A0A5K4FA04_SCHMA Loading...

Sortilin-related receptor

AlphaFold DB , UniProt , Accession A0A5K4FA04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.4	Very low	25.6	Very low	183 Å²	183	74.4 Å²	74.4	90%	0.901	40%	0.404	S	S	*	.				0	85.2	0	-164.4	-174	-70.8	0	0	107.8	T41	M1-T41 PolarHBondContact O-OG1 3.28Å
2	V	23	Very low	25.6	Very low	25 Å²	25	81.7 Å²	81.7	15%	0.152	44%	0.443	C	S	.	.			trans	-99.6	102.5	179	159.8	0	0	0	0	107.1	Q40 L130	V2-Q40 VanDerWaalsContact CG1-CD 3.43Å; V2-Q40 VanDerWaalsContact CG2-OE1 3.28Å; V2-L130 WeakPolarHBondContact O-CD1 3.02Å; V2-L130 WeakPolarHBondContact O-CD2 3.34Å
3	N	23.8	Very low	25.5	Very low	28 Å²	28	78.3 Å²	78.3	15%	0.15	44%	0.439	C	S	.	.			trans	-85.5	113.2	174.3	-72.9	-22.9	0	0	0	107.7	I5 R121	N3-I5 HydrophobicContact CB-CD1 4.19Å; N3-I5 HydrophobicContact CB-CG1 4.3Å; N3-I5 PolarHBondContact O-N 3.32Å; N3-R121 PolarHBondContact ND2-NH1 3.21Å
4	L	27.1	Very low	25.4	Very low	99 Å²	99	80.6 Å²	80.6	52%	0.518	44%	0.444	S	S	.	.			trans	-87.8	93.7	169	-145.9	120.7	0	0	0	106.6
5	I	25.9	Very low	25.7	Very low	53 Å²	53	78.5 Å²	78.5	27%	0.272	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-116.7	106.7	175.3	-62	171.2	0	0	0	107	N3 S7 R121	N3-I5 HydrophobicContact CB-CD1 4.19Å; N3-I5 HydrophobicContact CB-CG1 4.3Å; N3-I5 PolarHBondContact O-N 3.32Å; I5-S7 PolarHBondContact O-N 2.8Å; I5-R121 HydrophobicContact CD1-CB 4.06Å; I5-R121 HydrophobicContact CD1-CG 3.72Å
6	T	29.3	Very low	25.8	Very low	85 Å²	85	77.9 Å²	77.9	52%	0.521	42%	0.423	S	S	.	.			trans	-80.7	104.5	154.4	39.2	0	0	0	0	106.9	L8	T6-L8 PolarHBondContact O-N 2.71Å
7	S	27.1	Very low	25.9	Very low	21 Å²	21	75.3 Å²	75.3	15%	0.147	41%	0.411	C	S	.	.			trans	-68.9	113.5	171.5	45.9	0	0	0	0	108.8	I5 A18	I5-S7 PolarHBondContact O-N 2.8Å; S7-A18 WeakPolarHBondContact O-CB 2.95Å; S7-A18 PolarHBondContact O-N 3.13Å; S7-A18 WeakPolarHBondContact OG-CB 3.45Å
8	L	27	Very low	26.2	Very low	70 Å²	70	72.8 Å²	72.8	37%	0.366	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-110.6	115.7	172.2	-74.1	159.4	0	0	0	106.4	T6 P17 L337	T6-L8 PolarHBondContact O-N 2.71Å; L8-P17 HydrophobicContact CD2-CB 4.16Å; L8-L337 HydrophobicContact CD1-CD2 4.14Å; L8-L337 HydrophobicContact CD2-CD2 3.89Å
9	H	27	Very low	26.4	Very low	87 Å²	87	75.5 Å²	75.5	40%	0.403	41%	0.407	S	S	.	.			trans	-119.6	129.5	174.5	-107.5	-69.7	0	0	0	109.9	E16	H9-E16 PolarHBondContact N-O 3.33Å; H9-E16 VanDerWaalsContact O-O 3.06Å
10	T	23.4	Very low	26.6	Very low	59 Å²	59	72.9 Å²	72.9	36%	0.362	39%	0.392	S	S	.	.			trans	-77.5	123	168.6	-2.4	0	0	0	0	110.1	H15	T10-H15 HydrophobicContact CG2-CB 4.39Å; T10-H15 VanDerWaalsContact CG2-CD2 3.43Å; T10-H15 WeakPolarHBondContact CG2-CD2 3.35Å; T10-H15 VanDerWaalsContact CG2-CE1 3.41Å; T10-H15 WeakPolarHBondContact CG2-CE1 3.39Å; T10-H15 VanDerWaalsContact CG2-CG 3.47Å; T10-H15 WeakPolarHBondContact CG2-ND1 3.03Å; T10-H15 VanDerWaalsContact CG2-NE2 3.32Å; T10-H15 WeakPolarHBondContact CG2-NE2 3.38Å; T10-H15 PolarHBondContact OG1-CE1 2.82Å; T10-H15 PolarHBondContact OG1-ND1 3.09Å; T10-H15 PolarHBondContact OG1-NE2 2.67Å
11	V	24.2	Very low	26.8	Very low	108 Å²	108	75 Å²	75	66%	0.655	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-113.4	122.7	158	-177.4	0	0	0	0	106.4	G13 Q14	V11-G13 PolarHBondContact O-N 2.75Å; V11-Q14 PolarHBondContact O-N 3.5Å
12	N	25.4	Very low	26.9	Very low	162 Å²	162	70.2 Å²	70.2	87%	0.866	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	45	179.2	-63.3	-22.3	0	0	0	116.4	Q14	N12-Q14 PolarHBondContact O-N 2.85Å; N12-Q14 VanDerWaalsContact O-N 3.16Å
13	G	24.9	Very low	27.3	Very low	38 Å²	38	71 Å²	71	39%	0.392	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	6.3	174.4	0	0	0	0	0	114.7	V11 H343	V11-G13 PolarHBondContact O-N 2.75Å; G13-H343 PolarHBondContact O-CE1 2.79Å; G13-H343 PolarHBondContact O-NE2 3.38Å
14	Q	23.4	Very low	27.4	Very low	110 Å²	110	77.6 Å²	77.6	51%	0.514	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-110	110	169.1	-69.7	-164.1	-33.3	0	0	111	V11 N12 E16	V11-Q14 PolarHBondContact O-N 3.5Å; N12-Q14 PolarHBondContact O-N 2.85Å; N12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-E16 VanDerWaalsContact C-N 3.25Å; Q14-E16 PolarHBondContact O-N 3.16Å
15	H	30.9	Very low	27.3	Very low	50 Å²	50	78.8 Å²	78.8	23%	0.231	42%	0.422	C	S	.	.			trans	4.5	-27.2	155.3	-57.9	-80.8	0	0	0	125.6	T10 E315 R339 L341	T10-H15 HydrophobicContact CG2-CB 4.39Å; T10-H15 VanDerWaalsContact CG2-CD2 3.43Å; T10-H15 WeakPolarHBondContact CG2-CD2 3.35Å; T10-H15 VanDerWaalsContact CG2-CE1 3.41Å; T10-H15 WeakPolarHBondContact CG2-CE1 3.39Å; T10-H15 VanDerWaalsContact CG2-CG 3.47Å; T10-H15 WeakPolarHBondContact CG2-ND1 3.03Å; T10-H15 VanDerWaalsContact CG2-NE2 3.32Å; T10-H15 WeakPolarHBondContact CG2-NE2 3.38Å; T10-H15 PolarHBondContact OG1-CE1 2.82Å; T10-H15 PolarHBondContact OG1-ND1 3.09Å; T10-H15 PolarHBondContact OG1-NE2 2.67Å; H15-E315 IonicContact CD2-OE1 3.73Å; H15-E315 IonicContact NE2-OE1 3.08Å; H15-R339 PolarHBondContact O-NH1 3.42Å; H15-R339 PolarHBondContact O-NH2 2.96Å; H15-L341 HydrophobicContact CB-CD1 4.31Å; H15-L341 HydrophobicContact CB-CD2 4.39Å; H15-L341 HydrophobicContact CB-CG 4.36Å
16	E	26.4	Very low	27.2	Very low	68 Å²	68	80 Å²	80	32%	0.318	44%	0.44	S	S	.	.			trans	-53	140.3	-143.1	-88.1	-165.1	160.2	0	0	120.2	H9 Q14 Y19 R339	H9-E16 PolarHBondContact N-O 3.33Å; H9-E16 VanDerWaalsContact O-O 3.06Å; Q14-E16 VanDerWaalsContact C-N 3.25Å; Q14-E16 PolarHBondContact O-N 3.16Å; E16-Y19 HydrophobicContact CB-CD2 3.79Å; E16-Y19 HydrophobicContact CB-CE2 3.37Å; E16-Y19 VanDerWaalsContact CD-CZ 3.43Å; E16-Y19 HydrophobicContact CG-CD2 4.38Å; E16-Y19 HydrophobicContact CG-CE2 3.5Å; E16-Y19 VanDerWaalsContact CG-CE2 3.5Å; E16-Y19 PolarHBondContact OE1-OH 2.95Å; E16-Y19 WeakPolarHBondContact OE2-CE2 3.48Å; E16-Y19 VanDerWaalsContact OE2-CZ 3.29Å; E16-Y19 PolarHBondContact OE2-OH 3.12Å; E16-R339 VanDerWaalsContact CA-NH2 3.27Å
17	P	28.5	Very low	27.1	Very low	34 Å²	34	83.8 Å²	83.8	22%	0.221	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-71.9	144.6	-179.4	22.9	-15.3	0	0	0	107.6	L8 Y19	L8-P17 HydrophobicContact CD2-CB 4.16Å; P17-Y19 WeakPolarHBondContact O-CD2 3.32Å; P17-Y19 PolarHBondContact O-N 2.96Å
18	A	30.7	Very low	27.4	Very low	30 Å²	30	86.7 Å²	86.7	25%	0.248	47%	0.471	C	S	.	.			trans	-40.1	104	-172	0	0	0	0	0	112.6	S7	S7-A18 WeakPolarHBondContact O-CB 2.95Å; S7-A18 PolarHBondContact O-N 3.13Å; S7-A18 WeakPolarHBondContact OG-CB 3.45Å
19	Y	29.6	Very low	27.8	Very low	125 Å²	125	93.6 Å²	93.6	49%	0.49	49%	0.492	S	S	.	.			trans	-76.6	137.6	178.9	-86.8	-96.2	0	0	0	108.8	E16 P17 E21	E16-Y19 HydrophobicContact CB-CD2 3.79Å; E16-Y19 HydrophobicContact CB-CE2 3.37Å; E16-Y19 VanDerWaalsContact CD-CZ 3.43Å; E16-Y19 HydrophobicContact CG-CD2 4.38Å; E16-Y19 HydrophobicContact CG-CE2 3.5Å; E16-Y19 VanDerWaalsContact CG-CE2 3.5Å; E16-Y19 PolarHBondContact OE1-OH 2.95Å; E16-Y19 WeakPolarHBondContact OE2-CE2 3.48Å; E16-Y19 VanDerWaalsContact OE2-CZ 3.29Å; E16-Y19 PolarHBondContact OE2-OH 3.12Å; P17-Y19 WeakPolarHBondContact O-CD2 3.32Å; P17-Y19 PolarHBondContact O-N 2.96Å; Y19-E21 PolarHBondContact O-N 2.87Å
20	L	30.8	Very low	28.3	Very low	23 Å²	23	94.9 Å²	94.9	12%	0.12	50%	0.502	C	S	.	.			trans	-57.3	126.4	156.6	-70.1	150	0	0	0	107.8	T22 F34 I114 T115 Y116	L20-T22 PolarHBondContact O-N 2.87Å; L20-F34 HydrophobicContact CD1-CB 4.42Å; L20-F34 HydrophobicContact CD1-CD1 3.56Å; L20-F34 HydrophobicContact CD1-CE1 4.36Å; L20-F34 HydrophobicContact CD1-CG 4.46Å; L20-F34 WeakPolarHBondContact CD1-O 3.13Å; L20-F34 HydrophobicContact CD2-CD1 4.28Å; L20-F34 HydrophobicContact CD2-CE1 4.42Å; L20-I114 HydrophobicContact CD1-CG2 4.38Å; L20-I114 HydrophobicContact CD2-CG2 3.47Å; L20-I114 VanDerWaalsContact CD2-CG2 3.47Å; L20-I114 HydrophobicContact CG-CG2 4.46Å; L20-T115 CarbonylContact C-O 3.54Å; L20-T115 WeakPolarHBondContact CA-O 3.41Å; L20-T115 WeakPolarHBondContact CB-O 3.43Å; L20-T115 WeakPolarHBondContact CD2-O 3.38Å; L20-Y116 HydrophobicContact CD2-CD2 3.74Å; L20-Y116 HydrophobicContact CD2-CG 4.07Å; L20-Y116 HydrophobicContact CG-CD2 4.48Å
21	E	30.3	Very low	29	Very low	117 Å²	117	95 Å²	95	55%	0.547	50%	0.503	S	S	.	.	S	Bend	trans	-68.4	-10.6	-168.4	-132.3	172.3	-169.4	0	0	113.3	Y19 T115	Y19-E21 PolarHBondContact O-N 2.87Å; E21-T115 PolarHBondContact N-O 2.72Å; E21-T115 VanDerWaalsContact N-O 3.16Å
22	T	26.4	Very low	30	Very low	83 Å²	83	93.9 Å²	93.9	51%	0.509	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-151.4	117.2	165.7	53.3	0	0	0	0	112.5	L20 T115	L20-T22 PolarHBondContact O-N 2.87Å; T22-T115 PolarHBondContact N-OG1 3.08Å; T22-T115 PolarHBondContact OG1-OG1 2.79Å
23	N	30.6	Very low	31.5	Very low	41 Å²	41	87.6 Å²	87.6	22%	0.219	46%	0.461	C	S	.	.			trans	-155	37.2	146	-105.6	-24	0	0	0	110.9	I25 D113	N23-I25 VanDerWaalsContact C-N 3.28Å; N23-I25 PolarHBondContact O-N 3.41Å; N23-I25 VanDerWaalsContact O-N 3.08Å; N23-D113 PolarHBondContact ND2-O 3.42Å; N23-D113 PolarHBondContact OD1-O 3.39Å
24	M	26.2	Very low	32.9	Very low	167 Å²	167	86.2 Å²	86.2	82%	0.823	44%	0.444	S	S	*	.			trans	-81.9	78.9	166.7	-67.9	-153.8	-47	0	0	109.7	A26	M24-A26 VanDerWaalsContact C-N 3.25Å; M24-A26 PolarHBondContact O-N 3.45Å; M24-A26 VanDerWaalsContact O-N 3.12Å
25	I	24.5	Very low	34.5	Very low	123 Å²	123	85.9 Å²	85.9	63%	0.631	44%	0.438	S	S	*	.	S	Bend	trans	-74	94.9	150.4	-58.3	178.5	0	0	0	105.4	N23	N23-I25 VanDerWaalsContact C-N 3.28Å; N23-I25 PolarHBondContact O-N 3.41Å; N23-I25 VanDerWaalsContact O-N 3.08Å
26	A	25.3	Very low	35.6	Very low	80 Å²	80	84.7 Å²	84.7	66%	0.661	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	91.5	166	0	0	0	0	0	117.4	M24 D28	M24-A26 VanDerWaalsContact C-N 3.25Å; M24-A26 PolarHBondContact O-N 3.45Å; M24-A26 VanDerWaalsContact O-N 3.12Å; A26-D28 PolarHBondContact O-N 3.48Å
27	N	27.1	Very low	36.9	Very low	163 Å²	163	82.2 Å²	82.2	87%	0.872	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	10	150	-90	-7.1	0	0	0	120.7
28	D	33.2	Very low	38.1	Very low	82 Å²	82	80.9 Å²	80.9	44%	0.439	41%	0.413	S	S	.	.			trans	-109.7	111.8	177.9	-163.6	-11.8	0	0	0	109.7	A26 N30 T31	A26-D28 PolarHBondContact O-N 3.48Å; D28-N30 PolarHBondContact O-N 2.87Å; D28-N30 WeakPolarHBondContact OD1-CB 3.23Å; D28-N30 PolarHBondContact OD1-N 3Å; D28-N30 VanDerWaalsContact OD1-N 3.13Å; D28-N30 PolarHBondContact OD1-ND2 3.24Å; D28-N30 VanDerWaalsContact OD1-ND2 3.09Å; D28-T31 HydrophobicContact CB-CG2 4.25Å; D28-T31 PolarHBondContact O-N 2.9Å; D28-T31 PolarHBondContact O-OG1 2.95Å
29	R	35.3	Very low	39.1	Very low	216 Å²	216	79.7 Å²	79.7	82%	0.815	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-0.6	176.8	-71.8	-179.6	176.4	-177.8	-4.5	113.1
30	N	38.1	Very low	40.1	Very low	114 Å²	114	73.9 Å²	73.9	61%	0.61	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1.6	178.1	-66.1	-45.8	0	0	0	115.5	D28 K49	D28-N30 PolarHBondContact O-N 2.87Å; D28-N30 WeakPolarHBondContact OD1-CB 3.23Å; D28-N30 PolarHBondContact OD1-N 3Å; D28-N30 VanDerWaalsContact OD1-N 3.13Å; D28-N30 PolarHBondContact OD1-ND2 3.24Å; D28-N30 VanDerWaalsContact OD1-ND2 3.09Å; N30-K49 PolarHBondContact O-NZ 3.32Å
31	T	36.6	Very low	41.1	Very low	61 Å²	61	76 Å²	76	37%	0.374	39%	0.394	S	S	.	.			trans	-102.4	11.8	-173	53.7	0	0	0	0	116.3	D28 T33	D28-T31 HydrophobicContact CB-CG2 4.25Å; D28-T31 PolarHBondContact O-N 2.9Å; D28-T31 PolarHBondContact O-OG1 2.95Å; T31-T33 PolarHBondContact O-N 3.13Å; T31-T33 VanDerWaalsContact O-N 3.1Å
32	N	47	Very low	42.3	Very low	85 Å²	85	73.6 Å²	73.6	46%	0.455	39%	0.394	S	S	.	.			trans	-71.7	110.1	-179.9	-76.3	-18	0	0	0	112.3
33	T	55.5	Low	43.7	Very low	30 Å²	30	70.1 Å²	70.1	18%	0.184	37%	0.372	C	S	.	.			trans	-99.9	0.9	177.6	44.4	0	0	0	0	113.9	T31 W48	T31-T33 PolarHBondContact O-N 3.13Å; T31-T33 VanDerWaalsContact O-N 3.1Å; T33-W48 WeakPolarHBondContact O-CB 3.36Å
34	F	53.8	Low	45.2	Very low	9 Å²	9	68.1 Å²	68.1	4%	0.039	36%	0.362	C	S	.	.			trans	-157.1	127.9	173.2	-170.9	-100.1	0	0	0	109.6	L20 V36 M44 F46 E47 L61 I114	L20-F34 HydrophobicContact CD1-CB 4.42Å; L20-F34 HydrophobicContact CD1-CD1 3.56Å; L20-F34 HydrophobicContact CD1-CE1 4.36Å; L20-F34 HydrophobicContact CD1-CG 4.46Å; L20-F34 WeakPolarHBondContact CD1-O 3.13Å; L20-F34 HydrophobicContact CD2-CD1 4.28Å; L20-F34 HydrophobicContact CD2-CE1 4.42Å; F34-V36 HydrophobicContact CE1-CG2 4.24Å; F34-M44 HydrophobicContact CE1-CE 3.82Å; F34-M44 HydrophobicContact CZ-CE 3.89Å; F34-F46 HydrophobicContact CD2-CB 4.22Å; F34-F46 AromaticContact CD2-CD2 3.68Å; F34-F46 HydrophobicContact CD2-CD2 3.68Å; F34-F46 HydrophobicContact CD2-CE2 4.19Å; F34-F46 AromaticContact CD2-CG 3.98Å; F34-F46 HydrophobicContact CD2-CG 3.98Å; F34-F46 HydrophobicContact CE1-CB 4.11Å; F34-F46 HydrophobicContact CE1-CG 4.39Å; F34-F46 HydrophobicContact CE2-CB 3.61Å; F34-F46 AromaticContact CE2-CD1 3.59Å; F34-F46 HydrophobicContact CE2-CD1 3.59Å; F34-F46 AromaticContact CE2-CD2 3.14Å; F34-F46 HydrophobicContact CE2-CD2 3.14Å; F34-F46 AromaticContact CE2-CE1 3.94Å; F34-F46 HydrophobicContact CE2-CE1 3.94Å; F34-F46 AromaticContact CE2-CE2 3.55Å; F34-F46 HydrophobicContact CE2-CE2 3.55Å; F34-F46 AromaticContact CE2-CG 3.12Å; F34-F46 HydrophobicContact CE2-CG 3.12Å; F34-F46 AromaticContact CE2-CZ 3.88Å; F34-F46 HydrophobicContact CE2-CZ 3.88Å; F34-F46 HydrophobicContact CZ-CB 3.53Å; F34-F46 AromaticContact CZ-CD1 3.56Å; F34-F46 HydrophobicContact CZ-CD1 3.56Å; F34-F46 AromaticContact CZ-CD2 3.91Å; F34-F46 HydrophobicContact CZ-CD2 3.91Å; F34-F46 HydrophobicContact CZ-CE1 4.16Å; F34-F46 HydrophobicContact CZ-CE2 4.48Å; F34-F46 AromaticContact CZ-CG 3.37Å; F34-F46 HydrophobicContact CZ-CG 3.37Å; F34-E47 CarbonylContact C-O 3.48Å; F34-L61 HydrophobicContact CD2-CD1 3.93Å; F34-L61 HydrophobicContact CE2-CD1 3.37Å; F34-L61 HydrophobicContact CE2-CD2 3.9Å; F34-L61 HydrophobicContact CE2-CG 4.28Å; F34-L61 HydrophobicContact CZ-CD1 3.97Å; F34-L61 HydrophobicContact CZ-CD2 3.72Å; F34-I114 HydrophobicContact CB-CD1 3.87Å; F34-I114 HydrophobicContact CB-CG1 4.49Å; F34-I114 HydrophobicContact CD1-CD1 3.93Å; F34-I114 HydrophobicContact CD1-CG2 3.85Å; F34-I114 HydrophobicContact CD2-CD1 3.94Å; F34-I114 HydrophobicContact CE1-CD1 4.46Å; F34-I114 HydrophobicContact CE1-CG2 4.14Å; F34-I114 HydrophobicContact CE2-CD1 4.41Å; F34-I114 HydrophobicContact CG-CD1 3.68Å
35	R	57.4	Low	46.7	Very low	102 Å²	102	60.3 Å²	60.3	39%	0.385	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	123.6	178.1	179.5	-155.9	-174.7	175.7	-2.4	109.4	I37 F46 E47	R35-I37 HydrophobicContact CG-CG2 4.5Å; R35-I37 PolarHBondContact O-N 2.68Å; R35-F46 CarbonylContact O-C 3.41Å; R35-F46 WeakPolarHBondContact O-CA 2.93Å; R35-F46 WeakPolarHBondContact O-CB 2.79Å; R35-E47 HydrophobicContact CB-CG 3.77Å; R35-E47 WeakPolarHBondContact CD-OE1 3.5Å; R35-E47 HydrophobicContact CG-CG 4.35Å; R35-E47 IonicContact CZ-OE1 3.43Å; R35-E47 PolarHBondContact N-O 3.24Å; R35-E47 IonicContact NE-OE1 3.96Å; R35-E47 IonicContact NH1-OE1 3.47Å; R35-E47 PolarHBondContact NH1-OE1 3.47Å; R35-E47 PolarHBondContact O-N 2.92Å
36	V	55.6	Low	48.5	Very low	25 Å²	25	54.5 Å²	54.5	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.7	172.6	-170	0	0	0	0	109	F34 M44 Y116	F34-V36 HydrophobicContact CE1-CG2 4.24Å; V36-M44 HydrophobicContact CB-CE 4.04Å; V36-M44 HydrophobicContact CG1-CB 4.23Å; V36-M44 HydrophobicContact CG1-CE 3.81Å; V36-M44 HydrophobicContact CG2-CE 3.18Å; V36-Y116 HydrophobicContact CG2-CD2 3.95Å; V36-Y116 HydrophobicContact CG2-CE2 3.81Å
37	I	51.8	Low	50	Low	16 Å²	16	53.5 Å²	53.5	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-25.5	-176.3	51.3	175.3	0	0	0	111.9	R35 A45 F46 E47 M80 M333	R35-I37 HydrophobicContact CG-CG2 4.5Å; R35-I37 PolarHBondContact O-N 2.68Å; I37-A45 HydrophobicContact CD1-CB 4.18Å; I37-A45 VanDerWaalsContact CG1-C 3.42Å; I37-A45 HydrophobicContact CG1-CB 3.92Å; I37-A45 WeakPolarHBondContact CG1-O 3.34Å; I37-A45 PolarHBondContact N-O 3.1Å; I37-F46 VanDerWaalsContact CD1-C 3.5Å; I37-E47 HydrophobicContact CD1-CB 4.17Å; I37-E47 HydrophobicContact CG2-CB 3.94Å; I37-E47 HydrophobicContact CG2-CG 3.56Å; I37-M80 HydrophobicContact CD1-CG 3.99Å; I37-M80 HydrophobicContact CD1-SD 3.62Å; I37-M333 HydrophobicContact CB-CE 3.25Å; I37-M333 HydrophobicContact CB-SD 3.93Å; I37-M333 HydrophobicContact CD1-CE 3.18Å; I37-M333 HydrophobicContact CG1-CE 3.27Å; I37-M333 HydrophobicContact CG2-CE 4.29Å; I37-M333 VanDerWaalsContact O-SD 3.36Å
38	Q	53.9	Low	51.7	Low	6 Å²	6	46.5 Å²	46.5	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.7	171	-172.2	177.5	0.5	0	0	110.7	Q40 M44 A45	Q38-Q40 HydrophobicContact CG-CG 4.28Å; Q38-M44 CarbonylContact O-C 3.42Å; Q38-M44 VanDerWaalsContact O-CA 3.25Å; Q38-M44 WeakPolarHBondContact O-CA 3.27Å; Q38-A45 HydrophobicContact CB-CB 3.95Å; Q38-A45 PolarHBondContact N-O 2.57Å; Q38-A45 VanDerWaalsContact N-O 3.09Å; Q38-A45 PolarHBondContact O-N 3.31Å
39	E	51.7	Low	53	Low	5 Å²	5	48.4 Å²	48.4	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.3	174.2	-166	-158.7	130.7	0	0	109.9	I86 Y116 R118	E39-I86 HydrophobicContact CG-CD1 3.8Å; E39-I86 HydrophobicContact CG-CG2 4.32Å; E39-Y116 PolarHBondContact OE2-OH 2.81Å; E39-R118 WeakPolarHBondContact OE1-CG 3.29Å; E39-R118 IonicContact OE1-CZ 3.57Å; E39-R118 IonicContact OE1-NE 3.16Å; E39-R118 PolarHBondContact OE1-NE 3.37Å; E39-R118 IonicContact OE1-NH2 2.65Å; E39-R118 PolarHBondContact OE1-NH2 3.35Å
40	Q	51.7	Low	54	Low	3 Å²	3	41 Å²	41	1%	0.014	22%	0.221	C	C	.	.			trans	-106.2	-176.9	174.7	-66.4	-148.6	18.8	0	0	111.5	V2 Q38 A42 F43 I86 R121	V2-Q40 VanDerWaalsContact CG1-CD 3.43Å; V2-Q40 VanDerWaalsContact CG2-OE1 3.28Å; Q38-Q40 HydrophobicContact CG-CG 4.28Å; Q40-A42 VanDerWaalsContact C-N 3.32Å; Q40-F43 CarbonylContact C-O 3.6Å; Q40-F43 WeakPolarHBondContact CA-O 3.44Å; Q40-F43 HydrophobicContact CB-CD1 3.75Å; Q40-F43 HydrophobicContact CB-CD2 4.03Å; Q40-F43 HydrophobicContact CB-CE1 3.65Å; Q40-F43 HydrophobicContact CB-CE2 3.93Å; Q40-F43 HydrophobicContact CB-CG 3.97Å; Q40-F43 HydrophobicContact CB-CZ 3.78Å; Q40-F43 WeakPolarHBondContact CB-O 2.85Å; Q40-F43 HydrophobicContact CG-CD1 4.39Å; Q40-F43 HydrophobicContact CG-CD2 4.14Å; Q40-F43 HydrophobicContact CG-CE1 3.88Å; Q40-F43 HydrophobicContact CG-CE2 3.58Å; Q40-F43 HydrophobicContact CG-CZ 3.48Å; Q40-F43 VanDerWaalsContact CG-CZ 3.48Å; Q40-F43 PolarHBondContact N-O 2.76Å; Q40-I86 WeakPolarHBondContact O-CD1 3.3Å; Q40-R121 VanDerWaalsContact CA-NH2 3.3Å; Q40-R121 PolarHBondContact O-NH2 3.41Å
41	T	52	Low	55.2	Low	69 Å²	69	36.2 Å²	36.2	42%	0.423	20%	0.195	S	C	.	.	S	Bend	trans	-72.8	-33	-172.4	-36.7	0	0	0	0	111.2	M1 R121	M1-T41 PolarHBondContact O-OG1 3.28Å; T41-R121 VanDerWaalsContact CG2-NH1 3.34Å; T41-R121 PolarHBondContact OG1-NH1 2.65Å
42	A	54.3	Low	56.4	Low	66 Å²	66	38.4 Å²	38.4	55%	0.545	22%	0.219	S	C	.	.	S	Bend	trans	-129.2	15.6	-174.7	0	0	0	0	0	112.2	Q40 E84	Q40-A42 VanDerWaalsContact C-N 3.32Å; A42-E84 CarbonylContact C-O 3.55Å; A42-E84 VanDerWaalsContact C-O 3.3Å; A42-E84 CarbonylContact O-C 3.55Å; A42-E84 WeakPolarHBondContact O-CA 3.2Å
43	F	57.3	Low	57.2	Low	9 Å²	9	37.5 Å²	37.5	4%	0.039	21%	0.212	C	C	.	.			trans	-167.1	158.7	170.9	62.2	-88.5	0	0	0	114	Q40 L82 L83 I86 I165 M208	Q40-F43 CarbonylContact C-O 3.6Å; Q40-F43 WeakPolarHBondContact CA-O 3.44Å; Q40-F43 HydrophobicContact CB-CD1 3.75Å; Q40-F43 HydrophobicContact CB-CD2 4.03Å; Q40-F43 HydrophobicContact CB-CE1 3.65Å; Q40-F43 HydrophobicContact CB-CE2 3.93Å; Q40-F43 HydrophobicContact CB-CG 3.97Å; Q40-F43 HydrophobicContact CB-CZ 3.78Å; Q40-F43 WeakPolarHBondContact CB-O 2.85Å; Q40-F43 HydrophobicContact CG-CD1 4.39Å; Q40-F43 HydrophobicContact CG-CD2 4.14Å; Q40-F43 HydrophobicContact CG-CE1 3.88Å; Q40-F43 HydrophobicContact CG-CE2 3.58Å; Q40-F43 HydrophobicContact CG-CZ 3.48Å; Q40-F43 VanDerWaalsContact CG-CZ 3.48Å; Q40-F43 PolarHBondContact N-O 2.76Å; F43-L82 HydrophobicContact CD2-CD2 3.91Å; F43-L82 HydrophobicContact CE2-CD2 4.06Å; F43-L83 CarbonylContact C-O 3.55Å; F43-L83 WeakPolarHBondContact CA-O 3.37Å; F43-L83 WeakPolarHBondContact CB-O 3.41Å; F43-I86 VanDerWaalsContact C-CG1 3.47Å; F43-I86 WeakPolarHBondContact O-CD1 3.38Å; F43-I165 HydrophobicContact CE1-CD1 4.39Å; F43-I165 HydrophobicContact CE2-CD1 3.74Å; F43-I165 HydrophobicContact CZ-CD1 3.44Å; F43-I165 VanDerWaalsContact CZ-CD1 3.44Å; F43-M208 HydrophobicContact CB-CE 3.33Å; F43-M208 HydrophobicContact CB-SD 3.8Å; F43-M208 HydrophobicContact CD1-CE 3.82Å; F43-M208 HydrophobicContact CD1-SD 3.24Å; F43-M208 WeakPolarHBondContact CD1-SD 3.32Å; F43-M208 HydrophobicContact CD2-CE 4.3Å; F43-M208 HydrophobicContact CD2-SD 3.67Å; F43-M208 HydrophobicContact CE1-SD 3.45Å; F43-M208 WeakPolarHBondContact CE1-SD 3.23Å; F43-M208 HydrophobicContact CE2-SD 3.86Å; F43-M208 HydrophobicContact CG-CE 3.61Å; F43-M208 HydrophobicContact CG-SD 3.31Å; F43-M208 WeakPolarHBondContact CG-SD 3.47Å; F43-M208 HydrophobicContact CZ-SD 3.7Å
44	M	61	Low	57.6	Low	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.6	166.8	58.4	-175	-71.1	0	0	110.3	F34 V36 Q38 L82 L83 I86	F34-M44 HydrophobicContact CE1-CE 3.82Å; F34-M44 HydrophobicContact CZ-CE 3.89Å; V36-M44 HydrophobicContact CB-CE 4.04Å; V36-M44 HydrophobicContact CG1-CB 4.23Å; V36-M44 HydrophobicContact CG1-CE 3.81Å; V36-M44 HydrophobicContact CG2-CE 3.18Å; Q38-M44 CarbonylContact O-C 3.42Å; Q38-M44 VanDerWaalsContact O-CA 3.25Å; Q38-M44 WeakPolarHBondContact O-CA 3.27Å; M44-L82 WeakPolarHBondContact O-CA 3.12Å; M44-L83 HydrophobicContact CG-CB 3.69Å; M44-L83 HydrophobicContact CG-CD2 3.88Å; M44-L83 HydrophobicContact CG-CG 4.35Å; M44-L83 PolarHBondContact N-O 3.38Å; M44-L83 PolarHBondContact O-N 3.06Å; M44-L83 HydrophobicContact SD-CB 4.49Å; M44-L83 HydrophobicContact SD-CD2 3.61Å; M44-I86 HydrophobicContact CB-CD1 4.35Å; M44-I86 HydrophobicContact CB-CG1 4.25Å; M44-I86 HydrophobicContact CG-CG1 4.39Å; M44-I86 HydrophobicContact SD-CG2 4.48Å
45	A	58	Low	58.2	Low	3 Å²	3	47.6 Å²	47.6	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.1	163.2	0	0	0	0	0	108.6	I37 Q38 G81 L82	I37-A45 HydrophobicContact CD1-CB 4.18Å; I37-A45 VanDerWaalsContact CG1-C 3.42Å; I37-A45 HydrophobicContact CG1-CB 3.92Å; I37-A45 WeakPolarHBondContact CG1-O 3.34Å; I37-A45 PolarHBondContact N-O 3.1Å; Q38-A45 HydrophobicContact CB-CB 3.95Å; Q38-A45 PolarHBondContact N-O 2.57Å; Q38-A45 VanDerWaalsContact N-O 3.09Å; Q38-A45 PolarHBondContact O-N 3.31Å; A45-G81 WeakPolarHBondContact CA-O 3.31Å; A45-L82 HydrophobicContact CB-CD2 3.72Å
46	F	61.7	Low	58.5	Low	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.9	178.3	55.8	-96.3	0	0	0	109.8	F34 R35 I37 W48 L61 V75 M80 G81 L83	F34-F46 HydrophobicContact CD2-CB 4.22Å; F34-F46 AromaticContact CD2-CD2 3.68Å; F34-F46 HydrophobicContact CD2-CD2 3.68Å; F34-F46 HydrophobicContact CD2-CE2 4.19Å; F34-F46 AromaticContact CD2-CG 3.98Å; F34-F46 HydrophobicContact CD2-CG 3.98Å; F34-F46 HydrophobicContact CE1-CB 4.11Å; F34-F46 HydrophobicContact CE1-CG 4.39Å; F34-F46 HydrophobicContact CE2-CB 3.61Å; F34-F46 AromaticContact CE2-CD1 3.59Å; F34-F46 HydrophobicContact CE2-CD1 3.59Å; F34-F46 AromaticContact CE2-CD2 3.14Å; F34-F46 HydrophobicContact CE2-CD2 3.14Å; F34-F46 AromaticContact CE2-CE1 3.94Å; F34-F46 HydrophobicContact CE2-CE1 3.94Å; F34-F46 AromaticContact CE2-CE2 3.55Å; F34-F46 HydrophobicContact CE2-CE2 3.55Å; F34-F46 AromaticContact CE2-CG 3.12Å; F34-F46 HydrophobicContact CE2-CG 3.12Å; F34-F46 AromaticContact CE2-CZ 3.88Å; F34-F46 HydrophobicContact CE2-CZ 3.88Å; F34-F46 HydrophobicContact CZ-CB 3.53Å; F34-F46 AromaticContact CZ-CD1 3.56Å; F34-F46 HydrophobicContact CZ-CD1 3.56Å; F34-F46 AromaticContact CZ-CD2 3.91Å; F34-F46 HydrophobicContact CZ-CD2 3.91Å; F34-F46 HydrophobicContact CZ-CE1 4.16Å; F34-F46 HydrophobicContact CZ-CE2 4.48Å; F34-F46 AromaticContact CZ-CG 3.37Å; F34-F46 HydrophobicContact CZ-CG 3.37Å; R35-F46 CarbonylContact O-C 3.41Å; R35-F46 WeakPolarHBondContact O-CA 2.93Å; R35-F46 WeakPolarHBondContact O-CB 2.79Å; I37-F46 VanDerWaalsContact CD1-C 3.5Å; F46-W48 AromaticContact CD2-CE3 3.98Å; F46-W48 HydrophobicContact CD2-CE3 3.98Å; F46-W48 HydrophobicContact CD2-CZ3 4.47Å; F46-W48 AromaticContact CE2-CE3 3.37Å; F46-W48 HydrophobicContact CE2-CE3 3.37Å; F46-W48 AromaticContact CE2-CZ3 3.46Å; F46-W48 HydrophobicContact CE2-CZ3 3.46Å; F46-W48 VanDerWaalsContact CE2-CZ3 3.46Å; F46-W48 HydrophobicContact CZ-CE3 4.42Å; F46-W48 HydrophobicContact CZ-CZ3 4.14Å; F46-L61 HydrophobicContact CE1-CD2 4.19Å; F46-L61 HydrophobicContact CZ-CD2 4.48Å; F46-V75 HydrophobicContact CZ-CG2 3.87Å; F46-M80 CarbonylContact O-C 3.6Å; F46-M80 WeakPolarHBondContact O-CA 3.03Å; F46-G81 WeakPolarHBondContact CD1-O 3.4Å; F46-G81 VanDerWaalsContact CE2-CA 3.5Å; F46-G81 VanDerWaalsContact CZ-CA 3.49Å; F46-G81 PolarHBondContact N-O 2.85Å; F46-G81 PolarHBondContact O-N 2.98Å; F46-L83 HydrophobicContact CD1-CB 4.41Å; F46-L83 HydrophobicContact CE1-CB 3.95Å
47	E	57.1	Low	58.9	Low	59 Å²	59	44.8 Å²	44.8	28%	0.276	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.9	164.3	70.1	-173.7	-164.6	0	0	109.6	F34 R35 I37 N79 M80	F34-E47 CarbonylContact C-O 3.48Å; R35-E47 HydrophobicContact CB-CG 3.77Å; R35-E47 WeakPolarHBondContact CD-OE1 3.5Å; R35-E47 HydrophobicContact CG-CG 4.35Å; R35-E47 IonicContact CZ-OE1 3.43Å; R35-E47 PolarHBondContact N-O 3.24Å; R35-E47 IonicContact NE-OE1 3.96Å; R35-E47 IonicContact NH1-OE1 3.47Å; R35-E47 PolarHBondContact NH1-OE1 3.47Å; R35-E47 PolarHBondContact O-N 2.92Å; I37-E47 HydrophobicContact CD1-CB 4.17Å; I37-E47 HydrophobicContact CG2-CB 3.94Å; I37-E47 HydrophobicContact CG2-CG 3.56Å; E47-N79 CarbonylContact C-O 3.55Å; E47-N79 WeakPolarHBondContact CA-O 3.1Å; E47-N79 WeakPolarHBondContact CB-O 3.42Å; E47-M80 HydrophobicContact CB-CG 4.24Å
48	W	63.3	Low	59.5	Low	16 Å²	16	44.4 Å²	44.4	6%	0.061	25%	0.245	C	C	.	.			trans	-129.4	159	167.2	66.1	56.5	0	0	0	110.7	T33 F46 F56 V59 V75 G78 N79	T33-W48 WeakPolarHBondContact O-CB 3.36Å; F46-W48 AromaticContact CD2-CE3 3.98Å; F46-W48 HydrophobicContact CD2-CE3 3.98Å; F46-W48 HydrophobicContact CD2-CZ3 4.47Å; F46-W48 AromaticContact CE2-CE3 3.37Å; F46-W48 HydrophobicContact CE2-CE3 3.37Å; F46-W48 AromaticContact CE2-CZ3 3.46Å; F46-W48 HydrophobicContact CE2-CZ3 3.46Å; F46-W48 VanDerWaalsContact CE2-CZ3 3.46Å; F46-W48 HydrophobicContact CZ-CE3 4.42Å; F46-W48 HydrophobicContact CZ-CZ3 4.14Å; W48-F56 HydrophobicContact CZ2-CZ 4.01Å; W48-V59 HydrophobicContact CD2-CG2 4.31Å; W48-V59 HydrophobicContact CE3-CB 4.28Å; W48-V59 HydrophobicContact CE3-CG2 4.17Å; W48-V59 HydrophobicContact CH2-CB 3.5Å; W48-V59 HydrophobicContact CH2-CG2 3.62Å; W48-V59 HydrophobicContact CZ2-CB 4.23Å; W48-V59 HydrophobicContact CZ2-CG2 3.84Å; W48-V59 HydrophobicContact CZ3-CB 3.55Å; W48-V59 HydrophobicContact CZ3-CG1 4.14Å; W48-V59 HydrophobicContact CZ3-CG2 3.83Å; W48-V75 HydrophobicContact CE3-CG1 4.49Å; W48-V75 HydrophobicContact CH2-CB 3.24Å; W48-V75 HydrophobicContact CH2-CG1 3.02Å; W48-V75 HydrophobicContact CH2-CG2 4.47Å; W48-V75 WeakPolarHBondContact CH2-O 3.28Å; W48-V75 HydrophobicContact CZ2-CB 4.38Å; W48-V75 HydrophobicContact CZ2-CG1 3.83Å; W48-V75 HydrophobicContact CZ3-CB 3.53Å; W48-V75 HydrophobicContact CZ3-CG1 3.4Å; W48-V75 VanDerWaalsContact CZ3-CG1 3.4Å; W48-V75 HydrophobicContact CZ3-CG2 4.34Å; W48-G78 WeakPolarHBondContact CZ2-O 3.23Å; W48-G78 PolarHBondContact NE1-O 2.76Å; W48-N79 PolarHBondContact N-O 3.42Å
49	K	60.3	Low	60	Low	122 Å²	122	44.2 Å²	44.2	53%	0.53	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-87.3	129.8	162.1	-164.9	176.3	-178.9	-179.5	0	108	N30 M51	N30-K49 PolarHBondContact O-NZ 3.32Å; K49-M51 PolarHBondContact O-N 3.31Å
50	P	56.3	Low	60.8	Low	61 Å²	61	46.3 Å²	46.3	40%	0.396	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-50.6	134.6	-179.9	-28.2	34.6	0	0	0	111.1	A52 F56 N79	P50-A52 PolarHBondContact O-N 2.7Å; P50-F56 HydrophobicContact CB-CD1 4.38Å; P50-F56 HydrophobicContact CB-CE1 4.3Å; P50-N79 VanDerWaalsContact CD-OD1 3.23Å; P50-N79 WeakPolarHBondContact CD-OD1 3.48Å; P50-N79 WeakPolarHBondContact CG-OD1 3.33Å
51	M	64.2	Low	61.5	Low	13 Å²	13	46.2 Å²	46.2	6%	0.064	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.9	175.7	-61.8	-174.8	-175.7	0	0	108.4	K49 H53 F56 V59 A97 F109 Q110 Y112	K49-M51 PolarHBondContact O-N 3.31Å; M51-H53 PolarHBondContact O-N 3.04Å; M51-F56 HydrophobicContact CB-CD2 4.36Å; M51-V59 HydrophobicContact CE-CG1 4.04Å; M51-V59 HydrophobicContact CE-CG2 3.78Å; M51-V59 HydrophobicContact SD-CG2 4.44Å; M51-A97 HydrophobicContact CE-CB 4.1Å; M51-F109 HydrophobicContact CB-CE2 3.96Å; M51-F109 HydrophobicContact CB-CZ 4Å; M51-F109 HydrophobicContact SD-CE2 4.08Å; M51-F109 HydrophobicContact SD-CZ 4.06Å; M51-Q110 HydrophobicContact SD-CB 4.19Å; M51-Y112 HydrophobicContact CE-CD2 3.55Å; M51-Y112 HydrophobicContact CE-CE2 3.78Å; M51-Y112 HydrophobicContact CG-CE2 4.01Å; M51-Y112 HydrophobicContact SD-CD2 4.14Å; M51-Y112 HydrophobicContact SD-CE2 3.79Å
52	A	60.5	Low	62.3	Low	107 Å²	107	43.1 Å²	43.1	88%	0.884	23%	0.234	S	C	*	.	S	Bend	trans	-72.6	76.3	-177.9	0	0	0	0	0	110.8	P50	P50-A52 PolarHBondContact O-N 2.7Å
53	H	63.5	Low	62.8	Low	66 Å²	66	41 Å²	41	31%	0.306	21%	0.213	S	C	.	.			trans	-136.4	129.2	174.3	-166.8	-86.5	0	0	0	109.2	M51 D55 F56 F109	M51-H53 PolarHBondContact O-N 3.04Å; H53-D55 IonicContact CE1-OD2 3.83Å; H53-D55 PolarHBondContact ND1-N 2.85Å; H53-D55 PolarHBondContact O-N 3.31Å; H53-F56 HydrophobicContact CB-CB 4.33Å; H53-F56 WeakPolarHBondContact O-CB 3.46Å; H53-F56 PolarHBondContact O-N 3.45Å; H53-F109 HydrophobicContact CB-CD2 3.79Å; H53-F109 HydrophobicContact CB-CE1 4.26Å; H53-F109 HydrophobicContact CB-CE2 3.45Å; H53-F109 VanDerWaalsContact CB-CE2 3.45Å; H53-F109 HydrophobicContact CB-CG 4.39Å; H53-F109 HydrophobicContact CB-CZ 3.71Å; H53-F109 AromaticContact CD2-CD2 3.67Å; H53-F109 AromaticContact CD2-CG 3.87Å; H53-F109 AromaticContact CG-CD2 3.71Å; H53-F109 AromaticContact CG-CE2 3.89Å; H53-F109 AromaticContact CG-CG 3.92Å
54	K	65.5	Low	63.1	Low	186 Å²	186	43.9 Å²	43.9	81%	0.809	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	-175.2	60.9	174.1	-173.2	177.1	0	114.4
55	D	66.2	Low	62.8	Low	66 Å²	66	47 Å²	47	35%	0.353	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	21.1	-179.3	-47.8	-50.5	0	0	0	111.9	H53 N57 N101	H53-D55 IonicContact CE1-OD2 3.83Å; H53-D55 PolarHBondContact ND1-N 2.85Å; H53-D55 PolarHBondContact O-N 3.31Å; D55-N57 PolarHBondContact O-N 3.1Å; D55-N101 HydrophobicContact CB-CB 3.83Å; D55-N101 WeakPolarHBondContact O-CA 3.46Å; D55-N101 WeakPolarHBondContact O-CB 3.46Å
56	F	62.9	Low	62.1	Low	19 Å²	19	57 Å²	57	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	132.1	175.6	170.2	-112.2	0	0	0	110.3	W48 P50 M51 H53 V59 E77 F109	W48-F56 HydrophobicContact CZ2-CZ 4.01Å; P50-F56 HydrophobicContact CB-CD1 4.38Å; P50-F56 HydrophobicContact CB-CE1 4.3Å; M51-F56 HydrophobicContact CB-CD2 4.36Å; H53-F56 HydrophobicContact CB-CB 4.33Å; H53-F56 WeakPolarHBondContact O-CB 3.46Å; H53-F56 PolarHBondContact O-N 3.45Å; F56-V59 HydrophobicContact CE2-CG2 3.52Å; F56-V59 HydrophobicContact CZ-CG2 3.79Å; F56-E77 HydrophobicContact CD1-CG 3.77Å; F56-E77 HydrophobicContact CE1-CB 4.49Å; F56-E77 HydrophobicContact CE1-CG 3.84Å; F56-F109 HydrophobicContact CB-CZ 4.32Å; F56-F109 HydrophobicContact CD2-CE1 4.08Å; F56-F109 AromaticContact CD2-CZ 3.74Å; F56-F109 HydrophobicContact CD2-CZ 3.74Å
57	N	64.6	Low	60.9	Low	49 Å²	49	64.6 Å²	64.6	26%	0.262	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	-44.9	176.3	-171.2	-50.5	0	0	0	112.8	D55 E77 H100 G102	D55-N57 PolarHBondContact O-N 3.1Å; N57-E77 WeakPolarHBondContact CA-OE1 3.15Å; N57-E77 WeakPolarHBondContact O-CA 3.44Å; N57-E77 WeakPolarHBondContact O-CB 3.46Å; N57-E77 WeakPolarHBondContact O-CG 3.15Å; N57-E77 PolarHBondContact O-N 3.14Å; N57-H100 PolarHBondContact N-O 3.24Å; N57-G102 WeakPolarHBondContact ND2-CA 3.39Å
58	Y	63	Low	60.1	Low	7 Å²	7	73.1 Å²	73.1	3%	0.027	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.2	-178.8	63.9	-99.9	0	0	0	111.3	F60 K74 V75 Y76 H100 F106	Y58-F60 HydrophobicContact CD2-CD2 4.1Å; Y58-F60 HydrophobicContact CD2-CE2 4.1Å; Y58-F60 AromaticContact CE2-CD2 3.51Å; Y58-F60 HydrophobicContact CE2-CD2 3.51Å; Y58-F60 AromaticContact CE2-CE2 3.24Å; Y58-F60 HydrophobicContact CE2-CE2 3.24Å; Y58-F60 HydrophobicContact CE2-CG 4.46Å; Y58-F60 HydrophobicContact CE2-CZ 4.03Å; Y58-F60 AromaticContact CZ-CE2 3.97Å; Y58-K74 VanDerWaalsContact CD1-CE 3.4Å; Y58-K74 HydrophobicContact CD2-CD 4.26Å; Y58-K74 HydrophobicContact CD2-CG 3.87Å; Y58-K74 VanDerWaalsContact CE1-CE 3.43Å; Y58-K74 HydrophobicContact CE2-CD 4.37Å; Y58-K74 VanDerWaalsContact CE2-CE 3.44Å; Y58-K74 HydrophobicContact CE2-CG 4.32Å; Y58-K74 HydrophobicContact CG-CG 4.28Å; Y58-K74 VanDerWaalsContact CZ-CE 3.45Å; Y58-V75 CarbonylContact C-O 3.56Å; Y58-V75 WeakPolarHBondContact CA-O 3.48Å; Y58-V75 WeakPolarHBondContact CB-O 3.11Å; Y58-Y76 HydrophobicContact CD1-CD1 4.46Å; Y58-Y76 HydrophobicContact CD1-CE1 4.31Å; Y58-H100 HydrophobicContact CD1-CB 4.46Å; Y58-H100 HydrophobicContact CD2-CB 3.95Å; Y58-H100 HydrophobicContact CE1-CB 3.94Å; Y58-H100 HydrophobicContact CE2-CB 3.32Å; Y58-H100 AromaticContact CE2-CD2 3.56Å; Y58-H100 AromaticContact CE2-CG 3.47Å; Y58-H100 VanDerWaalsContact CE2-CG 3.47Å; Y58-H100 HydrophobicContact CG-CB 4.46Å; Y58-H100 AromaticContact CZ-CG 3.75Å; Y58-H100 PolarHBondContact N-O 2.85Å; Y58-H100 PolarHBondContact O-N 3.29Å; Y58-F106 HydrophobicContact CE1-CD1 4.32Å; Y58-F106 WeakPolarHBondContact OH-CD1 3.4Å
59	V	65.6	Low	59.1	Low	2 Å²	2	75.9 Å²	75.9	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135	170.6	-178.6	0	0	0	0	108.8	W48 M51 F56 V75 A97 E98	W48-V59 HydrophobicContact CD2-CG2 4.31Å; W48-V59 HydrophobicContact CE3-CB 4.28Å; W48-V59 HydrophobicContact CE3-CG2 4.17Å; W48-V59 HydrophobicContact CH2-CB 3.5Å; W48-V59 HydrophobicContact CH2-CG2 3.62Å; W48-V59 HydrophobicContact CZ2-CB 4.23Å; W48-V59 HydrophobicContact CZ2-CG2 3.84Å; W48-V59 HydrophobicContact CZ3-CB 3.55Å; W48-V59 HydrophobicContact CZ3-CG1 4.14Å; W48-V59 HydrophobicContact CZ3-CG2 3.83Å; M51-V59 HydrophobicContact CE-CG1 4.04Å; M51-V59 HydrophobicContact CE-CG2 3.78Å; M51-V59 HydrophobicContact SD-CG2 4.44Å; F56-V59 HydrophobicContact CE2-CG2 3.52Å; F56-V59 HydrophobicContact CZ-CG2 3.79Å; V59-V75 PolarHBondContact N-O 3.37Å; V59-V75 PolarHBondContact O-N 3.04Å; V59-A97 HydrophobicContact CG1-CB 3.76Å; V59-E98 CarbonylContact C-O 3.52Å; V59-E98 VanDerWaalsContact CA-O 3.23Å; V59-E98 WeakPolarHBondContact CA-O 3.28Å
60	F	68.4	Low	58.7	Low	50 Å²	50	74.4 Å²	74.4	22%	0.219	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.5	158.6	-80.3	-72.2	0	0	0	109.1	Y58 V62 A73 K74 A97 E98 H100	Y58-F60 HydrophobicContact CD2-CD2 4.1Å; Y58-F60 HydrophobicContact CD2-CE2 4.1Å; Y58-F60 AromaticContact CE2-CD2 3.51Å; Y58-F60 HydrophobicContact CE2-CD2 3.51Å; Y58-F60 AromaticContact CE2-CE2 3.24Å; Y58-F60 HydrophobicContact CE2-CE2 3.24Å; Y58-F60 HydrophobicContact CE2-CG 4.46Å; Y58-F60 HydrophobicContact CE2-CZ 4.03Å; Y58-F60 AromaticContact CZ-CE2 3.97Å; F60-V62 HydrophobicContact CB-CG2 4.21Å; F60-A73 WeakPolarHBondContact CA-O 3.37Å; F60-K74 HydrophobicContact CD1-CB 3.79Å; F60-K74 HydrophobicContact CD1-CG 4.02Å; F60-K74 HydrophobicContact CE1-CB 3.39Å; F60-K74 HydrophobicContact CE1-CD 3.91Å; F60-K74 HydrophobicContact CE1-CG 3.56Å; F60-K74 HydrophobicContact CE2-CD 4.49Å; F60-K74 HydrophobicContact CE2-CG 4.42Å; F60-K74 HydrophobicContact CZ-CB 4.1Å; F60-K74 HydrophobicContact CZ-CD 3.71Å; F60-K74 HydrophobicContact CZ-CG 3.76Å; F60-A97 CarbonylContact O-C 3.39Å; F60-A97 WeakPolarHBondContact O-CA 3.46Å; F60-E98 HydrophobicContact CB-CB 4.34Å; F60-E98 PolarHBondContact N-O 3.44Å; F60-E98 PolarHBondContact O-N 3.16Å; F60-H100 AromaticContact CD2-CD2 3.6Å; F60-H100 AromaticContact CD2-NE2 3.49Å; F60-H100 WeakPolarHBondContact CD2-NE2 3.43Å
61	L	65.7	Low	58.5	Low	1 Å²	1	74 Å²	74	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.7	165.1	-147.4	89.3	0	0	0	108.2	F34 F46 T72 A73 L83 Y95 R96 A97 I114	F34-L61 HydrophobicContact CD2-CD1 3.93Å; F34-L61 HydrophobicContact CE2-CD1 3.37Å; F34-L61 HydrophobicContact CE2-CD2 3.9Å; F34-L61 HydrophobicContact CE2-CG 4.28Å; F34-L61 HydrophobicContact CZ-CD1 3.97Å; F34-L61 HydrophobicContact CZ-CD2 3.72Å; F46-L61 HydrophobicContact CE1-CD2 4.19Å; F46-L61 HydrophobicContact CZ-CD2 4.48Å; L61-T72 WeakPolarHBondContact O-CA 3.42Å; L61-A73 PolarHBondContact N-O 2.79Å; L61-A73 PolarHBondContact O-N 3.13Å; L61-L83 HydrophobicContact CB-CD1 4.21Å; L61-L83 HydrophobicContact CD2-CB 4.44Å; L61-L83 HydrophobicContact CD2-CD1 3.79Å; L61-L83 HydrophobicContact CD2-CD2 3.48Å; L61-L83 VanDerWaalsContact CD2-CD2 3.48Å; L61-L83 HydrophobicContact CD2-CG 4.11Å; L61-Y95 HydrophobicContact CD2-CD1 4.08Å; L61-Y95 HydrophobicContact CD2-CG 4.37Å; L61-R96 CarbonylContact C-O 3.56Å; L61-R96 WeakPolarHBondContact CA-O 3.47Å; L61-A97 HydrophobicContact CD1-CB 3.92Å; L61-I114 HydrophobicContact CD1-CD1 3.94Å
62	V	68.5	Low	58.2	Low	4 Å²	4	77 Å²	77	2%	0.024	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.9	-176.5	-173.1	0	0	0	0	107.8	F60 D70 T72 Y95 R96 E98	F60-V62 HydrophobicContact CB-CG2 4.21Å; V62-D70 HydrophobicContact CG1-CB 3.81Å; V62-T72 HydrophobicContact CB-CG2 4.35Å; V62-T72 HydrophobicContact CG1-CG2 4.11Å; V62-T72 HydrophobicContact CG2-CG2 3.98Å; V62-Y95 CarbonylContact O-C 3.3Å; V62-Y95 WeakPolarHBondContact O-CA 3.16Å; V62-R96 HydrophobicContact CB-CB 4.23Å; V62-R96 PolarHBondContact N-O 2.98Å; V62-R96 PolarHBondContact O-N 2.82Å; V62-E98 HydrophobicContact CG2-CG 4.21Å
63	Q	65.5	Low	58	Low	22 Å²	22	72.7 Å²	72.7	10%	0.103	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.7	169	-170.6	177.6	11.2	0	0	109.7	V65 V71 Y95	Q63-V65 HydrophobicContact CB-CG2 4.37Å; Q63-V65 HydrophobicContact CG-CG2 4.1Å; Q63-V65 PolarHBondContact O-N 3.31Å; Q63-V65 VanDerWaalsContact O-N 3.07Å; Q63-V71 HydrophobicContact CB-CB 4.47Å; Q63-V71 PolarHBondContact N-O 3.06Å; Q63-Y95 HydrophobicContact CB-CD1 3.59Å; Q63-Y95 HydrophobicContact CB-CE1 3.52Å; Q63-Y95 HydrophobicContact CG-CD1 3.76Å; Q63-Y95 HydrophobicContact CG-CE1 3.39Å
64	D	62.2	Low	57.7	Low	68 Å²	68	72.7 Å²	72.7	36%	0.364	35%	0.348	S	S	.	.			trans	-77	95.1	172.8	-72.4	-23.5	0	0	0	109	K94 R96	D64-K94 PolarHBondContact N-O 2.88Å; D64-K94 VanDerWaalsContact N-O 3.15Å; D64-R96 IonicContact OD1-CZ 2.76Å; D64-R96 IonicContact OD1-NE 3.7Å; D64-R96 PolarHBondContact OD1-NE 2.74Å; D64-R96 IonicContact OD1-NH2 3.92Å; D64-R96 PolarHBondContact OD1-NH2 2.78Å; D64-R96 IonicContact OD2-NE 3.2Å; D64-R96 PolarHBondContact OD2-NE 3.07Å
65	V	55.4	Low	57.2	Low	66 Å²	66	64.4 Å²	64.4	40%	0.4	31%	0.313	S	S	.	.			trans	-90.9	126.9	174.3	-165.5	0	0	0	0	108.9	Q63 F67 V71	Q63-V65 HydrophobicContact CB-CG2 4.37Å; Q63-V65 HydrophobicContact CG-CG2 4.1Å; Q63-V65 PolarHBondContact O-N 3.31Å; Q63-V65 VanDerWaalsContact O-N 3.07Å; V65-F67 PolarHBondContact O-N 2.75Å; V65-F67 VanDerWaalsContact O-N 3.1Å; V65-V71 HydrophobicContact CG2-CG2 4.23Å
66	Y	44.5	Very low	56.6	Low	214 Å²	214	65.5 Å²	65.5	84%	0.839	31%	0.313	S	S	*	.	S	Bend	trans	-62.5	115.7	176	-121.8	-94.7	0	0	0	108.7
67	F	36.5	Very low	56.2	Low	158 Å²	158	70 Å²	70	69%	0.693	33%	0.334	S	S	*	.	S	Bend	trans	79.4	96.8	-176.9	-69.2	-94.9	0	0	0	116.6	V65	V65-F67 PolarHBondContact O-N 2.75Å; V65-F67 VanDerWaalsContact O-N 3.1Å
68	W	39	Very low	55.5	Low	239 Å²	239	68.1 Å²	68.1	91%	0.905	33%	0.327	S	S	*	.	S	Bend	trans	79.7	9.6	144.9	-64.8	87.9	0	0	0	122.9
69	S	42.9	Very low	55.3	Low	73 Å²	73	71.6 Å²	71.6	51%	0.51	35%	0.346	S	S	.	.			trans	-158.2	117.7	160.8	56.6	0	0	0	0	112.3	V71	S69-V71 PolarHBondContact O-N 3.42Å
70	D	50.8	Low	54.8	Low	91 Å²	91	72 Å²	72	49%	0.487	35%	0.348	S	S	.	.			trans	-65.3	116.5	166	-74.7	-3.8	0	0	0	108.3	V62 T72 R96	V62-D70 HydrophobicContact CG1-CB 3.81Å; D70-T72 HydrophobicContact CB-CG2 4.09Å; D70-T72 PolarHBondContact O-N 3.35Å; D70-R96 IonicContact OD2-NH2 2.88Å
71	V	53	Low	54.3	Low	53 Å²	53	70 Å²	70	32%	0.321	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.8	168	-177.3	0	0	0	0	106.7	Q63 V65 S69 A85	Q63-V71 HydrophobicContact CB-CB 4.47Å; Q63-V71 PolarHBondContact N-O 3.06Å; V65-V71 HydrophobicContact CG2-CG2 4.23Å; S69-V71 PolarHBondContact O-N 3.42Å; V71-A85 HydrophobicContact CB-CB 4.39Å; V71-A85 HydrophobicContact CG1-CB 3.96Å
72	T	57	Low	54	Low	76 Å²	76	71.3 Å²	71.3	47%	0.466	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.6	-175.6	55.9	0	0	0	0	110.7	L61 V62 D70	L61-T72 WeakPolarHBondContact O-CA 3.42Å; V62-T72 HydrophobicContact CB-CG2 4.35Å; V62-T72 HydrophobicContact CG1-CG2 4.11Å; V62-T72 HydrophobicContact CG2-CG2 3.98Å; D70-T72 HydrophobicContact CB-CG2 4.09Å; D70-T72 PolarHBondContact O-N 3.35Å
73	A	56.6	Low	53.9	Low	17 Å²	17	71.1 Å²	71.1	14%	0.14	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.7	166.9	0	0	0	0	0	108.6	F60 L61 V75 L83	F60-A73 WeakPolarHBondContact CA-O 3.37Å; L61-A73 PolarHBondContact N-O 2.79Å; L61-A73 PolarHBondContact O-N 3.13Å; A73-V75 HydrophobicContact CB-CG2 4.33Å; A73-L83 HydrophobicContact CB-CD1 3.65Å
74	K	57.9	Low	53.5	Low	65 Å²	65	74.5 Å²	74.5	28%	0.283	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.5	170.2	-163.2	177.5	-179.6	-175.9	0	109	Y58 F60 Y76	Y58-K74 VanDerWaalsContact CD1-CE 3.4Å; Y58-K74 HydrophobicContact CD2-CD 4.26Å; Y58-K74 HydrophobicContact CD2-CG 3.87Å; Y58-K74 VanDerWaalsContact CE1-CE 3.43Å; Y58-K74 HydrophobicContact CE2-CD 4.37Å; Y58-K74 VanDerWaalsContact CE2-CE 3.44Å; Y58-K74 HydrophobicContact CE2-CG 4.32Å; Y58-K74 HydrophobicContact CG-CG 4.28Å; Y58-K74 VanDerWaalsContact CZ-CE 3.45Å; F60-K74 HydrophobicContact CD1-CB 3.79Å; F60-K74 HydrophobicContact CD1-CG 4.02Å; F60-K74 HydrophobicContact CE1-CB 3.39Å; F60-K74 HydrophobicContact CE1-CD 3.91Å; F60-K74 HydrophobicContact CE1-CG 3.56Å; F60-K74 HydrophobicContact CE2-CD 4.49Å; F60-K74 HydrophobicContact CE2-CG 4.42Å; F60-K74 HydrophobicContact CZ-CB 4.1Å; F60-K74 HydrophobicContact CZ-CD 3.71Å; F60-K74 HydrophobicContact CZ-CG 3.76Å; K74-Y76 HydrophobicContact CD-CE1 4.38Å; K74-Y76 HydrophobicContact CD-CE2 4.04Å; K74-Y76 WeakPolarHBondContact CD-OH 3.2Å; K74-Y76 WeakPolarHBondContact CE-OH 3.09Å; K74-Y76 HydrophobicContact CG-CE2 4.27Å; K74-Y76 PolarHBondContact NZ-OH 3.3Å
75	V	55	Low	53.4	Low	12 Å²	12	72.3 Å²	72.3	7%	0.073	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.2	-178.4	-177.1	0	0	0	0	108.7	F46 W48 Y58 V59 A73 M80	F46-V75 HydrophobicContact CZ-CG2 3.87Å; W48-V75 HydrophobicContact CE3-CG1 4.49Å; W48-V75 HydrophobicContact CH2-CB 3.24Å; W48-V75 HydrophobicContact CH2-CG1 3.02Å; W48-V75 HydrophobicContact CH2-CG2 4.47Å; W48-V75 WeakPolarHBondContact CH2-O 3.28Å; W48-V75 HydrophobicContact CZ2-CB 4.38Å; W48-V75 HydrophobicContact CZ2-CG1 3.83Å; W48-V75 HydrophobicContact CZ3-CB 3.53Å; W48-V75 HydrophobicContact CZ3-CG1 3.4Å; W48-V75 VanDerWaalsContact CZ3-CG1 3.4Å; W48-V75 HydrophobicContact CZ3-CG2 4.34Å; Y58-V75 CarbonylContact C-O 3.56Å; Y58-V75 WeakPolarHBondContact CA-O 3.48Å; Y58-V75 WeakPolarHBondContact CB-O 3.11Å; V59-V75 PolarHBondContact N-O 3.37Å; V59-V75 PolarHBondContact O-N 3.04Å; A73-V75 HydrophobicContact CB-CG2 4.33Å; V75-M80 WeakPolarHBondContact CG1-O 3.49Å
76	Y	54.3	Low	53.6	Low	89 Å²	89	70.1 Å²	70.1	35%	0.349	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	168.7	-176.7	-68.6	-87.7	0	0	0	111.7	Y58 K74 G78	Y58-Y76 HydrophobicContact CD1-CD1 4.46Å; Y58-Y76 HydrophobicContact CD1-CE1 4.31Å; K74-Y76 HydrophobicContact CD-CE1 4.38Å; K74-Y76 HydrophobicContact CD-CE2 4.04Å; K74-Y76 WeakPolarHBondContact CD-OH 3.2Å; K74-Y76 WeakPolarHBondContact CE-OH 3.09Å; K74-Y76 HydrophobicContact CG-CE2 4.27Å; K74-Y76 PolarHBondContact NZ-OH 3.3Å; Y76-G78 PolarHBondContact O-N 2.81Å
77	E	52.7	Low	54.4	Low	113 Å²	113	60.4 Å²	60.4	53%	0.528	30%	0.304	S	S	.	.	S	Bend	trans	-38.6	-0.1	-174.2	-118.1	176.3	-113.5	0	0	119	F56 N57	F56-E77 HydrophobicContact CD1-CG 3.77Å; F56-E77 HydrophobicContact CE1-CB 4.49Å; F56-E77 HydrophobicContact CE1-CG 3.84Å; N57-E77 WeakPolarHBondContact CA-OE1 3.15Å; N57-E77 WeakPolarHBondContact O-CA 3.44Å; N57-E77 WeakPolarHBondContact O-CB 3.46Å; N57-E77 WeakPolarHBondContact O-CG 3.15Å; N57-E77 PolarHBondContact O-N 3.14Å
78	G	50.7	Low	55.6	Low	11 Å²	11	58.6 Å²	58.6	11%	0.113	30%	0.298	C	S	.	.	S	Bend	trans	-68.7	156.2	166.5	0	0	0	0	0	112.6	W48 Y76 M80	W48-G78 WeakPolarHBondContact CZ2-O 3.23Å; W48-G78 PolarHBondContact NE1-O 2.76Å; Y76-G78 PolarHBondContact O-N 2.81Å; G78-M80 PolarHBondContact O-N 2.87Å
79	N	59.2	Low	56.5	Low	79 Å²	79	49.5 Å²	49.5	42%	0.422	27%	0.27	S	S	.	.	S	Bend	trans	-74.5	15.6	177.2	-62.7	-37.8	0	0	0	113.1	E47 W48 P50	E47-N79 CarbonylContact C-O 3.55Å; E47-N79 WeakPolarHBondContact CA-O 3.1Å; E47-N79 WeakPolarHBondContact CB-O 3.42Å; W48-N79 PolarHBondContact N-O 3.42Å; P50-N79 VanDerWaalsContact CD-OD1 3.23Å; P50-N79 WeakPolarHBondContact CD-OD1 3.48Å; P50-N79 WeakPolarHBondContact CG-OD1 3.33Å
80	M	54.3	Low	57.2	Low	12 Å²	12	48.3 Å²	48.3	6%	0.059	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.8	-171.3	-72.6	-166.3	-74	0	0	113.4	I37 F46 E47 V75 G78 Q168 F171 L210	I37-M80 HydrophobicContact CD1-CG 3.99Å; I37-M80 HydrophobicContact CD1-SD 3.62Å; F46-M80 CarbonylContact O-C 3.6Å; F46-M80 WeakPolarHBondContact O-CA 3.03Å; E47-M80 HydrophobicContact CB-CG 4.24Å; V75-M80 WeakPolarHBondContact CG1-O 3.49Å; G78-M80 PolarHBondContact O-N 2.87Å; M80-Q168 HydrophobicContact CE-CB 4.33Å; M80-Q168 HydrophobicContact CE-CG 3.95Å; M80-Q168 HydrophobicContact SD-CG 4.26Å; M80-Q168 PolarHBondContact SD-NE2 2.95Å; M80-Q168 PolarHBondContact SD-OE1 2.85Å; M80-Q168 VanDerWaalsContact SD-OE1 3.36Å; M80-F171 HydrophobicContact CE-CB 3.59Å; M80-F171 HydrophobicContact CE-CD1 4.41Å; M80-F171 HydrophobicContact CE-CD2 3.65Å; M80-F171 HydrophobicContact CE-CE2 4.46Å; M80-F171 HydrophobicContact CE-CG 3.66Å; M80-L210 HydrophobicContact CB-CD2 4.47Å; M80-L210 HydrophobicContact CE-CD1 4.3Å
81	G	59.6	Low	57.8	Low	7 Å²	7	49.8 Å²	49.8	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	168.3	171	0	0	0	0	0	113.7	A45 F46	A45-G81 WeakPolarHBondContact CA-O 3.31Å; F46-G81 WeakPolarHBondContact CD1-O 3.4Å; F46-G81 VanDerWaalsContact CE2-CA 3.5Å; F46-G81 VanDerWaalsContact CZ-CA 3.49Å; F46-G81 PolarHBondContact N-O 2.85Å; F46-G81 PolarHBondContact O-N 2.98Å
82	L	59.3	Low	58.4	Low	28 Å²	28	50.6 Å²	50.6	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.8	172.2	-67.3	166.6	0	0	0	108.2	F43 M44 A45 A173 M208	F43-L82 HydrophobicContact CD2-CD2 3.91Å; F43-L82 HydrophobicContact CE2-CD2 4.06Å; M44-L82 WeakPolarHBondContact O-CA 3.12Å; A45-L82 HydrophobicContact CB-CD2 3.72Å; L82-A173 HydrophobicContact CD1-CB 4.23Å; L82-M208 HydrophobicContact CD1-CB 3.78Å; L82-M208 HydrophobicContact CD1-SD 4.36Å
83	L	64.8	Low	58.9	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119	175.2	-175.5	73.3	0	0	0	108.9	F43 M44 F46 L61 A73 A85 Y95	F43-L83 CarbonylContact C-O 3.55Å; F43-L83 WeakPolarHBondContact CA-O 3.37Å; F43-L83 WeakPolarHBondContact CB-O 3.41Å; M44-L83 HydrophobicContact CG-CB 3.69Å; M44-L83 HydrophobicContact CG-CD2 3.88Å; M44-L83 HydrophobicContact CG-CG 4.35Å; M44-L83 PolarHBondContact N-O 3.38Å; M44-L83 PolarHBondContact O-N 3.06Å; M44-L83 HydrophobicContact SD-CB 4.49Å; M44-L83 HydrophobicContact SD-CD2 3.61Å; F46-L83 HydrophobicContact CD1-CB 4.41Å; F46-L83 HydrophobicContact CE1-CB 3.95Å; L61-L83 HydrophobicContact CB-CD1 4.21Å; L61-L83 HydrophobicContact CD2-CB 4.44Å; L61-L83 HydrophobicContact CD2-CD1 3.79Å; L61-L83 HydrophobicContact CD2-CD2 3.48Å; L61-L83 VanDerWaalsContact CD2-CD2 3.48Å; L61-L83 HydrophobicContact CD2-CG 4.11Å; A73-L83 HydrophobicContact CB-CD1 3.65Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 VanDerWaalsContact CD2-O 3.26Å; L83-A85 WeakPolarHBondContact CD2-O 3.16Å; L83-A85 PolarHBondContact O-N 2.88Å; L83-Y95 HydrophobicContact CD2-CD1 3.91Å; L83-Y95 HydrophobicContact CD2-CE1 3.37Å
84	E	57.6	Low	59.6	Low	92 Å²	92	53 Å²	53	43%	0.43	27%	0.272	S	S	.	.	S	Bend	trans	-68.5	-25.1	179.6	-72.6	-170.1	160.7	0	0	113.3	A42 G206 N207 M208	A42-E84 CarbonylContact C-O 3.55Å; A42-E84 VanDerWaalsContact C-O 3.3Å; A42-E84 CarbonylContact O-C 3.55Å; A42-E84 WeakPolarHBondContact O-CA 3.2Å; E84-G206 WeakPolarHBondContact OE1-CA 3.3Å; E84-N207 PolarHBondContact OE1-N 2.72Å; E84-M208 HydrophobicContact CB-CE 4.49Å; E84-M208 HydrophobicContact CG-CE 3.45Å; E84-M208 VanDerWaalsContact CG-CE 3.45Å
85	A	60.5	Low	60.1	Low	23 Å²	23	50 Å²	50	19%	0.19	26%	0.259	C	S	.	.			trans	-106.2	103.2	-175.7	0	0	0	0	0	111.9	V71 L83 Y95	V71-A85 HydrophobicContact CB-CB 4.39Å; V71-A85 HydrophobicContact CG1-CB 3.96Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 VanDerWaalsContact CD2-O 3.26Å; L83-A85 WeakPolarHBondContact CD2-O 3.16Å; L83-A85 PolarHBondContact O-N 2.88Å; A85-Y95 PolarHBondContact O-OH 2.76Å
86	I	59	Low	60.9	Low	20 Å²	20	52.7 Å²	52.7	10%	0.103	27%	0.268	C	S	.	.			trans	-98.3	124.6	168.6	-33.1	176.1	0	0	0	106.2	E39 Q40 F43 M44 Y116 R118	E39-I86 HydrophobicContact CG-CD1 3.8Å; E39-I86 HydrophobicContact CG-CG2 4.32Å; Q40-I86 WeakPolarHBondContact O-CD1 3.3Å; F43-I86 VanDerWaalsContact C-CG1 3.47Å; F43-I86 WeakPolarHBondContact O-CD1 3.38Å; M44-I86 HydrophobicContact CB-CD1 4.35Å; M44-I86 HydrophobicContact CB-CG1 4.25Å; M44-I86 HydrophobicContact CG-CG1 4.39Å; M44-I86 HydrophobicContact SD-CG2 4.48Å; I86-Y116 HydrophobicContact CG2-CE1 3.7Å; I86-R118 HydrophobicContact CG2-CG 4.5Å
87	G	61	Low	61.7	Low	9 Å²	9	48.7 Å²	48.7	9%	0.093	25%	0.254	C	S	.	.			trans	-63.1	175.2	177.1	0	0	0	0	0	113.9	S93 Y95 R118	G87-S93 VanDerWaalsContact CA-OG 3.28Å; G87-S93 WeakPolarHBondContact CA-OG 3.42Å; G87-Y95 PolarHBondContact N-OH 3.48Å; G87-R118 WeakPolarHBondContact O-CD 3.34Å; G87-R118 PolarHBondContact O-NH1 2.9Å
88	E	63.4	Low	62.6	Low	121 Å²	121	45.2 Å²	45.2	57%	0.565	24%	0.237	S	C	*	.			trans	-64.9	146.2	-173.1	-69.7	-60.6	153.6	0	0	112.1	C90 E91	E88-C90 PolarHBondContact O-N 2.91Å; E88-E91 HydrophobicContact CB-CB 4.3Å; E88-E91 HydrophobicContact CB-CG 4.12Å; E88-E91 PolarHBondContact O-N 2.77Å; E88-E91 VanDerWaalsContact O-N 3.14Å
89	P	57.4	Low	63.6	Low	47 Å²	47	44.7 Å²	44.7	31%	0.305	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	139.7	174.7	-16.4	28	0	0	0	111.5	E91 P120	P89-E91 PolarHBondContact O-N 2.86Å; P89-P120 HydrophobicContact CB-CB 4.4Å
90	C	56.2	Low	64.2	Low	48 Å²	48	41.8 Å²	41.8	32%	0.324	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-5.2	-175.3	-45	0	0	0	0	115.9	E88 K117 R118 P120	E88-C90 PolarHBondContact O-N 2.91Å; C90-K117 WeakPolarHBondContact O-CE 3.41Å; C90-R118 WeakPolarHBondContact CA-O 3.19Å; C90-R118 PolarHBondContact N-O 2.77Å; C90-P120 WeakPolarHBondContact SG-CD 3.32Å; C90-P120 VanDerWaalsContact SG-CG 3.55Å
91	E	63.7	Low	64.9	Low	122 Å²	122	41.7 Å²	41.7	57%	0.57	22%	0.216	S	C	*	.	S	Bend	trans	-94.9	141.3	175.5	-63.8	-165.1	164.9	0	0	111.4	E88 P89 S93	E88-E91 HydrophobicContact CB-CB 4.3Å; E88-E91 HydrophobicContact CB-CG 4.12Å; E88-E91 PolarHBondContact O-N 2.77Å; E88-E91 VanDerWaalsContact O-N 3.14Å; P89-E91 PolarHBondContact O-N 2.86Å; E91-S93 PolarHBondContact O-N 3.33Å
92	V	66	Low	64.7	Low	71 Å²	71	43.6 Å²	43.6	43%	0.43	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111.1	173.1	-179	0	0	0	0	107.8	T115 K117	V92-T115 HydrophobicContact CG1-CG2 4.37Å; V92-K117 HydrophobicContact CG2-CB 4.13Å; V92-K117 HydrophobicContact CG2-CD 4.03Å; V92-K117 HydrophobicContact CG2-CG 4.1Å
93	S	67.8	Low	64.4	Low	12 Å²	12	46.9 Å²	46.9	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.1	171.1	-61.3	0	0	0	0	110.4	G87 E91 Y95 T115 Y116	G87-S93 VanDerWaalsContact CA-OG 3.28Å; G87-S93 WeakPolarHBondContact CA-OG 3.42Å; E91-S93 PolarHBondContact O-N 3.33Å; S93-Y95 VanDerWaalsContact CB-CE2 3.41Å; S93-T115 WeakPolarHBondContact O-CA 3.33Å; S93-Y116 PolarHBondContact N-O 2.79Å; S93-Y116 PolarHBondContact O-N 3.21Å
94	K	70.4	Confident	63.6	Low	132 Å²	132	54.2 Å²	54.2	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	173.7	-64.2	-174.5	-178.6	-178.4	0	109.3	D64 I114 T115	D64-K94 PolarHBondContact N-O 2.88Å; D64-K94 VanDerWaalsContact N-O 3.15Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å; K94-T115 HydrophobicContact CG-CG2 4.45Å
95	Y	70.2	Confident	63.1	Low	2 Å²	2	58.7 Å²	58.7	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.1	174.8	-57.6	-88.3	0	0	0	109.1	L61 V62 Q63 L83 A85 G87 S93 I114 Y116	L61-Y95 HydrophobicContact CD2-CD1 4.08Å; L61-Y95 HydrophobicContact CD2-CG 4.37Å; V62-Y95 CarbonylContact O-C 3.3Å; V62-Y95 WeakPolarHBondContact O-CA 3.16Å; Q63-Y95 HydrophobicContact CB-CD1 3.59Å; Q63-Y95 HydrophobicContact CB-CE1 3.52Å; Q63-Y95 HydrophobicContact CG-CD1 3.76Å; Q63-Y95 HydrophobicContact CG-CE1 3.39Å; L83-Y95 HydrophobicContact CD2-CD1 3.91Å; L83-Y95 HydrophobicContact CD2-CE1 3.37Å; A85-Y95 PolarHBondContact O-OH 2.76Å; G87-Y95 PolarHBondContact N-OH 3.48Å; S93-Y95 VanDerWaalsContact CB-CE2 3.41Å; Y95-I114 PolarHBondContact N-O 3.34Å; Y95-I114 PolarHBondContact O-N 3.21Å; Y95-Y116 HydrophobicContact CE2-CD1 4.24Å; Y95-Y116 HydrophobicContact CE2-CG 4.46Å
96	R	70.6	Confident	62.8	Low	67 Å²	67	63.5 Å²	63.5	25%	0.253	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.3	171.7	-64.2	-177	-81	137.7	-2.1	108.1	L61 V62 D64 D70 E98 T111 Y112 D113	L61-R96 CarbonylContact C-O 3.56Å; L61-R96 WeakPolarHBondContact CA-O 3.47Å; V62-R96 HydrophobicContact CB-CB 4.23Å; V62-R96 PolarHBondContact N-O 2.98Å; V62-R96 PolarHBondContact O-N 2.82Å; D64-R96 IonicContact OD1-CZ 2.76Å; D64-R96 IonicContact OD1-NE 3.7Å; D64-R96 PolarHBondContact OD1-NE 2.74Å; D64-R96 IonicContact OD1-NH2 3.92Å; D64-R96 PolarHBondContact OD1-NH2 2.78Å; D64-R96 IonicContact OD2-NE 3.2Å; D64-R96 PolarHBondContact OD2-NE 3.07Å; D70-R96 IonicContact OD2-NH2 2.88Å; R96-E98 IonicContact NH1-OE1 2.7Å; R96-E98 PolarHBondContact NH1-OE1 3.46Å; R96-T111 HydrophobicContact CB-CG2 4.01Å; R96-T111 HydrophobicContact CG-CG2 4.42Å; R96-Y112 CarbonylContact C-O 3.42Å; R96-Y112 WeakPolarHBondContact CA-O 3.42Å; R96-D113 WeakPolarHBondContact CG-OD1 3.49Å
97	A	70.5	Confident	62.6	Low	6 Å²	6	65.1 Å²	65.1	5%	0.05	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.6	172.1	0	0	0	0	0	108.9	M51 V59 F60 L61 T111 Y112 I114	M51-A97 HydrophobicContact CE-CB 4.1Å; V59-A97 HydrophobicContact CG1-CB 3.76Å; F60-A97 CarbonylContact O-C 3.39Å; F60-A97 WeakPolarHBondContact O-CA 3.46Å; L61-A97 HydrophobicContact CD1-CB 3.92Å; A97-T111 CarbonylContact O-C 3.53Å; A97-T111 VanDerWaalsContact O-CA 3.27Å; A97-T111 WeakPolarHBondContact O-CA 3.34Å; A97-Y112 PolarHBondContact N-O 2.86Å; A97-Y112 PolarHBondContact O-N 2.82Å; A97-I114 HydrophobicContact CB-CD1 3.71Å
98	E	73.6	Confident	62.8	Low	40 Å²	40	69.3 Å²	69.3	19%	0.187	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.7	-177.1	-60.4	-174.5	172.9	0	0	110.1	V59 F60 V62 R96 H100 Q110 T111	V59-E98 CarbonylContact C-O 3.52Å; V59-E98 VanDerWaalsContact CA-O 3.23Å; V59-E98 WeakPolarHBondContact CA-O 3.28Å; F60-E98 HydrophobicContact CB-CB 4.34Å; F60-E98 PolarHBondContact N-O 3.44Å; F60-E98 PolarHBondContact O-N 3.16Å; V62-E98 HydrophobicContact CG2-CG 4.21Å; R96-E98 IonicContact NH1-OE1 2.7Å; R96-E98 PolarHBondContact NH1-OE1 3.46Å; E98-H100 PolarHBondContact O-CD2 2.79Å; E98-H100 VanDerWaalsContact O-CD2 3.28Å; E98-Q110 CarbonylContact C-O 3.55Å; E98-Q110 WeakPolarHBondContact CA-O 3.42Å; E98-T111 HydrophobicContact CG-CG2 4.17Å
99	G	71.5	Confident	62.8	Low	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.2	177	0	0	0	0	0	111.9	F109 Q110	G99-F109 VanDerWaalsContact C-CD1 3.43Å; G99-F109 WeakPolarHBondContact O-CD1 3.19Å; G99-F109 WeakPolarHBondContact O-CE1 3.34Å; G99-F109 PolarHBondContact O-N 2.98Å; G99-Q110 PolarHBondContact N-O 3.08Å
100	H	70.6	Confident	63.4	Low	17 Å²	17	66.6 Å²	66.6	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.6	177.2	-65.8	-99.3	0	0	0	112.4	N57 Y58 F60 E98 F109	N57-H100 PolarHBondContact N-O 3.24Å; Y58-H100 HydrophobicContact CD1-CB 4.46Å; Y58-H100 HydrophobicContact CD2-CB 3.95Å; Y58-H100 HydrophobicContact CE1-CB 3.94Å; Y58-H100 HydrophobicContact CE2-CB 3.32Å; Y58-H100 AromaticContact CE2-CD2 3.56Å; Y58-H100 AromaticContact CE2-CG 3.47Å; Y58-H100 VanDerWaalsContact CE2-CG 3.47Å; Y58-H100 HydrophobicContact CG-CB 4.46Å; Y58-H100 AromaticContact CZ-CG 3.75Å; Y58-H100 PolarHBondContact N-O 2.85Å; Y58-H100 PolarHBondContact O-N 3.29Å; F60-H100 AromaticContact CD2-CD2 3.6Å; F60-H100 AromaticContact CD2-NE2 3.49Å; F60-H100 WeakPolarHBondContact CD2-NE2 3.43Å; E98-H100 PolarHBondContact O-CD2 2.79Å; E98-H100 VanDerWaalsContact O-CD2 3.28Å; H100-F109 VanDerWaalsContact C-CE1 3.49Å; H100-F109 VanDerWaalsContact N-CE1 3.27Å
101	N	69	Low	64	Low	11 Å²	11	67 Å²	67	6%	0.059	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	155.7	168.5	66.3	7.1	0	0	0	112.2	D55 N103 S107	D55-N101 HydrophobicContact CB-CB 3.83Å; D55-N101 WeakPolarHBondContact O-CA 3.46Å; D55-N101 WeakPolarHBondContact O-CB 3.46Å; N101-N103 PolarHBondContact O-N 2.8Å; N101-N103 VanDerWaalsContact O-N 3.14Å; N101-S107 PolarHBondContact ND2-OG 3.38Å; N101-S107 PolarHBondContact OD1-N 2.76Å; N101-S107 PolarHBondContact OD1-O 2.94Å; N101-S107 PolarHBondContact OD1-OG 2.81Å
102	G	56.7	Low	64.2	Low	46 Å²	46	63.4 Å²	63.4	47%	0.474	32%	0.321	S	S	.	.	S	Bend	trans	-75.3	10.9	-179.7	0	0	0	0	0	115.4	N57	N57-G102 WeakPolarHBondContact ND2-CA 3.39Å
103	N	51.1	Low	64.1	Low	97 Å²	97	65.3 Å²	65.3	52%	0.519	33%	0.329	S	S	.	.	S	Bend	trans	-81.5	154.1	-177.5	-78.3	-30.7	0	0	0	111.5	N101 F105 F106	N101-N103 PolarHBondContact O-N 2.8Å; N101-N103 VanDerWaalsContact O-N 3.14Å; N103-F105 PolarHBondContact O-N 2.76Å; N103-F106 PolarHBondContact O-N 2.97Å
104	I	48.2	Very low	64	Low	155 Å²	155	64.9 Å²	64.9	80%	0.795	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-19.8	-172	-66.2	165.1	0	0	0	114.7
105	F	47.9	Very low	63.7	Low	186 Å²	186	59.7 Å²	59.7	82%	0.816	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	7.6	-179.8	-67.1	-75.3	0	0	0	115.1	N103 S107	N103-F105 PolarHBondContact O-N 2.76Å; F105-S107 PolarHBondContact O-N 3.4Å
106	F	53.3	Low	63.3	Low	124 Å²	124	59.8 Å²	59.8	54%	0.544	31%	0.305	S	S	.	.			trans	41.7	58.6	-179.3	-58.2	-69.1	0	0	0	112.3	Y58 N103 H108	Y58-F106 HydrophobicContact CE1-CD1 4.32Å; Y58-F106 WeakPolarHBondContact OH-CD1 3.4Å; N103-F106 PolarHBondContact O-N 2.97Å; F106-H108 PolarHBondContact O-N 3Å
107	S	55.5	Low	62.9	Low	55 Å²	55	59.5 Å²	59.5	39%	0.385	31%	0.306	S	S	.	.			trans	-74.8	108.7	-176.6	70.4	0	0	0	0	109.1	N101 F105 F109	N101-S107 PolarHBondContact ND2-OG 3.38Å; N101-S107 PolarHBondContact OD1-N 2.76Å; N101-S107 PolarHBondContact OD1-O 2.94Å; N101-S107 PolarHBondContact OD1-OG 2.81Å; F105-S107 PolarHBondContact O-N 3.4Å; S107-F109 PolarHBondContact O-N 3.01Å
108	H	66.2	Low	62.3	Low	97 Å²	97	60.2 Å²	60.2	45%	0.449	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	127.3	160	168.9	-107.8	0	0	0	109.1	F106 Q110 T111	F106-H108 PolarHBondContact O-N 3Å; H108-Q110 PolarHBondContact NE2-O 2.95Å; H108-T111 PolarHBondContact CE1-OG1 3.38Å; H108-T111 PolarHBondContact NE2-OG1 2.8Å
109	F	62.9	Low	61.2	Low	47 Å²	47	60.2 Å²	60.2	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-19.1	-177.9	71.8	-101.6	0	0	0	113.3	M51 H53 F56 G99 H100 S107	M51-F109 HydrophobicContact CB-CE2 3.96Å; M51-F109 HydrophobicContact CB-CZ 4Å; M51-F109 HydrophobicContact SD-CE2 4.08Å; M51-F109 HydrophobicContact SD-CZ 4.06Å; H53-F109 HydrophobicContact CB-CD2 3.79Å; H53-F109 HydrophobicContact CB-CE1 4.26Å; H53-F109 HydrophobicContact CB-CE2 3.45Å; H53-F109 VanDerWaalsContact CB-CE2 3.45Å; H53-F109 HydrophobicContact CB-CG 4.39Å; H53-F109 HydrophobicContact CB-CZ 3.71Å; H53-F109 AromaticContact CD2-CD2 3.67Å; H53-F109 AromaticContact CD2-CG 3.87Å; H53-F109 AromaticContact CG-CD2 3.71Å; H53-F109 AromaticContact CG-CE2 3.89Å; H53-F109 AromaticContact CG-CG 3.92Å; F56-F109 HydrophobicContact CB-CZ 4.32Å; F56-F109 HydrophobicContact CD2-CE1 4.08Å; F56-F109 AromaticContact CD2-CZ 3.74Å; F56-F109 HydrophobicContact CD2-CZ 3.74Å; G99-F109 VanDerWaalsContact C-CD1 3.43Å; G99-F109 WeakPolarHBondContact O-CD1 3.19Å; G99-F109 WeakPolarHBondContact O-CE1 3.34Å; G99-F109 PolarHBondContact O-N 2.98Å; H100-F109 VanDerWaalsContact C-CE1 3.49Å; H100-F109 VanDerWaalsContact N-CE1 3.27Å; S107-F109 PolarHBondContact O-N 3.01Å
110	Q	68.7	Low	59.9	Low	64 Å²	64	63 Å²	63	30%	0.299	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	143.6	-179.1	-165.7	159.6	38.6	0	0	111.5	M51 E98 G99 H108 Y112	M51-Q110 HydrophobicContact SD-CB 4.19Å; E98-Q110 CarbonylContact C-O 3.55Å; E98-Q110 WeakPolarHBondContact CA-O 3.42Å; G99-Q110 PolarHBondContact N-O 3.08Å; H108-Q110 PolarHBondContact NE2-O 2.95Å; Q110-Y112 VanDerWaalsContact CD-CZ 3.44Å; Q110-Y112 HydrophobicContact CG-CD2 4.12Å; Q110-Y112 HydrophobicContact CG-CE2 3.54Å; Q110-Y112 PolarHBondContact NE2-OH 3.28Å; Q110-Y112 PolarHBondContact OE1-OH 2.85Å; Q110-Y112 VanDerWaalsContact OE1-OH 3.13Å
111	T	70	Confident	58.6	Low	56 Å²	56	64.1 Å²	64.1	34%	0.344	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.9	168.1	-58.5	0	0	0	0	109.4	R96 A97 E98 H108	R96-T111 HydrophobicContact CB-CG2 4.01Å; R96-T111 HydrophobicContact CG-CG2 4.42Å; A97-T111 CarbonylContact O-C 3.53Å; A97-T111 VanDerWaalsContact O-CA 3.27Å; A97-T111 WeakPolarHBondContact O-CA 3.34Å; E98-T111 HydrophobicContact CG-CG2 4.17Å; H108-T111 PolarHBondContact CE1-OG1 3.38Å; H108-T111 PolarHBondContact NE2-OG1 2.8Å
112	Y	66.6	Low	57	Low	47 Å²	47	69 Å²	69	18%	0.184	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129	165.6	-65.6	-90.9	0	0	0	110.1	M51 R96 A97 Q110	M51-Y112 HydrophobicContact CE-CD2 3.55Å; M51-Y112 HydrophobicContact CE-CE2 3.78Å; M51-Y112 HydrophobicContact CG-CE2 4.01Å; M51-Y112 HydrophobicContact SD-CD2 4.14Å; M51-Y112 HydrophobicContact SD-CE2 3.79Å; R96-Y112 CarbonylContact C-O 3.42Å; R96-Y112 WeakPolarHBondContact CA-O 3.42Å; A97-Y112 PolarHBondContact N-O 2.86Å; A97-Y112 PolarHBondContact O-N 2.82Å; Q110-Y112 VanDerWaalsContact CD-CZ 3.44Å; Q110-Y112 HydrophobicContact CG-CD2 4.12Å; Q110-Y112 HydrophobicContact CG-CE2 3.54Å; Q110-Y112 PolarHBondContact NE2-OH 3.28Å; Q110-Y112 PolarHBondContact OE1-OH 2.85Å; Q110-Y112 VanDerWaalsContact OE1-OH 3.13Å
113	D	64.8	Low	55.9	Low	111 Å²	111	73.3 Å²	73.3	59%	0.594	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.6	168.7	-62.4	-38.9	0	0	0	109.5	N23 R96	N23-D113 PolarHBondContact ND2-O 3.42Å; N23-D113 PolarHBondContact OD1-O 3.39Å; R96-D113 WeakPolarHBondContact CG-OD1 3.49Å
114	I	66.2	Low	54.8	Low	2 Å²	2	75.7 Å²	75.7	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.5	-176.1	-63.1	167.3	0	0	0	107	L20 F34 L61 K94 Y95 A97	L20-I114 HydrophobicContact CD1-CG2 4.38Å; L20-I114 HydrophobicContact CD2-CG2 3.47Å; L20-I114 VanDerWaalsContact CD2-CG2 3.47Å; L20-I114 HydrophobicContact CG-CG2 4.46Å; F34-I114 HydrophobicContact CB-CD1 3.87Å; F34-I114 HydrophobicContact CB-CG1 4.49Å; F34-I114 HydrophobicContact CD1-CD1 3.93Å; F34-I114 HydrophobicContact CD1-CG2 3.85Å; F34-I114 HydrophobicContact CD2-CD1 3.94Å; F34-I114 HydrophobicContact CE1-CD1 4.46Å; F34-I114 HydrophobicContact CE1-CG2 4.14Å; F34-I114 HydrophobicContact CE2-CD1 4.41Å; F34-I114 HydrophobicContact CG-CD1 3.68Å; L61-I114 HydrophobicContact CD1-CD1 3.94Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å; Y95-I114 PolarHBondContact N-O 3.34Å; Y95-I114 PolarHBondContact O-N 3.21Å; A97-I114 HydrophobicContact CB-CD1 3.71Å
115	T	64.1	Low	54.2	Low	24 Å²	24	72.8 Å²	72.8	15%	0.147	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.6	169.9	61	0	0	0	0	110	L20 E21 T22 V92 S93 K94	L20-T115 CarbonylContact C-O 3.54Å; L20-T115 WeakPolarHBondContact CA-O 3.41Å; L20-T115 WeakPolarHBondContact CB-O 3.43Å; L20-T115 WeakPolarHBondContact CD2-O 3.38Å; E21-T115 PolarHBondContact N-O 2.72Å; E21-T115 VanDerWaalsContact N-O 3.16Å; T22-T115 PolarHBondContact N-OG1 3.08Å; T22-T115 PolarHBondContact OG1-OG1 2.79Å; V92-T115 HydrophobicContact CG1-CG2 4.37Å; S93-T115 WeakPolarHBondContact O-CA 3.33Å; K94-T115 HydrophobicContact CG-CG2 4.45Å
116	Y	62.3	Low	53.2	Low	3 Å²	3	68.8 Å²	68.8	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123	178.6	175.2	-108.5	0	0	0	109.7	L20 V36 E39 I86 S93 Y95 R118	L20-Y116 HydrophobicContact CD2-CD2 3.74Å; L20-Y116 HydrophobicContact CD2-CG 4.07Å; L20-Y116 HydrophobicContact CG-CD2 4.48Å; V36-Y116 HydrophobicContact CG2-CD2 3.95Å; V36-Y116 HydrophobicContact CG2-CE2 3.81Å; E39-Y116 PolarHBondContact OE2-OH 2.81Å; I86-Y116 HydrophobicContact CG2-CE1 3.7Å; S93-Y116 PolarHBondContact N-O 2.79Å; S93-Y116 PolarHBondContact O-N 3.21Å; Y95-Y116 HydrophobicContact CE2-CD1 4.24Å; Y95-Y116 HydrophobicContact CE2-CG 4.46Å; Y116-R118 HydrophobicContact CE1-CB 3.78Å; Y116-R118 HydrophobicContact CE1-CG 4.36Å
117	K	61.7	Low	52.1	Low	62 Å²	62	68.7 Å²	68.7	27%	0.27	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.9	173	-170	176	-178.5	175.1	0	108.8	C90 V92	C90-K117 WeakPolarHBondContact O-CE 3.41Å; V92-K117 HydrophobicContact CG2-CB 4.13Å; V92-K117 HydrophobicContact CG2-CD 4.03Å; V92-K117 HydrophobicContact CG2-CG 4.1Å
118	R	56.7	Low	50.7	Low	20 Å²	20	66.9 Å²	66.9	8%	0.075	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.4	132.6	177	-174	-179.3	-175.6	-172	9	109.5	E39 I86 G87 C90 Y116	E39-R118 WeakPolarHBondContact OE1-CG 3.29Å; E39-R118 IonicContact OE1-CZ 3.57Å; E39-R118 IonicContact OE1-NE 3.16Å; E39-R118 PolarHBondContact OE1-NE 3.37Å; E39-R118 IonicContact OE1-NH2 2.65Å; E39-R118 PolarHBondContact OE1-NH2 3.35Å; I86-R118 HydrophobicContact CG2-CG 4.5Å; G87-R118 WeakPolarHBondContact O-CD 3.34Å; G87-R118 PolarHBondContact O-NH1 2.9Å; C90-R118 WeakPolarHBondContact CA-O 3.19Å; C90-R118 PolarHBondContact N-O 2.77Å; Y116-R118 HydrophobicContact CE1-CB 3.78Å; Y116-R118 HydrophobicContact CE1-CG 4.36Å
119	V	51.2	Low	49.1	Very low	40 Å²	40	66 Å²	66	24%	0.242	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-82.9	139.6	174.9	-176.8	0	0	0	0	108.6	R121	V119-R121 PolarHBondContact O-N 2.84Å
120	P	43.9	Very low	47.4	Very low	58 Å²	58	66.5 Å²	66.5	38%	0.377	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-56.2	126.6	173.8	20.7	-28.7	0	0	0	109.6	P89 C90 I122	P89-P120 HydrophobicContact CB-CB 4.4Å; C90-P120 WeakPolarHBondContact SG-CD 3.32Å; C90-P120 VanDerWaalsContact SG-CG 3.55Å; P120-I122 PolarHBondContact O-N 2.86Å
121	R	43	Very low	45.4	Very low	42 Å²	42	65.1 Å²	65.1	16%	0.158	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59.4	126.8	174.2	-72.4	-179.1	162.9	-165.9	-16.5	107.6	N3 I5 Q40 T41 V119 E123	N3-R121 PolarHBondContact ND2-NH1 3.21Å; I5-R121 HydrophobicContact CD1-CB 4.06Å; I5-R121 HydrophobicContact CD1-CG 3.72Å; Q40-R121 VanDerWaalsContact CA-NH2 3.3Å; Q40-R121 PolarHBondContact O-NH2 3.41Å; T41-R121 VanDerWaalsContact CG2-NH1 3.34Å; T41-R121 PolarHBondContact OG1-NH1 2.65Å; V119-R121 PolarHBondContact O-N 2.84Å; R121-E123 PolarHBondContact O-N 2.76Å
122	I	36.2	Very low	43.5	Very low	112 Å²	112	63 Å²	63	57%	0.574	33%	0.33	S	S	*	.			trans	-69.6	94.6	167.2	-50	173.8	0	0	0	105.5	P120 N124 V125	P120-I122 PolarHBondContact O-N 2.86Å; I122-N124 HydrophobicContact CG2-CB 4.25Å; I122-N124 PolarHBondContact O-N 3.32Å; I122-N124 VanDerWaalsContact O-N 3.09Å; I122-V125 HydrophobicContact CB-CB 4.24Å; I122-V125 HydrophobicContact CB-CG2 3.76Å; I122-V125 HydrophobicContact CD1-CG2 4.03Å; I122-V125 HydrophobicContact CG1-CG2 4.5Å; I122-V125 HydrophobicContact CG2-CB 4.41Å; I122-V125 HydrophobicContact CG2-CG2 3.68Å; I122-V125 PolarHBondContact O-N 2.78Å
123	E	32.7	Very low	41.8	Very low	138 Å²	138	64.1 Å²	64.1	65%	0.645	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-57.3	-22	173.9	-67.7	-173.7	159.8	0	0	110.4	R121 Q126	R121-E123 PolarHBondContact O-N 2.76Å; E123-Q126 WeakPolarHBondContact O-CB 3.33Å; E123-Q126 WeakPolarHBondContact O-CG 3.1Å; E123-Q126 PolarHBondContact O-N 3.23Å; E123-Q126 PolarHBondContact O-OE1 2.74Å
124	N	29.4	Very low	40.1	Very low	146 Å²	146	60.2 Å²	60.2	78%	0.781	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-88.3	3.5	174.3	-68	-35.3	0	0	0	115.8	I122	I122-N124 HydrophobicContact CG2-CB 4.25Å; I122-N124 PolarHBondContact O-N 3.32Å; I122-N124 VanDerWaalsContact O-N 3.09Å
125	V	34.4	Very low	38.1	Very low	94 Å²	94	63.1 Å²	63.1	57%	0.57	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-92.1	24.4	158.6	-173.4	0	0	0	0	109	I122 I127	I122-V125 HydrophobicContact CB-CB 4.24Å; I122-V125 HydrophobicContact CB-CG2 3.76Å; I122-V125 HydrophobicContact CD1-CG2 4.03Å; I122-V125 HydrophobicContact CG1-CG2 4.5Å; I122-V125 HydrophobicContact CG2-CB 4.41Å; I122-V125 HydrophobicContact CG2-CG2 3.68Å; I122-V125 PolarHBondContact O-N 2.78Å; V125-I127 VanDerWaalsContact C-N 3.33Å; V125-I127 PolarHBondContact O-N 3.49Å
126	Q	27.4	Very low	36.7	Very low	102 Å²	102	64.7 Å²	64.7	48%	0.477	35%	0.346	S	S	.	.			trans	-71.5	-13.7	179	-98.3	170.8	-17.7	0	0	115.4	E123	E123-Q126 WeakPolarHBondContact O-CB 3.33Å; E123-Q126 WeakPolarHBondContact O-CG 3.1Å; E123-Q126 PolarHBondContact O-N 3.23Å; E123-Q126 PolarHBondContact O-OE1 2.74Å
127	I	29.8	Very low	35.2	Very low	123 Å²	123	66.5 Å²	66.5	63%	0.631	36%	0.355	S	S	*	.	S	Bend	trans	-120.6	-1.5	-157.3	-46.7	-179.2	0	0	0	113.5	V125 S131	V125-I127 VanDerWaalsContact C-N 3.33Å; V125-I127 PolarHBondContact O-N 3.49Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.48Å; I127-S131 PolarHBondContact O-OG 3.15Å
128	G	27.4	Very low	33.5	Very low	16 Å²	16	67 Å²	67	17%	0.165	36%	0.363	C	S	.	.	S	Bend	trans	-95.8	-83	-178.5	0	0	0	0	0	114.1	S131 I132	G128-S131 PolarHBondContact O-OG 2.69Å; G128-I132 WeakPolarHBondContact O-CD1 3.39Å; G128-I132 WeakPolarHBondContact O-CG1 3.47Å; G128-I132 PolarHBondContact O-N 2.77Å
129	L	31.2	Very low	32.2	Very low	79 Å²	79	70.2 Å²	70.2	41%	0.414	39%	0.385	S	S	.	.	H	α-helix	trans	-65.8	-44.5	-170.7	-98.8	81	0	0	0	113.9	I132 I133 L291 I319	L129-I132 PolarHBondContact O-N 2.91Å; L129-I133 PolarHBondContact O-N 3.26Å; L129-L291 HydrophobicContact CD1-CD1 3.65Å; L129-L291 HydrophobicContact CG-CD1 4.29Å; L129-I319 HydrophobicContact CD1-CD1 3.71Å; L129-I319 HydrophobicContact CD2-CD1 3.37Å; L129-I319 HydrophobicContact CG-CD1 3.4Å; L129-I319 VanDerWaalsContact CG-CD1 3.4Å
130	L	28.1	Very low	31.3	Very low	58 Å²	58	76.2 Å²	76.2	30%	0.304	42%	0.415	S	S	.	.	H	α-helix	trans	-67.7	-45.8	-178.6	-141.9	82.2	0	0	0	109.2	V2 I132 I133 T134	V2-L130 WeakPolarHBondContact O-CD1 3.02Å; V2-L130 WeakPolarHBondContact O-CD2 3.34Å; L130-I132 PolarHBondContact O-N 2.72Å; L130-I132 VanDerWaalsContact O-N 3.14Å; L130-I133 PolarHBondContact O-N 3.01Å; L130-T134 VanDerWaalsContact C-OG1 3.28Å; L130-T134 HydrophobicContact CD2-CG2 4.48Å; L130-T134 HydrophobicContact CG-CG2 4.04Å; L130-T134 WeakPolarHBondContact O-CA 3.04Å; L130-T134 WeakPolarHBondContact O-CB 3.12Å; L130-T134 WeakPolarHBondContact O-CG2 3.35Å; L130-T134 PolarHBondContact O-N 3.37Å; L130-T134 PolarHBondContact O-OG1 3.46Å
131	S	26.9	Very low	30.5	Very low	35 Å²	35	76.2 Å²	76.2	25%	0.245	43%	0.426	C	S	.	.	H	α-helix	trans	-57	-32.3	179.8	78.6	0	0	0	0	113	I127 G128 T134 S135	I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.48Å; I127-S131 PolarHBondContact O-OG 3.15Å; G128-S131 PolarHBondContact O-OG 2.69Å; S131-T134 VanDerWaalsContact C-OG1 3.32Å; S131-T134 WeakPolarHBondContact CA-OG1 3.17Å; S131-T134 CarbonylContact O-C 3.36Å; S131-T134 PolarHBondContact O-OG1 3.23Å; S131-T134 VanDerWaalsContact O-OG1 3.12Å; S131-S135 WeakPolarHBondContact O-CA 3.39Å; S131-S135 WeakPolarHBondContact O-CB 3.38Å; S131-S135 PolarHBondContact O-N 3.25Å
132	I	30.6	Very low	29.7	Very low	11 Å²	11	81.6 Å²	81.6	6%	0.056	45%	0.453	C	S	.	.	H	α-helix	trans	-90.3	-34.2	-174.1	-46.8	156.3	0	0	0	112.9	G128 L129 L130 T134 S135 F283 Q290 L291 M293	G128-I132 WeakPolarHBondContact O-CD1 3.39Å; G128-I132 WeakPolarHBondContact O-CG1 3.47Å; G128-I132 PolarHBondContact O-N 2.77Å; L129-I132 PolarHBondContact O-N 2.91Å; L130-I132 PolarHBondContact O-N 2.72Å; L130-I132 VanDerWaalsContact O-N 3.14Å; I132-T134 PolarHBondContact O-N 2.77Å; I132-S135 PolarHBondContact O-OG 2.88Å; I132-F283 HydrophobicContact CB-CD1 4.21Å; I132-F283 HydrophobicContact CB-CE1 3.82Å; I132-F283 HydrophobicContact CB-CZ 4.11Å; I132-F283 HydrophobicContact CD1-CD1 4.31Å; I132-F283 HydrophobicContact CG2-CD1 3.63Å; I132-F283 HydrophobicContact CG2-CE1 2.96Å; I132-F283 HydrophobicContact CG2-CZ 3.53Å; I132-Q290 HydrophobicContact CD1-CG 4.48Å; I132-L291 HydrophobicContact CD1-CB 3.81Å; I132-L291 WeakPolarHBondContact CD1-O 3.36Å; I132-M293 HydrophobicContact CG2-CB 4.49Å; I132-M293 HydrophobicContact CG2-SD 4.42Å
133	I	30.4	Very low	29.4	Very low	71 Å²	71	81.8 Å²	81.8	36%	0.364	45%	0.451	S	S	.	.	H	α-helix	trans	-66.5	-34.1	165.4	-62	176.5	0	0	0	109.5	L129 L130 F283 F321	L129-I133 PolarHBondContact O-N 3.26Å; L130-I133 PolarHBondContact O-N 3.01Å; I133-F283 HydrophobicContact CG1-CE2 4.2Å; I133-F321 HydrophobicContact CD1-CE2 3.94Å; I133-F321 HydrophobicContact CD1-CZ 3.84Å; I133-F321 HydrophobicContact CG1-CE2 4.29Å
134	T	27.8	Very low	29.4	Very low	29 Å²	29	77.6 Å²	77.6	18%	0.178	43%	0.431	C	S	.	.	H	α-helix	trans	-85.1	-13.5	-178	64.8	0	0	0	0	115	L130 S131 I132 L136 H143	L130-T134 VanDerWaalsContact C-OG1 3.28Å; L130-T134 HydrophobicContact CD2-CG2 4.48Å; L130-T134 HydrophobicContact CG-CG2 4.04Å; L130-T134 WeakPolarHBondContact O-CA 3.04Å; L130-T134 WeakPolarHBondContact O-CB 3.12Å; L130-T134 WeakPolarHBondContact O-CG2 3.35Å; L130-T134 PolarHBondContact O-N 3.37Å; L130-T134 PolarHBondContact O-OG1 3.46Å; S131-T134 VanDerWaalsContact C-OG1 3.32Å; S131-T134 WeakPolarHBondContact CA-OG1 3.17Å; S131-T134 CarbonylContact O-C 3.36Å; S131-T134 PolarHBondContact O-OG1 3.23Å; S131-T134 VanDerWaalsContact O-OG1 3.12Å; I132-T134 PolarHBondContact O-N 2.77Å; T134-L136 VanDerWaalsContact C-N 3.32Å; T134-H143 VanDerWaalsContact CB-ND1 3.32Å; T134-H143 WeakPolarHBondContact CB-ND1 3.05Å; T134-H143 PolarHBondContact OG1-CE1 3.2Å
135	S	25.9	Very low	29.8	Very low	63 Å²	63	72.4 Å²	72.4	44%	0.441	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-78.9	-16.1	176	78.9	0	0	0	0	113	S131 I132 H137	S131-S135 WeakPolarHBondContact O-CA 3.39Å; S131-S135 WeakPolarHBondContact O-CB 3.38Å; S131-S135 PolarHBondContact O-N 3.25Å; I132-S135 PolarHBondContact O-OG 2.88Å; S135-H137 VanDerWaalsContact C-N 3.28Å; S135-H137 PolarHBondContact O-N 3.34Å
136	L	33.4	Very low	30.2	Very low	56 Å²	56	71 Å²	71	29%	0.293	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-80.5	-8.3	-177.6	-83.9	151.2	0	0	0	113.3	T134 M293 F328	T134-L136 VanDerWaalsContact C-N 3.32Å; L136-M293 HydrophobicContact CD1-SD 4.02Å; L136-F328 HydrophobicContact CB-CE2 4.43Å; L136-F328 HydrophobicContact CB-CZ 3.86Å; L136-F328 HydrophobicContact CD1-CE1 3.94Å; L136-F328 HydrophobicContact CD1-CZ 3.71Å; L136-F328 HydrophobicContact CG-CZ 4.25Å
137	H	31.2	Very low	31.4	Very low	42 Å²	42	70.1 Å²	70.1	19%	0.194	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-137	38	-173.7	-134.7	-70.6	0	0	0	113.7	S135 V139 E144 N326	S135-H137 VanDerWaalsContact C-N 3.28Å; S135-H137 PolarHBondContact O-N 3.34Å; H137-V139 PolarHBondContact O-N 3.27Å; H137-E144 IonicContact CE1-OE2 3.76Å; H137-E144 PolarHBondContact CE1-OE2 3.02Å; H137-E144 IonicContact ND1-OE2 2.67Å; H137-E144 PolarHBondContact ND1-OE2 2.67Å; H137-E144 VanDerWaalsContact ND1-OE2 3.16Å; H137-N326 WeakPolarHBondContact NE2-CB 3.49Å; H137-N326 PolarHBondContact NE2-ND2 3.04Å
138	T	26.4	Very low	32.5	Very low	73 Å²	73	65 Å²	65	45%	0.448	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.4	171	49.4	0	0	0	0	110.9
139	V	28.9	Very low	33.9	Very low	86 Å²	86	68.2 Å²	68.2	52%	0.521	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.4	153.4	-178.3	0	0	0	0	105.7	H137 G141	H137-V139 PolarHBondContact O-N 3.27Å; V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 2.74Å
140	N	32.2	Very low	35	Very low	166 Å²	166	67.6 Å²	67.6	89%	0.888	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	31.7	-176.6	-62.6	-16.6	0	0	0	116.2	Q142	N140-Q142 VanDerWaalsContact C-N 3.28Å; N140-Q142 PolarHBondContact O-N 2.84Å
141	G	27.4	Very low	36.6	Very low	58 Å²	58	64.9 Å²	64.9	60%	0.598	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	6.1	170.9	0	0	0	0	0	115.8	V139	V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 2.74Å
142	Q	25.5	Very low	38.1	Very low	155 Å²	155	66.1 Å²	66.1	72%	0.724	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	137	167.6	-72.3	-166.7	-23.9	0	0	110.8	N140	N140-Q142 VanDerWaalsContact C-N 3.28Å; N140-Q142 PolarHBondContact O-N 2.84Å
143	H	31.6	Very low	39.3	Very low	117 Å²	117	69.7 Å²	69.7	54%	0.542	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.5	-178.4	-54.9	-57	0	0	0	111.2	T134 P145	T134-H143 VanDerWaalsContact CB-ND1 3.32Å; T134-H143 WeakPolarHBondContact CB-ND1 3.05Å; T134-H143 PolarHBondContact OG1-CE1 3.2Å; H143-P145 WeakPolarHBondContact O-CD 3.46Å
144	E	32.1	Very low	40.6	Very low	49 Å²	49	70.3 Å²	70.3	23%	0.229	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-103.8	116.6	170.4	-76.2	-174.7	170	0	0	111.1	H137 Y147 R157	H137-E144 IonicContact CE1-OE2 3.76Å; H137-E144 PolarHBondContact CE1-OE2 3.02Å; H137-E144 IonicContact ND1-OE2 2.67Å; H137-E144 PolarHBondContact ND1-OE2 2.67Å; H137-E144 VanDerWaalsContact ND1-OE2 3.16Å; E144-Y147 HydrophobicContact CB-CE2 4.07Å; E144-Y147 HydrophobicContact CG-CE2 4.38Å; E144-R157 WeakPolarHBondContact OE1-CD 3.41Å; E144-R157 IonicContact OE1-CZ 3.74Å; E144-R157 IonicContact OE1-NE 3.82Å; E144-R157 IonicContact OE1-NH1 3.53Å; E144-R157 PolarHBondContact OE1-NH1 3.36Å; E144-R157 IonicContact OE2-CZ 3.64Å; E144-R157 IonicContact OE2-NH1 3.48Å; E144-R157 PolarHBondContact OE2-NH1 2.67Å
145	P	37.1	Very low	42.1	Very low	38 Å²	38	76.3 Å²	76.3	25%	0.247	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-50.4	159.5	165.6	-28.9	30	0	0	0	115.4	H143 Y147 R163	H143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-Y147 VanDerWaalsContact C-N 3.34Å; P145-Y147 HydrophobicContact CB-CD1 4.3Å; P145-Y147 HydrophobicContact CB-CD2 4.37Å; P145-Y147 HydrophobicContact CB-CE1 3.87Å; P145-Y147 HydrophobicContact CB-CE2 3.95Å; P145-Y147 VanDerWaalsContact CD-CZ 3.49Å; P145-Y147 VanDerWaalsContact CD-OH 3.24Å; P145-Y147 WeakPolarHBondContact CD-OH 3.29Å; P145-Y147 HydrophobicContact CG-CE1 4.04Å; P145-Y147 HydrophobicContact CG-CE2 4.09Å; P145-Y147 WeakPolarHBondContact CG-OH 3.35Å; P145-Y147 WeakPolarHBondContact O-CD2 3.48Å; P145-Y147 WeakPolarHBondContact O-CE2 3.44Å; P145-Y147 PolarHBondContact O-N 3.04Å; P145-R163 VanDerWaalsContact CB-CD 3.44Å; P145-R163 HydrophobicContact CB-CG 3.96Å
146	A	43.6	Very low	43.8	Very low	65 Å²	65	76.8 Å²	76.8	54%	0.537	43%	0.433	S	S	.	.			trans	-69.4	93.1	167.4	0	0	0	0	0	109.4
147	Y	51	Low	44.8	Very low	83 Å²	83	79.8 Å²	79.8	33%	0.325	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-83.5	152.9	179.2	-63.5	-69.5	0	0	0	111.5	E144 P145 N160 R163	E144-Y147 HydrophobicContact CB-CE2 4.07Å; E144-Y147 HydrophobicContact CG-CE2 4.38Å; P145-Y147 VanDerWaalsContact C-N 3.34Å; P145-Y147 HydrophobicContact CB-CD1 4.3Å; P145-Y147 HydrophobicContact CB-CD2 4.37Å; P145-Y147 HydrophobicContact CB-CE1 3.87Å; P145-Y147 HydrophobicContact CB-CE2 3.95Å; P145-Y147 VanDerWaalsContact CD-CZ 3.49Å; P145-Y147 VanDerWaalsContact CD-OH 3.24Å; P145-Y147 WeakPolarHBondContact CD-OH 3.29Å; P145-Y147 HydrophobicContact CG-CE1 4.04Å; P145-Y147 HydrophobicContact CG-CE2 4.09Å; P145-Y147 WeakPolarHBondContact CG-OH 3.35Å; P145-Y147 WeakPolarHBondContact O-CD2 3.48Å; P145-Y147 WeakPolarHBondContact O-CE2 3.44Å; P145-Y147 PolarHBondContact O-N 3.04Å; Y147-N160 HydrophobicContact CD1-CB 3.55Å; Y147-N160 VanDerWaalsContact CD1-ND2 3.34Å; Y147-N160 WeakPolarHBondContact CD1-ND2 3.45Å; Y147-N160 WeakPolarHBondContact CD2-ND2 3.41Å; Y147-N160 HydrophobicContact CE1-CB 3.55Å; Y147-N160 HydrophobicContact CG-CB 4.3Å; Y147-R163 HydrophobicContact CD1-CB 4.39Å
148	L	54.5	Low	46	Very low	14 Å²	14	84.6 Å²	84.6	7%	0.073	47%	0.467	C	S	.	.			trans	-68.3	146.7	168.5	-61.1	173.2	0	0	0	107.8	T150 N151 F162 V164 I242 T243 Y244	L148-T150 PolarHBondContact O-N 2.86Å; L148-N151 WeakPolarHBondContact CA-OD1 3.42Å; L148-N151 HydrophobicContact CB-CB 4.18Å; L148-N151 WeakPolarHBondContact CB-OD1 3.35Å; L148-N151 PolarHBondContact N-OD1 2.92Å; L148-N151 PolarHBondContact O-OD1 3.43Å; L148-F162 HydrophobicContact CD1-CB 3.72Å; L148-V164 HydrophobicContact CD1-CG2 4.47Å; L148-V164 HydrophobicContact CD2-CG2 3.4Å; L148-V164 HydrophobicContact CG-CG2 4.04Å; L148-I242 HydrophobicContact CB-CG2 3.71Å; L148-I242 HydrophobicContact CD1-CG2 3.23Å; L148-I242 HydrophobicContact CD2-CG2 4.38Å; L148-I242 HydrophobicContact CG-CG2 3.91Å; L148-T243 CarbonylContact C-O 3.59Å; L148-Y244 HydrophobicContact CD2-CD2 3.43Å; L148-Y244 VanDerWaalsContact CD2-CD2 3.43Å; L148-Y244 HydrophobicContact CD2-CE2 4.46Å; L148-Y244 HydrophobicContact CD2-CG 3.94Å
149	E	55.4	Low	47.7	Very low	84 Å²	84	82.9 Å²	82.9	39%	0.393	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.5	-163.4	169.5	178.6	-120.1	0	0	113.4	T243 R327	E149-T243 WeakPolarHBondContact CB-OG1 3.07Å; E149-T243 PolarHBondContact N-O 3.03Å; E149-T243 PolarHBondContact OE2-OG1 3.14Å; E149-R327 IonicContact OE1-CZ 2.87Å; E149-R327 IonicContact OE1-NH1 3.16Å; E149-R327 IonicContact OE1-NH2 2.76Å; E149-R327 PolarHBondContact OE1-NH2 3.07Å; E149-R327 IonicContact OE2-NH2 3.72Å
150	T	54.4	Low	49.3	Very low	66 Å²	66	79.9 Å²	79.9	41%	0.405	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	29.5	-178.7	62	0	0	0	0	115	L148 M152 D241 T243	L148-T150 PolarHBondContact O-N 2.86Å; T150-M152 VanDerWaalsContact C-N 3.26Å; T150-M152 PolarHBondContact O-N 2.8Å; T150-D241 VanDerWaalsContact O-O 3.13Å; T150-D241 PolarHBondContact OG1-O 3.47Å; T150-T243 HydrophobicContact CG2-CG2 4.37Å; T150-T243 WeakPolarHBondContact CG2-OG1 3.25Å; T150-T243 PolarHBondContact OG1-N 2.7Å; T150-T243 VanDerWaalsContact OG1-N 3.1Å; T150-T243 PolarHBondContact OG1-OG1 2.89Å
151	N	63.4	Low	51	Low	2 Å²	2	72.7 Å²	72.7	1%	0.011	40%	0.4	C	S	.	.			trans	-90.7	20.3	179.8	78.6	-80.8	0	0	0	114.2	L148 N160 T161 F162 I242	L148-N151 WeakPolarHBondContact CA-OD1 3.42Å; L148-N151 HydrophobicContact CB-CB 4.18Å; L148-N151 WeakPolarHBondContact CB-OD1 3.35Å; L148-N151 PolarHBondContact N-OD1 2.92Å; L148-N151 PolarHBondContact O-OD1 3.43Å; N151-N160 VanDerWaalsContact CG-OD1 3.26Å; N151-N160 VanDerWaalsContact ND2-C 3.34Å; N151-N160 WeakPolarHBondContact ND2-CA 3.25Å; N151-N160 WeakPolarHBondContact ND2-CB 3.32Å; N151-N160 PolarHBondContact ND2-OD1 2.87Å; N151-N160 WeakPolarHBondContact O-CA 3.26Å; N151-N160 PolarHBondContact OD1-OD1 3.35Å; N151-N160 VanDerWaalsContact OD1-OD1 3.13Å; N151-T161 PolarHBondContact ND2-N 3.06Å; N151-T161 PolarHBondContact O-N 3.14Å; N151-F162 HydrophobicContact CB-CB 4.32Å; N151-F162 VanDerWaalsContact CG-O 3.31Å; N151-F162 PolarHBondContact ND2-N 2.84Å; N151-F162 PolarHBondContact ND2-O 2.91Å; N151-F162 PolarHBondContact OD1-O 2.97Å; N151-I242 HydrophobicContact CB-CG1 4.36Å
152	M	56.5	Low	53.1	Low	60 Å²	60	70 Å²	70	30%	0.296	37%	0.372	S	S	.	.	S	Bend	trans	-93	140.2	175.2	-62.3	179.3	-66.1	0	0	110.6	T150 A154 R157 N160	T150-M152 VanDerWaalsContact C-N 3.26Å; T150-M152 PolarHBondContact O-N 2.8Å; M152-A154 VanDerWaalsContact CB-O 3.29Å; M152-A154 WeakPolarHBondContact CB-O 2.91Å; M152-A154 PolarHBondContact O-N 2.81Å; M152-R157 HydrophobicContact SD-CB 4.27Å; M152-R157 HydrophobicContact SD-CG 3.72Å; M152-N160 WeakPolarHBondContact CG-OD1 3.28Å
153	I	55.7	Low	55.2	Low	86 Å²	86	64.6 Å²	64.6	44%	0.441	34%	0.344	S	S	.	.	S	Bend	trans	-78.7	110.8	164	-57.3	177.6	0	0	0	107.1	T159 Y240	I153-T159 HydrophobicContact CB-CG2 4.18Å; I153-T159 PolarHBondContact N-OG1 2.64Å; I153-T159 PolarHBondContact O-OG1 3.01Å; I153-Y240 HydrophobicContact CD1-CE1 4.13Å; I153-Y240 HydrophobicContact CG1-CE1 4Å
154	A	59	Low	56.9	Low	85 Å²	85	59.4 Å²	59.4	70%	0.702	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-144.1	-167.4	0	0	0	0	0	111.2	M152	M152-A154 VanDerWaalsContact CB-O 3.29Å; M152-A154 WeakPolarHBondContact CB-O 2.91Å; M152-A154 PolarHBondContact O-N 2.81Å
155	N	59.2	Low	58.4	Low	154 Å²	154	57.6 Å²	57.6	82%	0.824	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	18.8	-179.5	-71.4	-20.2	0	0	0	113.2
156	D	62.1	Low	59.6	Low	74 Å²	74	56.8 Å²	56.8	40%	0.396	31%	0.306	S	S	.	.			trans	-89.4	107.9	179.7	-174.8	-0.7	0	0	0	111.5	N158 T159	D156-N158 PolarHBondContact O-N 2.72Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 WeakPolarHBondContact OD1-CB 3.42Å; D156-N158 PolarHBondContact OD1-N 2.91Å; D156-N158 PolarHBondContact OD1-ND2 2.92Å; D156-T159 HydrophobicContact CB-CG2 3.82Å; D156-T159 WeakPolarHBondContact O-CB 3.1Å; D156-T159 PolarHBondContact O-N 3.27Å; D156-T159 PolarHBondContact O-OG1 2.81Å
157	R	53.3	Low	60.4	Low	119 Å²	119	54.1 Å²	54.1	45%	0.449	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-61.7	-20.6	178.8	-62.7	-173.4	-178.9	-177.8	-3.9	113.9	E144 M152 T159 N160	E144-R157 WeakPolarHBondContact OE1-CD 3.41Å; E144-R157 IonicContact OE1-CZ 3.74Å; E144-R157 IonicContact OE1-NE 3.82Å; E144-R157 IonicContact OE1-NH1 3.53Å; E144-R157 PolarHBondContact OE1-NH1 3.36Å; E144-R157 IonicContact OE2-CZ 3.64Å; E144-R157 IonicContact OE2-NH1 3.48Å; E144-R157 PolarHBondContact OE2-NH1 2.67Å; M152-R157 HydrophobicContact SD-CB 4.27Å; M152-R157 HydrophobicContact SD-CG 3.72Å; R157-T159 PolarHBondContact O-N 2.83Å; R157-N160 PolarHBondContact O-ND2 2.96Å; R157-N160 VanDerWaalsContact O-ND2 3.09Å
158	N	57.3	Low	60.6	Low	142 Å²	142	51.4 Å²	51.4	76%	0.759	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-77.9	-9.3	177.3	-57.3	-56.3	0	0	0	113	D156	D156-N158 PolarHBondContact O-N 2.72Å; D156-N158 VanDerWaalsContact O-N 3.14Å; D156-N158 WeakPolarHBondContact OD1-CB 3.42Å; D156-N158 PolarHBondContact OD1-N 2.91Å; D156-N158 PolarHBondContact OD1-ND2 2.92Å
159	T	60.7	Low	61	Low	37 Å²	37	55.8 Å²	55.8	23%	0.227	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-95.3	6.5	178.2	67	0	0	0	0	112.8	I153 D156 R157 T161	I153-T159 HydrophobicContact CB-CG2 4.18Å; I153-T159 PolarHBondContact N-OG1 2.64Å; I153-T159 PolarHBondContact O-OG1 3.01Å; D156-T159 HydrophobicContact CB-CG2 3.82Å; D156-T159 WeakPolarHBondContact O-CB 3.1Å; D156-T159 PolarHBondContact O-N 3.27Å; D156-T159 PolarHBondContact O-OG1 2.81Å; R157-T159 PolarHBondContact O-N 2.83Å; T159-T161 PolarHBondContact O-N 3Å
160	N	62.9	Low	61.6	Low	23 Å²	23	53.9 Å²	53.9	12%	0.123	30%	0.299	C	S	.	.			trans	-57.2	108.1	175.4	-85.8	-37.6	0	0	0	110.6	Y147 N151 M152 R157	Y147-N160 HydrophobicContact CD1-CB 3.55Å; Y147-N160 VanDerWaalsContact CD1-ND2 3.34Å; Y147-N160 WeakPolarHBondContact CD1-ND2 3.45Å; Y147-N160 WeakPolarHBondContact CD2-ND2 3.41Å; Y147-N160 HydrophobicContact CE1-CB 3.55Å; Y147-N160 HydrophobicContact CG-CB 4.3Å; N151-N160 VanDerWaalsContact CG-OD1 3.26Å; N151-N160 VanDerWaalsContact ND2-C 3.34Å; N151-N160 WeakPolarHBondContact ND2-CA 3.25Å; N151-N160 WeakPolarHBondContact ND2-CB 3.32Å; N151-N160 PolarHBondContact ND2-OD1 2.87Å; N151-N160 WeakPolarHBondContact O-CA 3.26Å; N151-N160 PolarHBondContact OD1-OD1 3.35Å; N151-N160 VanDerWaalsContact OD1-OD1 3.13Å; M152-N160 WeakPolarHBondContact CG-OD1 3.28Å; R157-N160 PolarHBondContact O-ND2 2.96Å; R157-N160 VanDerWaalsContact O-ND2 3.09Å
161	T	67.8	Low	62.4	Low	15 Å²	15	52.1 Å²	52.1	9%	0.092	29%	0.286	C	S	.	.			trans	-85.3	-25.1	179.6	46.6	0	0	0	0	113.6	N151 T159 W176 K177 Y240	N151-T161 PolarHBondContact ND2-N 3.06Å; N151-T161 PolarHBondContact O-N 3.14Å; T159-T161 PolarHBondContact O-N 3Å; T161-W176 CarbonylContact O-C 3.53Å; T161-W176 WeakPolarHBondContact O-CA 3.4Å; T161-W176 WeakPolarHBondContact O-CB 3.42Å; T161-K177 PolarHBondContact O-N 3.27Å; T161-Y240 HydrophobicContact CG2-CE2 4.43Å
162	F	71.2	Confident	62.8	Low	2 Å²	2	52.3 Å²	52.3	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.8	-177.7	-69.3	-91.7	0	0	0	111.6	L148 N151 F174 E175 W176 M179 V187 L189 A225 Y240 I242	L148-F162 HydrophobicContact CD1-CB 3.72Å; N151-F162 HydrophobicContact CB-CB 4.32Å; N151-F162 VanDerWaalsContact CG-O 3.31Å; N151-F162 PolarHBondContact ND2-N 2.84Å; N151-F162 PolarHBondContact ND2-O 2.91Å; N151-F162 PolarHBondContact OD1-O 2.97Å; F162-F174 HydrophobicContact CD1-CD2 4.26Å; F162-E175 CarbonylContact C-O 3.31Å; F162-W176 HydrophobicContact CD1-CB 3.46Å; F162-W176 VanDerWaalsContact CD1-CB 3.46Å; F162-W176 HydrophobicContact CD1-CG 4.3Å; F162-W176 HydrophobicContact CE1-CB 3.45Å; F162-W176 VanDerWaalsContact CE1-CB 3.45Å; F162-W176 HydrophobicContact CE1-CD2 4.34Å; F162-W176 AromaticContact CE1-CG 3.81Å; F162-W176 HydrophobicContact CE1-CG 3.81Å; F162-W176 HydrophobicContact CG-CB 4.03Å; F162-W176 HydrophobicContact CZ-CB 4.02Å; F162-W176 HydrophobicContact CZ-CG 4.24Å; F162-M179 HydrophobicContact CE2-CE 4.45Å; F162-M179 HydrophobicContact CZ-CE 4.33Å; F162-V187 HydrophobicContact CE1-CG1 4.49Å; F162-V187 HydrophobicContact CZ-CG1 4.44Å; F162-L189 HydrophobicContact CD1-CD1 4.37Å; F162-L189 HydrophobicContact CD1-CD2 4.28Å; F162-L189 HydrophobicContact CE1-CD1 3.95Å; F162-L189 HydrophobicContact CE1-CD2 3.94Å; F162-L189 HydrophobicContact CE1-CG 4.26Å; F162-L189 HydrophobicContact CZ-CD2 4.49Å; F162-A225 HydrophobicContact CD2-CB 4.36Å; F162-A225 HydrophobicContact CE1-CB 3.98Å; F162-A225 HydrophobicContact CE2-CB 3.42Å; F162-A225 VanDerWaalsContact CE2-CB 3.42Å; F162-A225 HydrophobicContact CZ-CB 3.2Å; F162-Y240 HydrophobicContact CE2-CD2 4.32Å; F162-I242 HydrophobicContact CB-CD1 4.21Å; F162-I242 HydrophobicContact CD1-CD1 4.1Å; F162-I242 HydrophobicContact CD2-CD1 3.54Å; F162-I242 HydrophobicContact CD2-CG1 4.34Å; F162-I242 HydrophobicContact CE1-CD1 4.45Å; F162-I242 HydrophobicContact CE2-CD1 3.94Å; F162-I242 HydrophobicContact CG-CD1 3.66Å; F162-I242 HydrophobicContact CZ-CD1 4.4Å
163	R	70.2	Confident	63.4	Low	41 Å²	41	49.6 Å²	49.6	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.7	178.4	168.1	-169.2	164.7	-163.7	3.8	109.9	P145 Y147 F174 E175	P145-R163 VanDerWaalsContact CB-CD 3.44Å; P145-R163 HydrophobicContact CB-CG 3.96Å; Y147-R163 HydrophobicContact CD1-CB 4.39Å; R163-F174 CarbonylContact O-C 3.59Å; R163-F174 WeakPolarHBondContact O-CA 3.25Å; R163-F174 VanDerWaalsContact O-CB 3.27Å; R163-F174 WeakPolarHBondContact O-CB 3.45Å; R163-E175 HydrophobicContact CB-CG 3.77Å; R163-E175 WeakPolarHBondContact CD-OE1 3.37Å; R163-E175 HydrophobicContact CG-CG 4.1Å; R163-E175 IonicContact CZ-OE1 2.91Å; R163-E175 IonicContact CZ-OE2 2.95Å; R163-E175 PolarHBondContact N-O 2.87Å; R163-E175 IonicContact NE-OE1 3.26Å; R163-E175 IonicContact NH1-OE1 3.59Å; R163-E175 PolarHBondContact NH1-OE1 2.78Å; R163-E175 IonicContact NH1-OE2 3.29Å; R163-E175 PolarHBondContact NH1-OE2 3.07Å; R163-E175 VanDerWaalsContact NH1-OE2 3.08Å; R163-E175 PolarHBondContact O-N 3.09Å
164	V	68	Low	64.1	Low	9 Å²	9	45.8 Å²	45.8	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.2	171.4	-174.7	0	0	0	0	109.5	L148 E167 M172 Y244 L330	L148-V164 HydrophobicContact CD1-CG2 4.47Å; L148-V164 HydrophobicContact CD2-CG2 3.4Å; L148-V164 HydrophobicContact CG-CG2 4.04Å; V164-E167 HydrophobicContact CG1-CG 3.91Å; V164-M172 HydrophobicContact CB-SD 4.19Å; V164-M172 HydrophobicContact CG1-CE 4.34Å; V164-M172 HydrophobicContact CG1-CG 3.63Å; V164-M172 HydrophobicContact CG1-SD 3.79Å; V164-M172 HydrophobicContact CG2-CE 4.11Å; V164-M172 HydrophobicContact CG2-CG 4.34Å; V164-M172 HydrophobicContact CG2-SD 3.39Å; V164-M172 WeakPolarHBondContact CG2-SD 3.48Å; V164-Y244 HydrophobicContact CG2-CD2 4.2Å; V164-Y244 HydrophobicContact CG2-CE2 4.18Å; V164-L330 HydrophobicContact CG1-CD1 3.82Å
165	I	63	Low	64.7	Low	11 Å²	11	44.2 Å²	44.2	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-28.1	177.6	53.5	168.2	0	0	0	111.9	F43 A173 E175 M208	F43-I165 HydrophobicContact CE1-CD1 4.39Å; F43-I165 HydrophobicContact CE2-CD1 3.74Å; F43-I165 HydrophobicContact CZ-CD1 3.44Å; F43-I165 VanDerWaalsContact CZ-CD1 3.44Å; I165-A173 HydrophobicContact CD1-CB 4Å; I165-A173 VanDerWaalsContact CG1-C 3.47Å; I165-A173 HydrophobicContact CG1-CB 3.82Å; I165-A173 WeakPolarHBondContact CG1-O 3.28Å; I165-A173 PolarHBondContact N-O 3.4Å; I165-E175 HydrophobicContact CG2-CB 3.89Å; I165-E175 HydrophobicContact CG2-CG 3.64Å; I165-E175 VanDerWaalsContact CG2-OE2 3.25Å; I165-E175 WeakPolarHBondContact CG2-OE2 3.3Å; I165-M208 HydrophobicContact CD1-CG 4.46Å; I165-M208 HydrophobicContact CD1-SD 4.12Å
166	Q	62.7	Low	65.4	Low	20 Å²	20	37.3 Å²	37.3	9%	0.093	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	148.3	-178.6	176.6	164	65.1	0	0	111.9	M172 A173 M333	Q166-M172 WeakPolarHBondContact O-CA 3.24Å; Q166-A173 HydrophobicContact CB-CB 4.11Å; Q166-A173 PolarHBondContact N-O 3.2Å; Q166-A173 PolarHBondContact O-N 3.41Å; Q166-M333 VanDerWaalsContact NE2-CG 3.33Å; Q166-M333 PolarHBondContact NE2-SD 3.28Å
167	E	59.3	Low	65.9	Low	10 Å²	10	41.1 Å²	41.1	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.5	174.3	-67.4	171.1	-165.7	0	0	111	V164 M172 I214 Y244 R249 L330	V164-E167 HydrophobicContact CG1-CG 3.91Å; E167-M172 HydrophobicContact CG-CE 4.39Å; E167-M172 HydrophobicContact CG-CG 4.32Å; E167-I214 HydrophobicContact CB-CD1 4.35Å; E167-Y244 WeakPolarHBondContact OE1-CE2 3.13Å; E167-Y244 PolarHBondContact OE1-OH 2.91Å; E167-Y244 PolarHBondContact OE2-OH 2.8Å; E167-R249 IonicContact OE2-NH2 3.21Å; E167-L330 HydrophobicContact CB-CB 3.87Å; E167-L330 HydrophobicContact CB-CD1 4.27Å; E167-L330 HydrophobicContact CG-CB 4.05Å; E167-L330 HydrophobicContact CG-CD1 3.71Å; E167-L330 HydrophobicContact CG-CG 4.46Å
168	Q	57.1	Low	66.6	Low	25 Å²	25	37.9 Å²	37.9	12%	0.117	20%	0.202	C	C	.	.			trans	-126.5	178.6	172	-66.1	-152	0.7	0	0	111	M80 A170 F171 I214 R249 M333	M80-Q168 HydrophobicContact CE-CB 4.33Å; M80-Q168 HydrophobicContact CE-CG 3.95Å; M80-Q168 HydrophobicContact SD-CG 4.26Å; M80-Q168 PolarHBondContact SD-NE2 2.95Å; M80-Q168 PolarHBondContact SD-OE1 2.85Å; M80-Q168 VanDerWaalsContact SD-OE1 3.36Å; Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 2.74Å; Q168-F171 WeakPolarHBondContact CA-O 3.06Å; Q168-F171 HydrophobicContact CB-CB 4.43Å; Q168-F171 WeakPolarHBondContact CB-O 3Å; Q168-F171 PolarHBondContact N-O 2.78Å; Q168-I214 WeakPolarHBondContact O-CD1 3.34Å; Q168-R249 PolarHBondContact O-NH1 2.94Å; Q168-R249 PolarHBondContact O-NH2 2.87Å; Q168-M333 HydrophobicContact CG-CB 4.22Å
169	T	62.7	Low	67.6	Low	107 Å²	107	31.4 Å²	31.4	66%	0.656	17%	0.167	S	C	*	.	S	Bend	trans	-54.4	-48.2	-175.7	-53.5	0	0	0	0	111.3	R249 T332	T169-R249 VanDerWaalsContact CA-NH1 3.27Å; T169-T332 VanDerWaalsContact N-CG2 3.26Å; T169-T332 WeakPolarHBondContact OG1-CG2 3.43Å
170	A	68	Low	68.3	Low	44 Å²	44	34.5 Å²	34.5	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	-109.1	-16.3	-179.9	0	0	0	0	0	114.3	Q168 E212 A213	Q168-A170 VanDerWaalsContact C-N 3.29Å; Q168-A170 PolarHBondContact O-N 2.74Å; A170-E212 CarbonylContact O-C 3.53Å; A170-A213 PolarHBondContact O-N 2.81Å
171	F	69.7	Low	68.9	Low	29 Å²	29	36.6 Å²	36.6	13%	0.127	21%	0.205	C	C	.	.			trans	-125.4	138	-168.6	-52.8	-100.5	0	0	0	114	M80 Q168 L210 L211 E212 I214	M80-F171 HydrophobicContact CE-CB 3.59Å; M80-F171 HydrophobicContact CE-CD1 4.41Å; M80-F171 HydrophobicContact CE-CD2 3.65Å; M80-F171 HydrophobicContact CE-CE2 4.46Å; M80-F171 HydrophobicContact CE-CG 3.66Å; Q168-F171 WeakPolarHBondContact CA-O 3.06Å; Q168-F171 HydrophobicContact CB-CB 4.43Å; Q168-F171 WeakPolarHBondContact CB-O 3Å; Q168-F171 PolarHBondContact N-O 2.78Å; F171-L210 HydrophobicContact CB-CD1 3.85Å; F171-L210 HydrophobicContact CB-CD2 4.38Å; F171-L210 HydrophobicContact CB-CG 4.14Å; F171-L210 HydrophobicContact CD1-CD2 3.62Å; F171-L210 HydrophobicContact CD1-CG 4.04Å; F171-L210 HydrophobicContact CE1-CD2 4.25Å; F171-L210 HydrophobicContact CG-CD2 4.3Å; F171-L211 VanDerWaalsContact CA-O 3.24Å; F171-L211 WeakPolarHBondContact CA-O 3.42Å; F171-E212 HydrophobicContact CD1-CB 4.39Å; F171-E212 HydrophobicContact CD1-CG 3.54Å; F171-E212 HydrophobicContact CE1-CB 4.33Å; F171-E212 HydrophobicContact CE1-CG 3.09Å; F171-E212 HydrophobicContact CZ-CG 3.89Å; F171-I214 WeakPolarHBondContact O-CD1 3.02Å
172	M	72.1	Confident	69.5	Low	6 Å²	6	44.8 Å²	44.8	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.5	168.4	179.3	-170.5	-63.1	0	0	110	V164 Q166 E167 L210 L211 I214 Y244	V164-M172 HydrophobicContact CB-SD 4.19Å; V164-M172 HydrophobicContact CG1-CE 4.34Å; V164-M172 HydrophobicContact CG1-CG 3.63Å; V164-M172 HydrophobicContact CG1-SD 3.79Å; V164-M172 HydrophobicContact CG2-CE 4.11Å; V164-M172 HydrophobicContact CG2-CG 4.34Å; V164-M172 HydrophobicContact CG2-SD 3.39Å; V164-M172 WeakPolarHBondContact CG2-SD 3.48Å; Q166-M172 WeakPolarHBondContact O-CA 3.24Å; E167-M172 HydrophobicContact CG-CE 4.39Å; E167-M172 HydrophobicContact CG-CG 4.32Å; M172-L210 CarbonylContact O-C 3.47Å; M172-L210 WeakPolarHBondContact O-CA 3.36Å; M172-L211 PolarHBondContact N-O 2.78Å; M172-L211 PolarHBondContact O-N 3.35Å; M172-I214 HydrophobicContact CB-CD1 3.86Å; M172-I214 HydrophobicContact CB-CG1 3.81Å; M172-I214 HydrophobicContact CE-CG2 4.39Å; M172-Y244 HydrophobicContact CE-CD1 3.57Å; M172-Y244 HydrophobicContact CE-CD2 3.71Å; M172-Y244 HydrophobicContact CE-CE1 3.22Å; M172-Y244 HydrophobicContact CE-CE2 3.35Å; M172-Y244 HydrophobicContact CE-CG 3.8Å
173	A	70	Confident	69.9	Low	3 Å²	3	47.7 Å²	47.7	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.7	165.4	0	0	0	0	0	110.1	L82 I165 Q166 G209 L210	L82-A173 HydrophobicContact CD1-CB 4.23Å; I165-A173 HydrophobicContact CD1-CB 4Å; I165-A173 VanDerWaalsContact CG1-C 3.47Å; I165-A173 HydrophobicContact CG1-CB 3.82Å; I165-A173 WeakPolarHBondContact CG1-O 3.28Å; I165-A173 PolarHBondContact N-O 3.4Å; Q166-A173 HydrophobicContact CB-CB 4.11Å; Q166-A173 PolarHBondContact N-O 3.2Å; Q166-A173 PolarHBondContact O-N 3.41Å; A173-G209 VanDerWaalsContact CA-O 3.3Å; A173-G209 WeakPolarHBondContact CA-O 3.04Å; A173-L210 HydrophobicContact CB-CD1 4.12Å
174	F	69.9	Low	70.3	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.1	179.2	53.5	-89	0	0	0	109.6	F162 R163 W176 L189 V203 M208 G209 L211	F162-F174 HydrophobicContact CD1-CD2 4.26Å; R163-F174 CarbonylContact O-C 3.59Å; R163-F174 WeakPolarHBondContact O-CA 3.25Å; R163-F174 VanDerWaalsContact O-CB 3.27Å; R163-F174 WeakPolarHBondContact O-CB 3.45Å; F174-W176 AromaticContact CD2-CE3 3.76Å; F174-W176 HydrophobicContact CD2-CE3 3.76Å; F174-W176 HydrophobicContact CD2-CZ3 4.26Å; F174-W176 AromaticContact CE2-CE3 3.46Å; F174-W176 HydrophobicContact CE2-CE3 3.46Å; F174-W176 VanDerWaalsContact CE2-CE3 3.46Å; F174-W176 AromaticContact CE2-CZ3 3.58Å; F174-W176 HydrophobicContact CE2-CZ3 3.58Å; F174-L189 HydrophobicContact CD1-CD1 4.18Å; F174-L189 HydrophobicContact CD2-CD1 3.64Å; F174-L189 HydrophobicContact CE1-CD1 3.55Å; F174-L189 HydrophobicContact CE2-CD1 2.91Å; F174-L189 HydrophobicContact CE2-CG 4.4Å; F174-L189 HydrophobicContact CG-CD1 4.24Å; F174-L189 HydrophobicContact CZ-CD1 2.89Å; F174-L189 HydrophobicContact CZ-CG 4.28Å; F174-V203 HydrophobicContact CE2-CG2 4.28Å; F174-V203 HydrophobicContact CZ-CG2 4Å; F174-M208 CarbonylContact O-C 3.55Å; F174-M208 WeakPolarHBondContact O-CA 3.23Å; F174-M208 WeakPolarHBondContact O-CB 3.23Å; F174-G209 WeakPolarHBondContact CD1-O 3.38Å; F174-G209 VanDerWaalsContact CE1-O 3.29Å; F174-G209 WeakPolarHBondContact CE1-O 3.35Å; F174-G209 PolarHBondContact N-O 3.17Å; F174-G209 PolarHBondContact O-N 2.82Å; F174-L211 HydrophobicContact CE1-CB 4.15Å
175	E	71.2	Confident	70.8	Confident	51 Å²	51	49.5 Å²	49.5	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	150.8	163	70.7	-177.3	-143.8	0	0	109.3	F162 R163 I165 N207 M208	F162-E175 CarbonylContact C-O 3.31Å; R163-E175 HydrophobicContact CB-CG 3.77Å; R163-E175 WeakPolarHBondContact CD-OE1 3.37Å; R163-E175 HydrophobicContact CG-CG 4.1Å; R163-E175 IonicContact CZ-OE1 2.91Å; R163-E175 IonicContact CZ-OE2 2.95Å; R163-E175 PolarHBondContact N-O 2.87Å; R163-E175 IonicContact NE-OE1 3.26Å; R163-E175 IonicContact NH1-OE1 3.59Å; R163-E175 PolarHBondContact NH1-OE1 2.78Å; R163-E175 IonicContact NH1-OE2 3.29Å; R163-E175 PolarHBondContact NH1-OE2 3.07Å; R163-E175 VanDerWaalsContact NH1-OE2 3.08Å; R163-E175 PolarHBondContact O-N 3.09Å; I165-E175 HydrophobicContact CG2-CB 3.89Å; I165-E175 HydrophobicContact CG2-CG 3.64Å; I165-E175 VanDerWaalsContact CG2-OE2 3.25Å; I165-E175 WeakPolarHBondContact CG2-OE2 3.3Å; E175-N207 CarbonylContact C-O 3.55Å; E175-N207 WeakPolarHBondContact CA-O 3.45Å; E175-N207 WeakPolarHBondContact CB-O 3.3Å; E175-M208 HydrophobicContact CB-CG 4.05Å
176	W	73.6	Confident	71.6	Confident	9 Å²	9	49.3 Å²	49.3	3%	0.034	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.7	171.9	80.1	92.8	0	0	0	112.2	T161 F162 F174 V203 G206 N207 M208	T161-W176 CarbonylContact O-C 3.53Å; T161-W176 WeakPolarHBondContact O-CA 3.4Å; T161-W176 WeakPolarHBondContact O-CB 3.42Å; F162-W176 HydrophobicContact CD1-CB 3.46Å; F162-W176 VanDerWaalsContact CD1-CB 3.46Å; F162-W176 HydrophobicContact CD1-CG 4.3Å; F162-W176 HydrophobicContact CE1-CB 3.45Å; F162-W176 VanDerWaalsContact CE1-CB 3.45Å; F162-W176 HydrophobicContact CE1-CD2 4.34Å; F162-W176 AromaticContact CE1-CG 3.81Å; F162-W176 HydrophobicContact CE1-CG 3.81Å; F162-W176 HydrophobicContact CG-CB 4.03Å; F162-W176 HydrophobicContact CZ-CB 4.02Å; F162-W176 HydrophobicContact CZ-CG 4.24Å; F174-W176 AromaticContact CD2-CE3 3.76Å; F174-W176 HydrophobicContact CD2-CE3 3.76Å; F174-W176 HydrophobicContact CD2-CZ3 4.26Å; F174-W176 AromaticContact CE2-CE3 3.46Å; F174-W176 HydrophobicContact CE2-CE3 3.46Å; F174-W176 VanDerWaalsContact CE2-CE3 3.46Å; F174-W176 AromaticContact CE2-CZ3 3.58Å; F174-W176 HydrophobicContact CE2-CZ3 3.58Å; W176-V203 HydrophobicContact CH2-CB 3.37Å; W176-V203 HydrophobicContact CH2-CG1 3.2Å; W176-V203 HydrophobicContact CH2-CG2 4.14Å; W176-V203 HydrophobicContact CZ2-CB 4.18Å; W176-V203 HydrophobicContact CZ2-CG1 4.33Å; W176-V203 HydrophobicContact CZ3-CB 3.73Å; W176-V203 HydrophobicContact CZ3-CG1 3.55Å; W176-V203 HydrophobicContact CZ3-CG2 3.98Å; W176-G206 WeakPolarHBondContact CZ2-O 3.27Å; W176-N207 PolarHBondContact N-O 2.78Å; W176-N207 VanDerWaalsContact O-CB 3.32Å; W176-N207 WeakPolarHBondContact O-CB 3.19Å; W176-M208 WeakPolarHBondContact CH2-O 3.35Å; W176-M208 WeakPolarHBondContact CZ3-O 3.01Å
177	K	72.3	Confident	72.4	Confident	154 Å²	154	48.3 Å²	48.3	67%	0.67	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-89.6	121.5	167.3	-171.2	177.7	-179.7	-179.4	0	108.5	T161 M179	T161-K177 PolarHBondContact O-N 3.27Å; K177-M179 PolarHBondContact O-N 3.48Å
178	P	69.3	Low	73.5	Confident	51 Å²	51	50.2 Å²	50.2	33%	0.331	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-51.3	139.2	-177.8	-29.9	35.8	0	0	0	112.2	A180 F184 N207	P178-A180 PolarHBondContact O-N 2.93Å; P178-F184 HydrophobicContact CB-CD1 4.46Å; P178-F184 HydrophobicContact CB-CE1 4.15Å; P178-N207 WeakPolarHBondContact CD-OD1 3.39Å; P178-N207 WeakPolarHBondContact CG-OD1 3.04Å
179	M	77.7	Confident	74.6	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.034	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.6	133.1	177.6	-55.6	-167.3	-177.7	0	0	109.4	F162 K177 H181 V187 A225 F237 Q238 Y240	F162-M179 HydrophobicContact CE2-CE 4.45Å; F162-M179 HydrophobicContact CZ-CE 4.33Å; K177-M179 PolarHBondContact O-N 3.48Å; M179-H181 PolarHBondContact O-N 2.73Å; M179-V187 HydrophobicContact CE-CG2 3.59Å; M179-V187 HydrophobicContact CG-CG2 4.33Å; M179-V187 HydrophobicContact SD-CG2 4.2Å; M179-A225 HydrophobicContact CE-CB 3.8Å; M179-A225 VanDerWaalsContact CE-O 3.32Å; M179-A225 WeakPolarHBondContact CE-O 3.11Å; M179-F237 HydrophobicContact CB-CE2 3.87Å; M179-F237 HydrophobicContact CB-CZ 3.93Å; M179-F237 HydrophobicContact SD-CE2 4.14Å; M179-F237 HydrophobicContact SD-CZ 4.28Å; M179-Q238 HydrophobicContact SD-CB 3.93Å; M179-Q238 HydrophobicContact SD-CG 4.03Å; M179-Y240 HydrophobicContact CE-CD2 3.43Å; M179-Y240 VanDerWaalsContact CE-CD2 3.43Å; M179-Y240 HydrophobicContact CE-CE2 3.81Å; M179-Y240 HydrophobicContact CG-CD2 4.49Å; M179-Y240 HydrophobicContact CG-CE2 3.93Å; M179-Y240 HydrophobicContact SD-CD2 4.04Å; M179-Y240 HydrophobicContact SD-CE2 3.79Å
180	A	75.4	Confident	75.5	Confident	101 Å²	101	44.5 Å²	44.5	84%	0.835	23%	0.234	S	C	*	.			trans	-74	93.9	-178	0	0	0	0	0	110.6	P178	P178-A180 PolarHBondContact O-N 2.93Å
181	H	75.6	Confident	76	Confident	67 Å²	67	43.3 Å²	43.3	31%	0.31	22%	0.221	S	C	.	.			trans	-144.6	135.6	172.9	-167.3	-89.4	0	0	0	110.3	M179 D183 F184 F237	M179-H181 PolarHBondContact O-N 2.73Å; H181-D183 IonicContact CE1-OD2 2.73Å; H181-D183 PolarHBondContact ND1-N 3.1Å; H181-D183 VanDerWaalsContact ND1-N 3.2Å; H181-D183 PolarHBondContact O-N 3.41Å; H181-D183 VanDerWaalsContact O-N 3.14Å; H181-F184 HydrophobicContact CB-CB 4.3Å; H181-F184 WeakPolarHBondContact O-CB 3.33Å; H181-F184 PolarHBondContact O-N 3.14Å; H181-F184 VanDerWaalsContact O-N 3.09Å; H181-F237 HydrophobicContact CB-CD1 4.31Å; H181-F237 HydrophobicContact CB-CD2 3.78Å; H181-F237 HydrophobicContact CB-CE1 3.97Å; H181-F237 HydrophobicContact CB-CE2 3.45Å; H181-F237 VanDerWaalsContact CB-CE2 3.45Å; H181-F237 HydrophobicContact CB-CG 4.23Å; H181-F237 HydrophobicContact CB-CZ 3.55Å; H181-F237 AromaticContact CD2-CD2 3.61Å; H181-F237 AromaticContact CD2-CG 3.67Å; H181-F237 AromaticContact CG-CD1 3.95Å; H181-F237 AromaticContact CG-CD2 3.73Å; H181-F237 AromaticContact CG-CE2 3.93Å; H181-F237 AromaticContact CG-CG 3.78Å
182	K	80.3	Confident	76.1	Confident	188 Å²	188	45.3 Å²	45.3	82%	0.817	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.6	-175.9	59.2	171.1	-173.4	176.3	0	113.9
183	D	78.7	Confident	75.9	Confident	62 Å²	62	47.2 Å²	47.2	33%	0.332	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	23.8	-178.8	-50.1	-45.6	0	0	0	111.4	H181 N185 N229	H181-D183 IonicContact CE1-OD2 2.73Å; H181-D183 PolarHBondContact ND1-N 3.1Å; H181-D183 VanDerWaalsContact ND1-N 3.2Å; H181-D183 PolarHBondContact O-N 3.41Å; H181-D183 VanDerWaalsContact O-N 3.14Å; D183-N185 PolarHBondContact O-N 3.48Å; D183-N229 HydrophobicContact CB-CB 3.88Å; D183-N229 WeakPolarHBondContact O-CA 3.24Å; D183-N229 VanDerWaalsContact O-CB 3.25Å; D183-N229 WeakPolarHBondContact O-CB 3.31Å
184	F	79	Confident	75.5	Confident	38 Å²	38	56 Å²	56	17%	0.167	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.5	177.2	173.7	-108.6	0	0	0	110.6	P178 H181 Y186 V187 F237	P178-F184 HydrophobicContact CB-CD1 4.46Å; P178-F184 HydrophobicContact CB-CE1 4.15Å; H181-F184 HydrophobicContact CB-CB 4.3Å; H181-F184 WeakPolarHBondContact O-CB 3.33Å; H181-F184 PolarHBondContact O-N 3.14Å; H181-F184 VanDerWaalsContact O-N 3.09Å; F184-Y186 VanDerWaalsContact CE2-C 3.5Å; F184-Y186 WeakPolarHBondContact CE2-O 3.19Å; F184-V187 HydrophobicContact CE2-CG2 4.05Å; F184-V187 HydrophobicContact CZ-CG2 4.49Å; F184-F237 HydrophobicContact CD2-CE1 4.07Å; F184-F237 AromaticContact CD2-CZ 3.8Å; F184-F237 HydrophobicContact CD2-CZ 3.8Å
185	N	79	Confident	74.7	Confident	50 Å²	50	64.2 Å²	64.2	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-49.1	176.3	-175.3	1.8	0	0	0	111.5	D183 E205 H228 G230	D183-N185 PolarHBondContact O-N 3.48Å; N185-E205 PolarHBondContact O-N 2.84Å; N185-H228 PolarHBondContact N-O 3.41Å; N185-G230 VanDerWaalsContact ND2-CA 3.25Å; N185-G230 WeakPolarHBondContact ND2-CA 3.07Å
186	Y	78.8	Confident	74.3	Confident	7 Å²	7	71.5 Å²	71.5	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.5	-178.9	62.3	-96.8	0	0	0	111.8	F184 F188 K202 V203 Y204 H228 F234	F184-Y186 VanDerWaalsContact CE2-C 3.5Å; F184-Y186 WeakPolarHBondContact CE2-O 3.19Å; Y186-F188 HydrophobicContact CD2-CD2 4.17Å; Y186-F188 HydrophobicContact CD2-CE2 4.23Å; Y186-F188 AromaticContact CE2-CD2 3.54Å; Y186-F188 HydrophobicContact CE2-CD2 3.54Å; Y186-F188 AromaticContact CE2-CE2 3.35Å; Y186-F188 HydrophobicContact CE2-CE2 3.35Å; Y186-F188 HydrophobicContact CE2-CG 4.39Å; Y186-F188 HydrophobicContact CE2-CZ 4.1Å; Y186-K202 HydrophobicContact CD2-CD 4.17Å; Y186-K202 HydrophobicContact CD2-CG 3.89Å; Y186-K202 VanDerWaalsContact CE1-CE 3.48Å; Y186-K202 HydrophobicContact CE2-CD 4.35Å; Y186-K202 VanDerWaalsContact CE2-CE 3.48Å; Y186-K202 HydrophobicContact CE2-CG 4.43Å; Y186-K202 HydrophobicContact CG-CD 4.39Å; Y186-K202 HydrophobicContact CG-CG 4.22Å; Y186-V203 CarbonylContact C-O 3.55Å; Y186-V203 VanDerWaalsContact CA-O 3.25Å; Y186-V203 WeakPolarHBondContact CA-O 3.39Å; Y186-V203 WeakPolarHBondContact CB-O 3.46Å; Y186-Y204 HydrophobicContact CD1-CE1 4.47Å; Y186-H228 HydrophobicContact CD1-CB 4.39Å; Y186-H228 HydrophobicContact CD2-CB 3.88Å; Y186-H228 HydrophobicContact CE1-CB 3.93Å; Y186-H228 HydrophobicContact CE2-CB 3.33Å; Y186-H228 AromaticContact CE2-CD2 3.53Å; Y186-H228 AromaticContact CE2-CG 3.42Å; Y186-H228 VanDerWaalsContact CE2-CG 3.42Å; Y186-H228 HydrophobicContact CG-CB 4.37Å; Y186-H228 AromaticContact CZ-CG 3.73Å; Y186-H228 PolarHBondContact N-O 2.93Å; Y186-H228 PolarHBondContact O-N 3.36Å; Y186-F234 VanDerWaalsContact OH-CD1 3.27Å; Y186-F234 WeakPolarHBondContact OH-CD1 3.1Å
187	V	80.2	Confident	73.8	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.2	168	142.3	0	0	0	0	109.5	F162 M179 F184 L189 V203 E226	F162-V187 HydrophobicContact CE1-CG1 4.49Å; F162-V187 HydrophobicContact CZ-CG1 4.44Å; M179-V187 HydrophobicContact CE-CG2 3.59Å; M179-V187 HydrophobicContact CG-CG2 4.33Å; M179-V187 HydrophobicContact SD-CG2 4.2Å; F184-V187 HydrophobicContact CE2-CG2 4.05Å; F184-V187 HydrophobicContact CZ-CG2 4.49Å; V187-L189 HydrophobicContact CG1-CD1 4.24Å; V187-L189 HydrophobicContact CG1-CG 3.9Å; V187-V203 PolarHBondContact N-O 2.81Å; V187-V203 PolarHBondContact O-N 2.86Å; V187-E226 CarbonylContact C-O 3.36Å; V187-E226 VanDerWaalsContact CA-O 3.27Å; V187-E226 WeakPolarHBondContact CA-O 2.98Å
188	F	83.4	Confident	73.6	Confident	50 Å²	50	72.4 Å²	72.4	22%	0.219	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.3	157.2	-82.4	-64.7	0	0	0	109	Y186 V190 A201 K202 A225 E226 H228	Y186-F188 HydrophobicContact CD2-CD2 4.17Å; Y186-F188 HydrophobicContact CD2-CE2 4.23Å; Y186-F188 AromaticContact CE2-CD2 3.54Å; Y186-F188 HydrophobicContact CE2-CD2 3.54Å; Y186-F188 AromaticContact CE2-CE2 3.35Å; Y186-F188 HydrophobicContact CE2-CE2 3.35Å; Y186-F188 HydrophobicContact CE2-CG 4.39Å; Y186-F188 HydrophobicContact CE2-CZ 4.1Å; F188-V190 HydrophobicContact CB-CG2 3.98Å; F188-A201 WeakPolarHBondContact CA-O 3.21Å; F188-K202 HydrophobicContact CD1-CB 3.81Å; F188-K202 HydrophobicContact CD1-CG 4.07Å; F188-K202 HydrophobicContact CE1-CB 3.46Å; F188-K202 VanDerWaalsContact CE1-CB 3.46Å; F188-K202 HydrophobicContact CE1-CD 3.87Å; F188-K202 HydrophobicContact CE1-CG 3.68Å; F188-K202 HydrophobicContact CZ-CB 4.24Å; F188-K202 HydrophobicContact CZ-CD 3.77Å; F188-K202 HydrophobicContact CZ-CG 4.01Å; F188-A225 CarbonylContact O-C 3.57Å; F188-A225 WeakPolarHBondContact O-CA 3.22Å; F188-E226 HydrophobicContact CB-CB 4.37Å; F188-E226 PolarHBondContact N-O 3.09Å; F188-E226 PolarHBondContact O-N 3.23Å; F188-H228 AromaticContact CD2-CD2 3.69Å; F188-H228 AromaticContact CD2-NE2 3.52Å
189	L	80	Confident	73.5	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.037	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.8	164.3	-84.1	157	0	0	0	108.9	F162 F174 V187 T200 A201 L211 R224 A225 I242	F162-L189 HydrophobicContact CD1-CD1 4.37Å; F162-L189 HydrophobicContact CD1-CD2 4.28Å; F162-L189 HydrophobicContact CE1-CD1 3.95Å; F162-L189 HydrophobicContact CE1-CD2 3.94Å; F162-L189 HydrophobicContact CE1-CG 4.26Å; F162-L189 HydrophobicContact CZ-CD2 4.49Å; F174-L189 HydrophobicContact CD1-CD1 4.18Å; F174-L189 HydrophobicContact CD2-CD1 3.64Å; F174-L189 HydrophobicContact CE1-CD1 3.55Å; F174-L189 HydrophobicContact CE2-CD1 2.91Å; F174-L189 HydrophobicContact CE2-CG 4.4Å; F174-L189 HydrophobicContact CG-CD1 4.24Å; F174-L189 HydrophobicContact CZ-CD1 2.89Å; F174-L189 HydrophobicContact CZ-CG 4.28Å; V187-L189 HydrophobicContact CG1-CD1 4.24Å; V187-L189 HydrophobicContact CG1-CG 3.9Å; L189-T200 CarbonylContact O-C 3.57Å; L189-T200 VanDerWaalsContact O-CA 3.3Å; L189-T200 WeakPolarHBondContact O-CA 3.02Å; L189-A201 HydrophobicContact CB-CB 4.45Å; L189-A201 PolarHBondContact N-O 2.86Å; L189-A201 PolarHBondContact O-N 3.43Å; L189-L211 HydrophobicContact CB-CD1 4.44Å; L189-R224 WeakPolarHBondContact CA-O 2.89Å; L189-A225 HydrophobicContact CD2-CB 3.74Å; L189-A225 HydrophobicContact CG-CB 4.43Å; L189-I242 HydrophobicContact CD2-CD1 3.85Å
190	V	80.8	Confident	73.2	Confident	4 Å²	4	75.2 Å²	75.2	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.5	-170.1	-172.9	0	0	0	0	107.4	F188 D198 T200 Y223 R224 E226	F188-V190 HydrophobicContact CB-CG2 3.98Å; V190-D198 HydrophobicContact CG1-CB 3.63Å; V190-D198 WeakPolarHBondContact CG1-OD2 3.43Å; V190-T200 HydrophobicContact CB-CG2 4.39Å; V190-T200 HydrophobicContact CG1-CG2 4.07Å; V190-T200 HydrophobicContact CG2-CG2 4.03Å; V190-Y223 CarbonylContact O-C 3.48Å; V190-Y223 WeakPolarHBondContact O-CA 2.93Å; V190-R224 HydrophobicContact CB-CB 4.33Å; V190-R224 PolarHBondContact N-O 3.08Å; V190-R224 PolarHBondContact O-N 3.37Å; V190-E226 HydrophobicContact CG2-CG 4.3Å
191	Q	77.8	Confident	73	Confident	20 Å²	20	71.1 Å²	71.1	9%	0.093	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.4	166.5	-171.7	175	1.9	0	0	109.3	V193 D198 V199 A213 Y223	Q191-V193 HydrophobicContact CB-CG2 4.25Å; Q191-V193 HydrophobicContact CG-CG2 3.91Å; Q191-V193 PolarHBondContact O-N 3.32Å; Q191-V193 VanDerWaalsContact O-N 3.1Å; Q191-D198 WeakPolarHBondContact O-CA 2.99Å; Q191-V199 HydrophobicContact CB-CB 4.29Å; Q191-V199 PolarHBondContact N-O 3.02Å; Q191-V199 PolarHBondContact O-N 2.52Å; Q191-A213 PolarHBondContact OE1-O 3.41Å; Q191-A213 VanDerWaalsContact OE1-O 3.05Å; Q191-Y223 HydrophobicContact CB-CD1 3.51Å; Q191-Y223 HydrophobicContact CB-CE1 3.44Å; Q191-Y223 VanDerWaalsContact CB-CE1 3.44Å; Q191-Y223 HydrophobicContact CG-CD1 3.68Å; Q191-Y223 HydrophobicContact CG-CE1 3.28Å
192	D	72.2	Confident	72.9	Confident	71 Å²	71	70.7 Å²	70.7	38%	0.38	34%	0.342	S	S	.	.			trans	-76.1	100.2	172.2	-63.5	-29.1	0	0	0	108.5	R224	D192-R224 IonicContact OD1-CZ 3.24Å; D192-R224 VanDerWaalsContact OD1-CZ 3.28Å; D192-R224 IonicContact OD1-NE 2.67Å; D192-R224 PolarHBondContact OD1-NE 3.45Å; D192-R224 IonicContact OD1-NH2 2.84Å; D192-R224 PolarHBondContact OD1-NH2 2.55Å; D192-R224 IonicContact OD2-NE 3.79Å; D192-R224 PolarHBondContact OD2-NE 2.91Å
193	V	68.6	Low	72.4	Confident	45 Å²	45	62.6 Å²	62.6	27%	0.273	31%	0.308	S	S	.	.			trans	-98	115	178.6	-171.6	0	0	0	0	109.5	Q191 F195 W196 V199	Q191-V193 HydrophobicContact CB-CG2 4.25Å; Q191-V193 HydrophobicContact CG-CG2 3.91Å; Q191-V193 PolarHBondContact O-N 3.32Å; Q191-V193 VanDerWaalsContact O-N 3.1Å; V193-F195 PolarHBondContact O-N 3.45Å; V193-W196 HydrophobicContact CB-CB 4.15Å; V193-W196 HydrophobicContact CG1-CB 3.86Å; V193-W196 HydrophobicContact CG1-CG 4.17Å; V193-W196 PolarHBondContact O-N 2.73Å; V193-W196 VanDerWaalsContact O-N 3.13Å; V193-V199 HydrophobicContact CG2-CG2 4.03Å
194	Y	62.5	Low	71.8	Confident	188 Å²	188	64.3 Å²	64.3	74%	0.737	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	124	-178.9	-162.8	-116.2	0	0	0	111	W196	Y194-W196 VanDerWaalsContact C-N 3.35Å; Y194-W196 PolarHBondContact O-N 3.18Å
195	F	53.3	Low	70.8	Confident	178 Å²	178	70 Å²	70	78%	0.781	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	3.7	-175.5	-61.6	-68.8	0	0	0	118.1	V193	V193-F195 PolarHBondContact O-N 3.45Å
196	W	61.4	Low	70.1	Confident	205 Å²	205	68.4 Å²	68.4	78%	0.777	33%	0.332	S	S	*	.	S	Bend	trans	-123.8	169	178.8	-62.6	83.1	0	0	0	111.3	V193 Y194	V193-W196 HydrophobicContact CB-CB 4.15Å; V193-W196 HydrophobicContact CG1-CB 3.86Å; V193-W196 HydrophobicContact CG1-CG 4.17Å; V193-W196 PolarHBondContact O-N 2.73Å; V193-W196 VanDerWaalsContact O-N 3.13Å; Y194-W196 VanDerWaalsContact C-N 3.35Å; Y194-W196 PolarHBondContact O-N 3.18Å
197	S	64.1	Low	69.6	Low	107 Å²	107	71.8 Å²	71.8	75%	0.748	35%	0.351	S	S	*	.			trans	-63.2	138.9	167.3	-55	0	0	0	0	109.3	V199	S197-V199 PolarHBondContact O-N 2.96Å
198	D	68.1	Low	69	Low	74 Å²	74	72.8 Å²	72.8	40%	0.396	36%	0.356	S	S	.	.			trans	-52.5	134.7	175.1	-66	-14.8	0	0	0	110.1	V190 Q191 T200 R224	V190-D198 HydrophobicContact CG1-CB 3.63Å; V190-D198 WeakPolarHBondContact CG1-OD2 3.43Å; Q191-D198 WeakPolarHBondContact O-CA 2.99Å; D198-T200 HydrophobicContact CB-CG2 4.06Å; D198-T200 PolarHBondContact O-N 2.86Å; D198-R224 IonicContact OD2-NH2 3.73Å; D198-R224 PolarHBondContact OD2-NH2 3.24Å
199	V	67.5	Low	68.3	Low	41 Å²	41	70.7 Å²	70.7	25%	0.248	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.4	170	179.4	0	0	0	0	106.5	Q191 V193 S197 L211 E212 A213	Q191-V199 HydrophobicContact CB-CB 4.29Å; Q191-V199 PolarHBondContact N-O 3.02Å; Q191-V199 PolarHBondContact O-N 2.52Å; V193-V199 HydrophobicContact CG2-CG2 4.03Å; S197-V199 PolarHBondContact O-N 2.96Å; V199-L211 HydrophobicContact CG1-CD1 4.38Å; V199-E212 HydrophobicContact CG1-CB 4.1Å; V199-A213 HydrophobicContact CG1-CB 4.4Å; V199-A213 HydrophobicContact CG2-CB 4.25Å
200	T	71.2	Confident	67.9	Low	77 Å²	77	72.8 Å²	72.8	47%	0.472	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.6	-176.8	63	0	0	0	0	111.4	L189 V190 D198	L189-T200 CarbonylContact O-C 3.57Å; L189-T200 VanDerWaalsContact O-CA 3.3Å; L189-T200 WeakPolarHBondContact O-CA 3.02Å; V190-T200 HydrophobicContact CB-CG2 4.39Å; V190-T200 HydrophobicContact CG1-CG2 4.07Å; V190-T200 HydrophobicContact CG2-CG2 4.03Å; D198-T200 HydrophobicContact CB-CG2 4.06Å; D198-T200 PolarHBondContact O-N 2.86Å
201	A	70.1	Confident	67.5	Low	15 Å²	15	72.9 Å²	72.9	12%	0.124	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.6	166.8	0	0	0	0	0	109.4	F188 L189 L210 L211	F188-A201 WeakPolarHBondContact CA-O 3.21Å; L189-A201 HydrophobicContact CB-CB 4.45Å; L189-A201 PolarHBondContact N-O 2.86Å; L189-A201 PolarHBondContact O-N 3.43Å; A201-L210 WeakPolarHBondContact CB-O 3.42Å; A201-L211 HydrophobicContact CB-CD1 3.88Å
202	K	73.8	Confident	66.8	Low	58 Å²	58	77.7 Å²	77.7	25%	0.252	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	170.5	-165.1	172.3	-179.9	177.2	0	109.2	Y186 F188 Y204	Y186-K202 HydrophobicContact CD2-CD 4.17Å; Y186-K202 HydrophobicContact CD2-CG 3.89Å; Y186-K202 VanDerWaalsContact CE1-CE 3.48Å; Y186-K202 HydrophobicContact CE2-CD 4.35Å; Y186-K202 VanDerWaalsContact CE2-CE 3.48Å; Y186-K202 HydrophobicContact CE2-CG 4.43Å; Y186-K202 HydrophobicContact CG-CD 4.39Å; Y186-K202 HydrophobicContact CG-CG 4.22Å; F188-K202 HydrophobicContact CD1-CB 3.81Å; F188-K202 HydrophobicContact CD1-CG 4.07Å; F188-K202 HydrophobicContact CE1-CB 3.46Å; F188-K202 VanDerWaalsContact CE1-CB 3.46Å; F188-K202 HydrophobicContact CE1-CD 3.87Å; F188-K202 HydrophobicContact CE1-CG 3.68Å; F188-K202 HydrophobicContact CZ-CB 4.24Å; F188-K202 HydrophobicContact CZ-CD 3.77Å; F188-K202 HydrophobicContact CZ-CG 4.01Å; K202-Y204 HydrophobicContact CB-CE2 4.38Å; K202-Y204 HydrophobicContact CD-CD2 4.47Å; K202-Y204 HydrophobicContact CD-CE1 4.31Å; K202-Y204 HydrophobicContact CD-CE2 3.57Å; K202-Y204 WeakPolarHBondContact CD-OH 3.05Å; K202-Y204 VanDerWaalsContact CE-OH 3.27Å; K202-Y204 WeakPolarHBondContact CE-OH 3Å; K202-Y204 HydrophobicContact CG-CD2 4.27Å; K202-Y204 HydrophobicContact CG-CE2 3.79Å; K202-Y204 PolarHBondContact NZ-OH 3.18Å
203	V	70	Confident	66.4	Low	18 Å²	18	75.6 Å²	75.6	11%	0.109	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.9	177.2	-138.5	0	0	0	0	110.3	F174 W176 Y186 V187 M208	F174-V203 HydrophobicContact CE2-CG2 4.28Å; F174-V203 HydrophobicContact CZ-CG2 4Å; W176-V203 HydrophobicContact CH2-CB 3.37Å; W176-V203 HydrophobicContact CH2-CG1 3.2Å; W176-V203 HydrophobicContact CH2-CG2 4.14Å; W176-V203 HydrophobicContact CZ2-CB 4.18Å; W176-V203 HydrophobicContact CZ2-CG1 4.33Å; W176-V203 HydrophobicContact CZ3-CB 3.73Å; W176-V203 HydrophobicContact CZ3-CG1 3.55Å; W176-V203 HydrophobicContact CZ3-CG2 3.98Å; Y186-V203 CarbonylContact C-O 3.55Å; Y186-V203 VanDerWaalsContact CA-O 3.25Å; Y186-V203 WeakPolarHBondContact CA-O 3.39Å; Y186-V203 WeakPolarHBondContact CB-O 3.46Å; V187-V203 PolarHBondContact N-O 2.81Å; V187-V203 PolarHBondContact O-N 2.86Å; V203-M208 WeakPolarHBondContact CG1-O 3.42Å
204	Y	65.2	Low	66.4	Low	98 Å²	98	74.4 Å²	74.4	38%	0.384	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	176.1	177.6	-67.5	-92.5	0	0	0	110.2	Y186 K202 G206	Y186-Y204 HydrophobicContact CD1-CE1 4.47Å; K202-Y204 HydrophobicContact CB-CE2 4.38Å; K202-Y204 HydrophobicContact CD-CD2 4.47Å; K202-Y204 HydrophobicContact CD-CE1 4.31Å; K202-Y204 HydrophobicContact CD-CE2 3.57Å; K202-Y204 WeakPolarHBondContact CD-OH 3.05Å; K202-Y204 VanDerWaalsContact CE-OH 3.27Å; K202-Y204 WeakPolarHBondContact CE-OH 3Å; K202-Y204 HydrophobicContact CG-CD2 4.27Å; K202-Y204 HydrophobicContact CG-CE2 3.79Å; K202-Y204 PolarHBondContact NZ-OH 3.18Å; Y204-G206 PolarHBondContact O-N 2.79Å
205	E	59.6	Low	66.8	Low	157 Å²	157	65.7 Å²	65.7	73%	0.734	33%	0.334	S	S	*	.	S	Bend	trans	-30.1	129.1	175.2	-70.1	-174.3	162.6	0	0	113.1	N185	N185-E205 PolarHBondContact O-N 2.84Å
206	G	62.6	Low	68.1	Low	16 Å²	16	62.4 Å²	62.4	17%	0.165	32%	0.321	C	S	.	.	S	Bend	trans	137.6	-178	-168.8	0	0	0	0	0	110.9	E84 W176 Y204	E84-G206 WeakPolarHBondContact OE1-CA 3.3Å; W176-G206 WeakPolarHBondContact CZ2-O 3.27Å; Y204-G206 PolarHBondContact O-N 2.79Å
207	N	68.7	Low	69.1	Low	79 Å²	79	52.7 Å²	52.7	42%	0.422	29%	0.285	S	S	.	.	S	Bend	trans	-124.1	14.3	-176.1	-60.1	-34.9	0	0	0	112.6	E84 E175 W176 P178	E84-N207 PolarHBondContact OE1-N 2.72Å; E175-N207 CarbonylContact C-O 3.55Å; E175-N207 WeakPolarHBondContact CA-O 3.45Å; E175-N207 WeakPolarHBondContact CB-O 3.3Å; W176-N207 PolarHBondContact N-O 2.78Å; W176-N207 VanDerWaalsContact O-CB 3.32Å; W176-N207 WeakPolarHBondContact O-CB 3.19Å; P178-N207 WeakPolarHBondContact CD-OD1 3.39Å; P178-N207 WeakPolarHBondContact CG-OD1 3.04Å
208	M	67.9	Low	70.1	Confident	21 Å²	21	49.1 Å²	49.1	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.3	-178	-52.3	173.2	-79.3	0	0	114.8	F43 L82 E84 I165 F174 E175 W176 V203	F43-M208 HydrophobicContact CB-CE 3.33Å; F43-M208 HydrophobicContact CB-SD 3.8Å; F43-M208 HydrophobicContact CD1-CE 3.82Å; F43-M208 HydrophobicContact CD1-SD 3.24Å; F43-M208 WeakPolarHBondContact CD1-SD 3.32Å; F43-M208 HydrophobicContact CD2-CE 4.3Å; F43-M208 HydrophobicContact CD2-SD 3.67Å; F43-M208 HydrophobicContact CE1-SD 3.45Å; F43-M208 WeakPolarHBondContact CE1-SD 3.23Å; F43-M208 HydrophobicContact CE2-SD 3.86Å; F43-M208 HydrophobicContact CG-CE 3.61Å; F43-M208 HydrophobicContact CG-SD 3.31Å; F43-M208 WeakPolarHBondContact CG-SD 3.47Å; F43-M208 HydrophobicContact CZ-SD 3.7Å; L82-M208 HydrophobicContact CD1-CB 3.78Å; L82-M208 HydrophobicContact CD1-SD 4.36Å; E84-M208 HydrophobicContact CB-CE 4.49Å; E84-M208 HydrophobicContact CG-CE 3.45Å; E84-M208 VanDerWaalsContact CG-CE 3.45Å; I165-M208 HydrophobicContact CD1-CG 4.46Å; I165-M208 HydrophobicContact CD1-SD 4.12Å; F174-M208 CarbonylContact O-C 3.55Å; F174-M208 WeakPolarHBondContact O-CA 3.23Å; F174-M208 WeakPolarHBondContact O-CB 3.23Å; E175-M208 HydrophobicContact CB-CG 4.05Å; W176-M208 WeakPolarHBondContact CH2-O 3.35Å; W176-M208 WeakPolarHBondContact CZ3-O 3.01Å; V203-M208 WeakPolarHBondContact CG1-O 3.42Å
209	G	69.5	Low	70.9	Confident	6 Å²	6	50.2 Å²	50.2	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	176.2	-178.5	0	0	0	0	0	113.1	A173 F174	A173-G209 VanDerWaalsContact CA-O 3.3Å; A173-G209 WeakPolarHBondContact CA-O 3.04Å; F174-G209 WeakPolarHBondContact CD1-O 3.38Å; F174-G209 VanDerWaalsContact CE1-O 3.29Å; F174-G209 WeakPolarHBondContact CE1-O 3.35Å; F174-G209 PolarHBondContact N-O 3.17Å; F174-G209 PolarHBondContact O-N 2.82Å
210	L	70.3	Confident	71.6	Confident	51 Å²	51	51.7 Å²	51.7	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	-175.8	-167.8	76.5	0	0	0	109.7	M80 F171 M172 A173 A201	M80-L210 HydrophobicContact CB-CD2 4.47Å; M80-L210 HydrophobicContact CE-CD1 4.3Å; F171-L210 HydrophobicContact CB-CD1 3.85Å; F171-L210 HydrophobicContact CB-CD2 4.38Å; F171-L210 HydrophobicContact CB-CG 4.14Å; F171-L210 HydrophobicContact CD1-CD2 3.62Å; F171-L210 HydrophobicContact CD1-CG 4.04Å; F171-L210 HydrophobicContact CE1-CD2 4.25Å; F171-L210 HydrophobicContact CG-CD2 4.3Å; M172-L210 CarbonylContact O-C 3.47Å; M172-L210 WeakPolarHBondContact O-CA 3.36Å; A173-L210 HydrophobicContact CB-CD1 4.12Å; A201-L210 WeakPolarHBondContact CB-O 3.42Å
211	L	72.4	Confident	72	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.2	177.1	-167.3	66.7	0	0	0	110.6	F171 M172 F174 L189 V199 A201 A213 Y223	F171-L211 VanDerWaalsContact CA-O 3.24Å; F171-L211 WeakPolarHBondContact CA-O 3.42Å; M172-L211 PolarHBondContact N-O 2.78Å; M172-L211 PolarHBondContact O-N 3.35Å; F174-L211 HydrophobicContact CE1-CB 4.15Å; L189-L211 HydrophobicContact CB-CD1 4.44Å; V199-L211 HydrophobicContact CG1-CD1 4.38Å; A201-L211 HydrophobicContact CB-CD1 3.88Å; L211-A213 VanDerWaalsContact C-N 3.28Å; L211-A213 PolarHBondContact O-N 2.93Å; L211-Y223 HydrophobicContact CD2-CD1 3.4Å; L211-Y223 VanDerWaalsContact CD2-CD1 3.4Å; L211-Y223 HydrophobicContact CD2-CE1 3.08Å; L211-Y223 HydrophobicContact CD2-CG 4.45Å; L211-Y223 HydrophobicContact CG-CE1 4.35Å
212	E	64.3	Low	72.6	Confident	121 Å²	121	54.7 Å²	54.7	57%	0.565	28%	0.276	S	S	*	.	S	Bend	trans	-80.1	1.2	-169.7	-122.8	-172.1	165.5	0	0	116.1	A170 F171 V199	A170-E212 CarbonylContact O-C 3.53Å; F171-E212 HydrophobicContact CD1-CB 4.39Å; F171-E212 HydrophobicContact CD1-CG 3.54Å; F171-E212 HydrophobicContact CE1-CB 4.33Å; F171-E212 HydrophobicContact CE1-CG 3.09Å; F171-E212 HydrophobicContact CZ-CG 3.89Å; V199-E212 HydrophobicContact CG1-CB 4.1Å
213	A	63.6	Low	72.9	Confident	27 Å²	27	52.3 Å²	52.3	22%	0.223	27%	0.266	C	S	.	.			trans	-142.8	124.6	177.8	0	0	0	0	0	109.6	A170 Q191 V199 L211 Y223	A170-A213 PolarHBondContact O-N 2.81Å; Q191-A213 PolarHBondContact OE1-O 3.41Å; Q191-A213 VanDerWaalsContact OE1-O 3.05Å; V199-A213 HydrophobicContact CG1-CB 4.4Å; V199-A213 HydrophobicContact CG2-CB 4.25Å; L211-A213 VanDerWaalsContact C-N 3.28Å; L211-A213 PolarHBondContact O-N 2.93Å; A213-Y223 PolarHBondContact O-OH 3.44Å
214	I	67.5	Low	73.5	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.108	27%	0.272	C	S	.	.			trans	-105.8	132.3	175.1	-61.3	176.6	0	0	0	107.2	E167 Q168 F171 M172 Y244	E167-I214 HydrophobicContact CB-CD1 4.35Å; Q168-I214 WeakPolarHBondContact O-CD1 3.34Å; F171-I214 WeakPolarHBondContact O-CD1 3.02Å; M172-I214 HydrophobicContact CB-CD1 3.86Å; M172-I214 HydrophobicContact CB-CG1 3.81Å; M172-I214 HydrophobicContact CE-CG2 4.39Å; I214-Y244 HydrophobicContact CG2-CE1 3.77Å
215	G	71.8	Confident	74.4	Confident	5 Å²	5	49.7 Å²	49.7	5%	0.052	25%	0.253	C	S	.	.			trans	-45.8	151.7	170.2	0	0	0	0	0	115.1	S221 Y223 R246	G215-S221 WeakPolarHBondContact CA-OG 3.42Å; G215-Y223 PolarHBondContact N-OH 3.31Å; G215-R246 PolarHBondContact O-NE 3.22Å; G215-R246 PolarHBondContact O-NH2 3.45Å
216	E	80	Confident	75.6	Confident	108 Å²	108	44 Å²	44	51%	0.505	23%	0.227	S	C	.	.			trans	-57.9	145.3	169.6	-71.5	-59.6	145.1	0	0	110.9	E219	E216-E219 HydrophobicContact CB-CB 4.24Å; E216-E219 HydrophobicContact CB-CG 4.35Å; E216-E219 PolarHBondContact O-N 3.14Å
217	P	82.2	Confident	76.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.013	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-67.9	141.8	-178.6	30.1	-26.9	0	0	0	109.5	E219 R246 P248 E270 R271	P217-E219 PolarHBondContact O-N 2.99Å; P217-R246 VanDerWaalsContact CD-NH2 3.27Å; P217-P248 HydrophobicContact CB-CB 4.17Å; P217-P248 HydrophobicContact CB-CG 3.98Å; P217-E270 HydrophobicContact CG-CG 4.48Å; P217-R271 HydrophobicContact CG-CB 4.04Å; P217-R271 PolarHBondContact O-NH1 2.8Å
218	C	85.4	Confident	77.3	Confident	31 Å²	31	40.3 Å²	40.3	21%	0.209	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-1.5	-173.1	-49.4	0	0	0	0	116.2	K245 R246 P248 C274	C218-K245 WeakPolarHBondContact O-CE 3.45Å; C218-R246 PolarHBondContact N-O 2.83Å; C218-P248 WeakPolarHBondContact SG-CG 3.31Å; C218-C274 WeakPolarHBondContact CA-SG 3.39Å; C218-C274 HydrophobicContact CB-CB 3.65Å; C218-C274 WeakPolarHBondContact CB-SG 3.47Å; C218-C274 WeakPolarHBondContact SG-CA 3.12Å; C218-C274 WeakPolarHBondContact SG-CB 3.29Å; C218-C274 PolarHBondContact SG-N 3.45Å; C218-C274 CovalentContact SG-SG 2.04Å; C218-C274 PolarHBondContact SG-SG 3.27Å
219	E	85.4	Confident	77.9	Confident	98 Å²	98	39.8 Å²	39.8	46%	0.458	20%	0.2	S	C	.	.	S	Bend	trans	-105.6	140.9	177.7	-66	176.4	-150.8	0	0	110.1	E216 P217 S221 R271	E216-E219 HydrophobicContact CB-CB 4.24Å; E216-E219 HydrophobicContact CB-CG 4.35Å; E216-E219 PolarHBondContact O-N 3.14Å; P217-E219 PolarHBondContact O-N 2.99Å; E219-S221 PolarHBondContact O-N 3.28Å; E219-R271 IonicContact OE1-NH1 3.32Å; E219-R271 PolarHBondContact OE1-NH1 2.81Å; E219-R271 VanDerWaalsContact OE1-NH1 3.08Å
220	V	82.7	Confident	77.8	Confident	71 Å²	71	41.8 Å²	41.8	43%	0.43	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.2	177.4	178.4	0	0	0	0	108.1	T243 K245	V220-T243 HydrophobicContact CG1-CG2 4.01Å; V220-K245 HydrophobicContact CG2-CB 4.23Å; V220-K245 HydrophobicContact CG2-CD 4.24Å; V220-K245 HydrophobicContact CG2-CG 4.24Å
221	S	80	Confident	77.4	Confident	15 Å²	15	43.5 Å²	43.5	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	142.3	168.5	-67.4	0	0	0	0	110.6	G215 E219 T243 Y244	G215-S221 WeakPolarHBondContact CA-OG 3.42Å; E219-S221 PolarHBondContact O-N 3.28Å; S221-T243 WeakPolarHBondContact O-CA 3.44Å; S221-Y244 PolarHBondContact N-O 2.97Å; S221-Y244 PolarHBondContact O-N 2.5Å
222	K	81.7	Confident	76.6	Confident	141 Å²	141	51 Å²	51	61%	0.613	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	134	177.5	-64.3	-176.1	179.3	-177.9	0	109.1	I242 T243	K222-I242 WeakPolarHBondContact CA-O 3.17Å; K222-T243 HydrophobicContact CG-CG2 4.34Å
223	Y	81	Confident	76.1	Confident	8 Å²	8	53.7 Å²	53.7	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.1	178.2	-57.7	-86.6	0	0	0	108.7	V190 Q191 L211 A213 G215 I242 Y244	V190-Y223 CarbonylContact O-C 3.48Å; V190-Y223 WeakPolarHBondContact O-CA 2.93Å; Q191-Y223 HydrophobicContact CB-CD1 3.51Å; Q191-Y223 HydrophobicContact CB-CE1 3.44Å; Q191-Y223 VanDerWaalsContact CB-CE1 3.44Å; Q191-Y223 HydrophobicContact CG-CD1 3.68Å; Q191-Y223 HydrophobicContact CG-CE1 3.28Å; L211-Y223 HydrophobicContact CD2-CD1 3.4Å; L211-Y223 VanDerWaalsContact CD2-CD1 3.4Å; L211-Y223 HydrophobicContact CD2-CE1 3.08Å; L211-Y223 HydrophobicContact CD2-CG 4.45Å; L211-Y223 HydrophobicContact CG-CE1 4.35Å; A213-Y223 PolarHBondContact O-OH 3.44Å; G215-Y223 PolarHBondContact N-OH 3.31Å; Y223-I242 PolarHBondContact N-O 2.9Å; Y223-I242 PolarHBondContact O-N 3.05Å; Y223-Y244 HydrophobicContact CE2-CD1 4.13Å; Y223-Y244 HydrophobicContact CE2-CG 4.33Å
224	R	82.7	Confident	75.9	Confident	61 Å²	61	59.6 Å²	59.6	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.7	173	-63	-179.3	-73.2	123.8	3.7	108	L189 V190 D192 D198 E226 T239 Y240	L189-R224 WeakPolarHBondContact CA-O 2.89Å; V190-R224 HydrophobicContact CB-CB 4.33Å; V190-R224 PolarHBondContact N-O 3.08Å; V190-R224 PolarHBondContact O-N 3.37Å; D192-R224 IonicContact OD1-CZ 3.24Å; D192-R224 VanDerWaalsContact OD1-CZ 3.28Å; D192-R224 IonicContact OD1-NE 2.67Å; D192-R224 PolarHBondContact OD1-NE 3.45Å; D192-R224 IonicContact OD1-NH2 2.84Å; D192-R224 PolarHBondContact OD1-NH2 2.55Å; D192-R224 IonicContact OD2-NE 3.79Å; D192-R224 PolarHBondContact OD2-NE 2.91Å; D198-R224 IonicContact OD2-NH2 3.73Å; D198-R224 PolarHBondContact OD2-NH2 3.24Å; R224-E226 HydrophobicContact CB-CG 4.49Å; R224-E226 IonicContact CZ-OE1 2.74Å; R224-E226 IonicContact NH1-OE1 2.72Å; R224-E226 PolarHBondContact NH1-OE1 3.48Å; R224-T239 HydrophobicContact CB-CG2 4.11Å; R224-Y240 WeakPolarHBondContact CA-O 3.27Å
225	A	82.3	Confident	75.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112	168	0	0	0	0	0	108.9	F162 M179 F188 L189 T239 Y240 I242	F162-A225 HydrophobicContact CD2-CB 4.36Å; F162-A225 HydrophobicContact CE1-CB 3.98Å; F162-A225 HydrophobicContact CE2-CB 3.42Å; F162-A225 VanDerWaalsContact CE2-CB 3.42Å; F162-A225 HydrophobicContact CZ-CB 3.2Å; M179-A225 HydrophobicContact CE-CB 3.8Å; M179-A225 VanDerWaalsContact CE-O 3.32Å; M179-A225 WeakPolarHBondContact CE-O 3.11Å; F188-A225 CarbonylContact O-C 3.57Å; F188-A225 WeakPolarHBondContact O-CA 3.22Å; L189-A225 HydrophobicContact CD2-CB 3.74Å; L189-A225 HydrophobicContact CG-CB 4.43Å; A225-T239 CarbonylContact O-C 3.48Å; A225-T239 VanDerWaalsContact O-CA 3.25Å; A225-T239 WeakPolarHBondContact O-CA 3.22Å; A225-Y240 PolarHBondContact N-O 2.91Å; A225-Y240 PolarHBondContact O-N 3.13Å; A225-I242 HydrophobicContact CB-CD1 3.75Å
226	E	84.8	Confident	76.2	Confident	37 Å²	37	66.3 Å²	66.3	17%	0.173	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.7	-177.7	-58.6	-178.2	-178.6	0	0	109.6	V187 F188 V190 R224 H228 T239	V187-E226 CarbonylContact C-O 3.36Å; V187-E226 VanDerWaalsContact CA-O 3.27Å; V187-E226 WeakPolarHBondContact CA-O 2.98Å; F188-E226 HydrophobicContact CB-CB 4.37Å; F188-E226 PolarHBondContact N-O 3.09Å; F188-E226 PolarHBondContact O-N 3.23Å; V190-E226 HydrophobicContact CG2-CG 4.3Å; R224-E226 HydrophobicContact CB-CG 4.49Å; R224-E226 IonicContact CZ-OE1 2.74Å; R224-E226 IonicContact NH1-OE1 2.72Å; R224-E226 PolarHBondContact NH1-OE1 3.48Å; E226-H228 PolarHBondContact O-CD2 3.2Å; E226-H228 VanDerWaalsContact O-CD2 3.28Å; E226-H228 IonicContact OE2-NE2 3.68Å; E226-T239 HydrophobicContact CG-CG2 4.19Å
227	G	84.4	Confident	76.2	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.3	176	0	0	0	0	0	111.5	H236 F237 Q238	G227-H236 WeakPolarHBondContact O-CA 3.44Å; G227-F237 VanDerWaalsContact C-CD1 3.47Å; G227-F237 WeakPolarHBondContact O-CD1 3.36Å; G227-F237 WeakPolarHBondContact O-CE1 3.45Å; G227-F237 PolarHBondContact O-N 2.89Å; G227-Q238 PolarHBondContact N-O 3.39Å
228	H	83.3	Confident	76.2	Confident	18 Å²	18	66.1 Å²	66.1	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.2	-179.4	-67.3	-95	0	0	0	112.9	N185 Y186 F188 E226 F237	N185-H228 PolarHBondContact N-O 3.41Å; Y186-H228 HydrophobicContact CD1-CB 4.39Å; Y186-H228 HydrophobicContact CD2-CB 3.88Å; Y186-H228 HydrophobicContact CE1-CB 3.93Å; Y186-H228 HydrophobicContact CE2-CB 3.33Å; Y186-H228 AromaticContact CE2-CD2 3.53Å; Y186-H228 AromaticContact CE2-CG 3.42Å; Y186-H228 VanDerWaalsContact CE2-CG 3.42Å; Y186-H228 HydrophobicContact CG-CB 4.37Å; Y186-H228 AromaticContact CZ-CG 3.73Å; Y186-H228 PolarHBondContact N-O 2.93Å; Y186-H228 PolarHBondContact O-N 3.36Å; F188-H228 AromaticContact CD2-CD2 3.69Å; F188-H228 AromaticContact CD2-NE2 3.52Å; E226-H228 PolarHBondContact O-CD2 3.2Å; E226-H228 VanDerWaalsContact O-CD2 3.28Å; E226-H228 IonicContact OE2-NE2 3.68Å; H228-F237 VanDerWaalsContact N-CE1 3.31Å
229	N	81.6	Confident	76.1	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	159.6	170.3	65.5	-0.4	0	0	0	112.9	D183 N231 S235	D183-N229 HydrophobicContact CB-CB 3.88Å; D183-N229 WeakPolarHBondContact O-CA 3.24Å; D183-N229 VanDerWaalsContact O-CB 3.25Å; D183-N229 WeakPolarHBondContact O-CB 3.31Å; N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact O-N 3.33Å; N229-S235 PolarHBondContact ND2-OG 3.39Å; N229-S235 PolarHBondContact OD1-N 3.48Å; N229-S235 PolarHBondContact OD1-O 3.05Å; N229-S235 PolarHBondContact OD1-OG 3.43Å; N229-S235 VanDerWaalsContact OD1-OG 3.13Å
230	G	66.6	Low	75.7	Confident	48 Å²	48	64.3 Å²	64.3	50%	0.495	32%	0.324	S	S	.	.	S	Bend	trans	-82.5	9.5	178.5	0	0	0	0	0	115.7	N185	N185-G230 VanDerWaalsContact ND2-CA 3.25Å; N185-G230 WeakPolarHBondContact ND2-CA 3.07Å
231	N	62.5	Low	75.5	Confident	88 Å²	88	66.2 Å²	66.2	47%	0.471	33%	0.332	S	S	.	.	S	Bend	trans	-77.7	156.4	-176.7	-72.3	-32	0	0	0	112	N229 F233	N229-N231 VanDerWaalsContact C-N 3.27Å; N229-N231 PolarHBondContact O-N 3.33Å; N231-F233 CarbonylContact O-C 3.54Å; N231-F233 VanDerWaalsContact O-C 3.31Å; N231-F233 PolarHBondContact O-N 2.04Å
232	I	54	Low	75.4	Confident	162 Å²	162	65.6 Å²	65.6	83%	0.831	33%	0.328	S	S	*	.	S	Bend	trans	-52.7	-30.8	-177.8	-62.6	169.9	0	0	0	112.4
233	F	55	Low	75.2	Confident	177 Å²	177	59.9 Å²	59.9	78%	0.776	31%	0.305	S	S	*	.	S	Bend	trans	-97.1	102.8	167.4	-61.2	-78.6	0	0	0	107.9	N231 S235	N231-F233 CarbonylContact O-C 3.54Å; N231-F233 VanDerWaalsContact O-C 3.31Å; N231-F233 PolarHBondContact O-N 2.04Å; F233-S235 PolarHBondContact O-N 2.92Å
234	F	59.5	Low	75.1	Confident	151 Å²	151	60.1 Å²	60.1	66%	0.662	31%	0.306	S	S	*	.			trans	-54.6	98.2	173.2	-59.2	-77.1	0	0	0	109	Y186	Y186-F234 VanDerWaalsContact OH-CD1 3.27Å; Y186-F234 WeakPolarHBondContact OH-CD1 3.1Å
235	S	67.3	Low	74.8	Confident	53 Å²	53	59 Å²	59	37%	0.371	30%	0.302	S	S	.	.			trans	-105.5	113.6	175.3	73.4	0	0	0	0	108.3	N229 F233 F237	N229-S235 PolarHBondContact ND2-OG 3.39Å; N229-S235 PolarHBondContact OD1-N 3.48Å; N229-S235 PolarHBondContact OD1-O 3.05Å; N229-S235 PolarHBondContact OD1-OG 3.43Å; N229-S235 VanDerWaalsContact OD1-OG 3.13Å; F233-S235 PolarHBondContact O-N 2.92Å; S235-F237 PolarHBondContact O-N 3.23Å
236	H	77.8	Confident	74.7	Confident	115 Å²	115	59.4 Å²	59.4	53%	0.532	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	132.7	162.3	115.3	-105.3	0	0	0	107.6	G227	G227-H236 WeakPolarHBondContact O-CA 3.44Å
237	F	80.4	Confident	74.4	Confident	46 Å²	46	57.8 Å²	57.8	20%	0.202	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-22.2	-180	67.9	-102.7	0	0	0	112.9	M179 H181 F184 G227 H228 S235	M179-F237 HydrophobicContact CB-CE2 3.87Å; M179-F237 HydrophobicContact CB-CZ 3.93Å; M179-F237 HydrophobicContact SD-CE2 4.14Å; M179-F237 HydrophobicContact SD-CZ 4.28Å; H181-F237 HydrophobicContact CB-CD1 4.31Å; H181-F237 HydrophobicContact CB-CD2 3.78Å; H181-F237 HydrophobicContact CB-CE1 3.97Å; H181-F237 HydrophobicContact CB-CE2 3.45Å; H181-F237 VanDerWaalsContact CB-CE2 3.45Å; H181-F237 HydrophobicContact CB-CG 4.23Å; H181-F237 HydrophobicContact CB-CZ 3.55Å; H181-F237 AromaticContact CD2-CD2 3.61Å; H181-F237 AromaticContact CD2-CG 3.67Å; H181-F237 AromaticContact CG-CD1 3.95Å; H181-F237 AromaticContact CG-CD2 3.73Å; H181-F237 AromaticContact CG-CE2 3.93Å; H181-F237 AromaticContact CG-CG 3.78Å; F184-F237 HydrophobicContact CD2-CE1 4.07Å; F184-F237 AromaticContact CD2-CZ 3.8Å; F184-F237 HydrophobicContact CD2-CZ 3.8Å; G227-F237 VanDerWaalsContact C-CD1 3.47Å; G227-F237 WeakPolarHBondContact O-CD1 3.36Å; G227-F237 WeakPolarHBondContact O-CE1 3.45Å; G227-F237 PolarHBondContact O-N 2.89Å; H228-F237 VanDerWaalsContact N-CE1 3.31Å; S235-F237 PolarHBondContact O-N 3.23Å
238	Q	81.7	Confident	74.3	Confident	59 Å²	59	57.9 Å²	57.9	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	144.7	-179.3	-175.7	158.5	48.4	0	0	110.6	M179 G227 Y240	M179-Q238 HydrophobicContact SD-CB 3.93Å; M179-Q238 HydrophobicContact SD-CG 4.03Å; G227-Q238 PolarHBondContact N-O 3.39Å; Q238-Y240 VanDerWaalsContact CD-CZ 3.42Å; Q238-Y240 HydrophobicContact CG-CD2 4.37Å; Q238-Y240 HydrophobicContact CG-CE2 3.83Å; Q238-Y240 PolarHBondContact NE2-OH 2.96Å; Q238-Y240 PolarHBondContact OE1-OH 2.81Å
239	T	82.9	Confident	74	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.8	172	-56.9	0	0	0	0	109.2	R224 A225 E226	R224-T239 HydrophobicContact CB-CG2 4.11Å; A225-T239 CarbonylContact O-C 3.48Å; A225-T239 VanDerWaalsContact O-CA 3.25Å; A225-T239 WeakPolarHBondContact O-CA 3.22Å; E226-T239 HydrophobicContact CG-CG2 4.19Å
240	Y	77.4	Confident	73.8	Confident	36 Å²	36	57.6 Å²	57.6	14%	0.141	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	167.5	-65.1	-73.6	0	0	0	110	I153 T161 F162 M179 R224 A225 Q238	I153-Y240 HydrophobicContact CD1-CE1 4.13Å; I153-Y240 HydrophobicContact CG1-CE1 4Å; T161-Y240 HydrophobicContact CG2-CE2 4.43Å; F162-Y240 HydrophobicContact CE2-CD2 4.32Å; M179-Y240 HydrophobicContact CE-CD2 3.43Å; M179-Y240 VanDerWaalsContact CE-CD2 3.43Å; M179-Y240 HydrophobicContact CE-CE2 3.81Å; M179-Y240 HydrophobicContact CG-CD2 4.49Å; M179-Y240 HydrophobicContact CG-CE2 3.93Å; M179-Y240 HydrophobicContact SD-CD2 4.04Å; M179-Y240 HydrophobicContact SD-CE2 3.79Å; R224-Y240 WeakPolarHBondContact CA-O 3.27Å; A225-Y240 PolarHBondContact N-O 2.91Å; A225-Y240 PolarHBondContact O-N 3.13Å; Q238-Y240 VanDerWaalsContact CD-CZ 3.42Å; Q238-Y240 HydrophobicContact CG-CD2 4.37Å; Q238-Y240 HydrophobicContact CG-CE2 3.83Å; Q238-Y240 PolarHBondContact NE2-OH 2.96Å; Q238-Y240 PolarHBondContact OE1-OH 2.81Å
241	D	78.9	Confident	74.2	Confident	112 Å²	112	58.2 Å²	58.2	60%	0.599	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	131.7	170.2	-67.2	-37.3	0	0	0	110	T150	T150-D241 VanDerWaalsContact O-O 3.13Å; T150-D241 PolarHBondContact OG1-O 3.47Å
242	I	77.7	Confident	74.7	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.2	-173.3	-64.2	172.1	0	0	0	107.4	L148 N151 F162 L189 K222 Y223 A225	L148-I242 HydrophobicContact CB-CG2 3.71Å; L148-I242 HydrophobicContact CD1-CG2 3.23Å; L148-I242 HydrophobicContact CD2-CG2 4.38Å; L148-I242 HydrophobicContact CG-CG2 3.91Å; N151-I242 HydrophobicContact CB-CG1 4.36Å; F162-I242 HydrophobicContact CB-CD1 4.21Å; F162-I242 HydrophobicContact CD1-CD1 4.1Å; F162-I242 HydrophobicContact CD2-CD1 3.54Å; F162-I242 HydrophobicContact CD2-CG1 4.34Å; F162-I242 HydrophobicContact CE1-CD1 4.45Å; F162-I242 HydrophobicContact CE2-CD1 3.94Å; F162-I242 HydrophobicContact CG-CD1 3.66Å; F162-I242 HydrophobicContact CZ-CD1 4.4Å; L189-I242 HydrophobicContact CD2-CD1 3.85Å; K222-I242 WeakPolarHBondContact CA-O 3.17Å; Y223-I242 PolarHBondContact N-O 2.9Å; Y223-I242 PolarHBondContact O-N 3.05Å; A225-I242 HydrophobicContact CB-CD1 3.75Å
243	T	78.2	Confident	75.5	Confident	21 Å²	21	51.5 Å²	51.5	13%	0.129	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.3	166.6	59.6	0	0	0	0	111.1	L148 E149 T150 V220 S221 K222	L148-T243 CarbonylContact C-O 3.59Å; E149-T243 WeakPolarHBondContact CB-OG1 3.07Å; E149-T243 PolarHBondContact N-O 3.03Å; E149-T243 PolarHBondContact OE2-OG1 3.14Å; T150-T243 HydrophobicContact CG2-CG2 4.37Å; T150-T243 WeakPolarHBondContact CG2-OG1 3.25Å; T150-T243 PolarHBondContact OG1-N 2.7Å; T150-T243 VanDerWaalsContact OG1-N 3.1Å; T150-T243 PolarHBondContact OG1-OG1 2.89Å; V220-T243 HydrophobicContact CG1-CG2 4.01Å; S221-T243 WeakPolarHBondContact O-CA 3.44Å; K222-T243 HydrophobicContact CG-CG2 4.34Å
244	Y	77.6	Confident	76.1	Confident	13 Å²	13	48.5 Å²	48.5	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.1	178.1	170.2	-108	0	0	0	108.6	L148 V164 E167 M172 I214 S221 Y223 R246	L148-Y244 HydrophobicContact CD2-CD2 3.43Å; L148-Y244 VanDerWaalsContact CD2-CD2 3.43Å; L148-Y244 HydrophobicContact CD2-CE2 4.46Å; L148-Y244 HydrophobicContact CD2-CG 3.94Å; V164-Y244 HydrophobicContact CG2-CD2 4.2Å; V164-Y244 HydrophobicContact CG2-CE2 4.18Å; E167-Y244 WeakPolarHBondContact OE1-CE2 3.13Å; E167-Y244 PolarHBondContact OE1-OH 2.91Å; E167-Y244 PolarHBondContact OE2-OH 2.8Å; M172-Y244 HydrophobicContact CE-CD1 3.57Å; M172-Y244 HydrophobicContact CE-CD2 3.71Å; M172-Y244 HydrophobicContact CE-CE1 3.22Å; M172-Y244 HydrophobicContact CE-CE2 3.35Å; M172-Y244 HydrophobicContact CE-CG 3.8Å; I214-Y244 HydrophobicContact CG2-CE1 3.77Å; S221-Y244 PolarHBondContact N-O 2.97Å; S221-Y244 PolarHBondContact O-N 2.5Å; Y223-Y244 HydrophobicContact CE2-CD1 4.13Å; Y223-Y244 HydrophobicContact CE2-CG 4.33Å; Y244-R246 HydrophobicContact CE1-CB 3.66Å; Y244-R246 HydrophobicContact CE1-CG 4.45Å; Y244-R246 VanDerWaalsContact OH-CB 3.27Å; Y244-R246 WeakPolarHBondContact OH-CB 2.99Å; Y244-R246 WeakPolarHBondContact OH-CD 3.32Å; Y244-R246 VanDerWaalsContact OH-CG 3.28Å; Y244-R246 WeakPolarHBondContact OH-CG 3.06Å
245	K	77.7	Confident	76.5	Confident	38 Å²	38	43.1 Å²	43.1	17%	0.165	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.2	174	-168.7	-174.9	-173.4	-174.3	0	108.6	C218 V220 H324	C218-K245 WeakPolarHBondContact O-CE 3.45Å; V220-K245 HydrophobicContact CG2-CB 4.23Å; V220-K245 HydrophobicContact CG2-CD 4.24Å; V220-K245 HydrophobicContact CG2-CG 4.24Å; K245-H324 PolarHBondContact NZ-NE2 3.01Å
246	R	79	Confident	76.2	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.026	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-78	138	178.5	-172.6	158.9	68.4	97.6	-5	111.6	G215 P217 C218 Y244 R249 E270	G215-R246 PolarHBondContact O-NE 3.22Å; G215-R246 PolarHBondContact O-NH2 3.45Å; P217-R246 VanDerWaalsContact CD-NH2 3.27Å; C218-R246 PolarHBondContact N-O 2.83Å; Y244-R246 HydrophobicContact CE1-CB 3.66Å; Y244-R246 HydrophobicContact CE1-CG 4.45Å; Y244-R246 VanDerWaalsContact OH-CB 3.27Å; Y244-R246 WeakPolarHBondContact OH-CB 2.99Å; Y244-R246 WeakPolarHBondContact OH-CD 3.32Å; Y244-R246 VanDerWaalsContact OH-CG 3.28Å; Y244-R246 WeakPolarHBondContact OH-CG 3.06Å; R246-R249 VanDerWaalsContact NH1-CZ 3.3Å; R246-E270 IonicContact CZ-OE1 3.7Å; R246-E270 VanDerWaalsContact CZ-OE1 3.24Å; R246-E270 IonicContact CZ-OE2 3.68Å; R246-E270 IonicContact NH1-OE1 3.43Å; R246-E270 PolarHBondContact NH1-OE1 2.78Å; R246-E270 IonicContact NH1-OE2 3.55Å; R246-E270 PolarHBondContact NH1-OE2 3.33Å; R246-E270 IonicContact NH2-OE1 2.7Å; R246-E270 PolarHBondContact NH2-OE1 2.95Å; R246-E270 IonicContact NH2-OE2 3.08Å
247	V	78.9	Confident	75.5	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-86.2	133.7	168.2	-173.8	0	0	0	0	108.7	R249 N322 H324 R327	V247-R249 PolarHBondContact O-N 3.02Å; V247-N322 HydrophobicContact CG1-CB 3.71Å; V247-H324 HydrophobicContact CG1-CB 4.03Å; V247-H324 HydrophobicContact CG2-CB 3.87Å; V247-R327 HydrophobicContact CG2-CB 3.56Å
248	P	83.3	Confident	74.5	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.019	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-49.5	137.7	178.1	-25	27.7	0	0	0	112.2	P217 C218 R271 S272 C274 N322 S329	P217-P248 HydrophobicContact CB-CB 4.17Å; P217-P248 HydrophobicContact CB-CG 3.98Å; C218-P248 WeakPolarHBondContact SG-CG 3.31Å; P248-R271 HydrophobicContact CB-CB 4.42Å; P248-S272 WeakPolarHBondContact CG-O 3.25Å; P248-C274 WeakPolarHBondContact CD-SG 3.49Å; P248-N322 PolarHBondContact O-ND2 2.97Å; P248-S329 VanDerWaalsContact O-CB 3.28Å; P248-S329 WeakPolarHBondContact O-CB 3.49Å
249	R	77.1	Confident	73.3	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.008	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-79.9	155.4	-177.8	-66.8	175.1	-179.8	142.8	-0.1	112.6	E167 Q168 T169 R246 V247 R269 E270	E167-R249 IonicContact OE2-NH2 3.21Å; Q168-R249 PolarHBondContact O-NH1 2.94Å; Q168-R249 PolarHBondContact O-NH2 2.87Å; T169-R249 VanDerWaalsContact CA-NH1 3.27Å; R246-R249 VanDerWaalsContact NH1-CZ 3.3Å; V247-R249 PolarHBondContact O-N 3.02Å; R249-R269 WeakPolarHBondContact O-CA 3.19Å; R249-E270 HydrophobicContact CB-CB 4.25Å; R249-E270 WeakPolarHBondContact CB-OE2 3.37Å; R249-E270 WeakPolarHBondContact CG-OE2 3.42Å; R249-E270 PolarHBondContact N-OE2 2.97Å; R249-E270 PolarHBondContact O-N 2.9Å
250	I	76.5	Confident	71.9	Confident	18 Å²	18	47.6 Å²	47.6	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.7	165.6	-65.2	-176.4	0	0	0	108	V253 W267 T280 L320 N322	I250-V253 HydrophobicContact CG2-CG2 3.53Å; I250-W267 HydrophobicContact CG2-CB 3.7Å; I250-W267 HydrophobicContact CG2-CG 3.96Å; I250-T280 HydrophobicContact CD1-CG2 3.75Å; I250-L320 HydrophobicContact CD1-CB 3.6Å; I250-L320 HydrophobicContact CD1-CD2 4.47Å; I250-L320 HydrophobicContact CG2-CB 4.27Å; I250-N322 WeakPolarHBondContact CG1-ND2 3.46Å
251	E	74	Confident	70.9	Confident	61 Å²	61	50.1 Å²	50.1	29%	0.285	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	161	-177.8	-62.5	-172.9	165.5	0	0	110.4	V253 K268	E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 PolarHBondContact O-N 2.77Å; E251-V253 VanDerWaalsContact O-N 3.13Å; E251-K268 HydrophobicContact CB-CB 4.25Å; E251-K268 PolarHBondContact N-O 2.82Å; E251-K268 WeakPolarHBondContact O-CA 3.46Å; E251-K268 PolarHBondContact O-N 2.8Å
252	N	74.1	Confident	70	Confident	75 Å²	75	50.1 Å²	50.1	40%	0.401	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.3	48.1	168.1	-64.8	-51.9	0	0	0	113.2	Q254 K268	N252-Q254 PolarHBondContact O-N 3.08Å; N252-K268 HydrophobicContact CB-CB 4.22Å; N252-K268 HydrophobicContact CB-CD 4.07Å; N252-K268 HydrophobicContact CB-CG 4.09Å
253	V	71	Confident	69.6	Low	34 Å²	34	51.9 Å²	51.9	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122	175.6	-177.8	0	0	0	0	108.3	I250 E251 L265 M266 W267 L320 L338	I250-V253 HydrophobicContact CG2-CG2 3.53Å; E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 PolarHBondContact O-N 2.77Å; E251-V253 VanDerWaalsContact O-N 3.13Å; V253-L265 HydrophobicContact CG1-CD1 3.56Å; V253-L265 HydrophobicContact CG1-CG 4.28Å; V253-M266 CarbonylContact C-O 3.5Å; V253-M266 WeakPolarHBondContact CA-O 3.46Å; V253-W267 HydrophobicContact CG2-CB 4.02Å; V253-L320 HydrophobicContact CG1-CD1 4.16Å; V253-L320 HydrophobicContact CG1-CD2 4.46Å; V253-L320 HydrophobicContact CG2-CD2 4.48Å; V253-L338 HydrophobicContact CB-CD1 3.67Å; V253-L338 HydrophobicContact CG1-CD1 3.56Å
254	Q	67.6	Low	69.6	Low	115 Å²	115	51.9 Å²	51.9	54%	0.537	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.3	-177.5	-68.4	179.9	0	0	0	109.7	N252 L265 M266	N252-Q254 PolarHBondContact O-N 3.08Å; Q254-L265 CarbonylContact O-C 3.48Å; Q254-L265 WeakPolarHBondContact O-CA 3.43Å; Q254-M266 PolarHBondContact N-O 3.43Å; Q254-M266 PolarHBondContact O-N 3.22Å
255	I	68.4	Low	69.6	Low	38 Å²	38	51.3 Å²	51.3	20%	0.195	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.3	169.9	-60.4	174.4	0	0	0	106.7	R263 L265 F318 F340	I255-R263 HydrophobicContact CG2-CB 4.4Å; I255-L265 HydrophobicContact CD1-CD1 4.37Å; I255-L265 HydrophobicContact CG1-CD1 3.61Å; I255-F318 HydrophobicContact CD1-CD2 3.83Å; I255-F318 HydrophobicContact CD1-CE2 3.8Å; I255-F340 HydrophobicContact CB-CE2 4.1Å; I255-F340 HydrophobicContact CB-CZ 4.47Å; I255-F340 HydrophobicContact CD1-CD2 3.99Å; I255-F340 HydrophobicContact CD1-CE2 3.84Å; I255-F340 HydrophobicContact CG1-CE2 4.05Å
256	G	60.3	Low	69.9	Low	21 Å²	21	52.8 Å²	52.8	22%	0.216	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145.6	176.1	0	0	0	0	0	111.7	R263 H264	G256-R263 WeakPolarHBondContact O-CA 3.5Å; G256-H264 PolarHBondContact N-O 2.7Å; G256-H264 PolarHBondContact O-N 2.54Å; G256-H264 PolarHBondContact O-ND1 3.49Å
257	L	63.3	Low	70.1	Confident	119 Å²	119	52.8 Å²	52.8	62%	0.623	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.7	162.8	-82.9	135.5	0	0	0	107.8	R263	L257-R263 HydrophobicContact CD2-CG 4.18Å; L257-R263 HydrophobicContact CG-CG 4.32Å
258	L	58.8	Low	70.4	Confident	96 Å²	96	58.8 Å²	58.8	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-47.8	171.4	-98.4	151.7	0	0	0	110	Y262 H264 Y304	L258-Y262 PolarHBondContact N-O 3.4Å; L258-H264 HydrophobicContact CD1-CB 3.8Å; L258-H264 VanDerWaalsContact CD1-ND1 3.35Å; L258-H264 WeakPolarHBondContact CD1-ND1 3.36Å; L258-Y304 HydrophobicContact CD1-CD1 4.29Å; L258-Y304 HydrophobicContact CD1-CE1 3.57Å
259	S	56.1	Low	70.2	Confident	69 Å²	69	61.3 Å²	61.3	48%	0.483	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	144.4	178.1	50.5	0	0	0	0	108.2	P261 Y262	S259-P261 CarbonylContact O-C 3.55Å; S259-Y262 CarbonylContact O-C 3.06Å; S259-Y262 WeakPolarHBondContact O-CA 3.21Å; S259-Y262 PolarHBondContact O-N 3.12Å; S259-Y262 VanDerWaalsContact O-O 3.08Å
260	S	53.8	Low	70.5	Confident	116 Å²	116	64.1 Å²	64.1	81%	0.811	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	122.6	175.5	-178.7	0	0	0	0	109.6
261	P	56.3	Low	70.9	Confident	89 Å²	89	68.4 Å²	68.4	58%	0.578	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-105.7	6.5	13.4	39.8	-34	0	0	0	115.4	S259 R263	S259-P261 CarbonylContact O-C 3.55Å; P261-R263 PolarHBondContact O-N 2.84Å
262	Y	60.7	Low	71.6	Confident	113 Å²	113	69.5 Å²	69.5	44%	0.443	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	108.5	-177.2	-59.9	-72.2	0	0	0	112.2	L258 S259 K306	L258-Y262 PolarHBondContact N-O 3.4Å; S259-Y262 CarbonylContact O-C 3.06Å; S259-Y262 WeakPolarHBondContact O-CA 3.21Å; S259-Y262 PolarHBondContact O-N 3.12Å; S259-Y262 VanDerWaalsContact O-O 3.08Å; Y262-K306 HydrophobicContact CE1-CG 4.37Å
263	R	68.8	Low	72.2	Confident	38 Å²	38	67.2 Å²	67.2	14%	0.143	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	149.6	161.8	-60.1	-167.9	-174.6	-152.6	4.3	109.1	I255 G256 L257 P261 V305 F308	I255-R263 HydrophobicContact CG2-CB 4.4Å; G256-R263 WeakPolarHBondContact O-CA 3.5Å; L257-R263 HydrophobicContact CD2-CG 4.18Å; L257-R263 HydrophobicContact CG-CG 4.32Å; P261-R263 PolarHBondContact O-N 2.84Å; R263-V305 HydrophobicContact CB-CB 4.45Å; R263-V305 PolarHBondContact O-N 2.82Å; R263-F308 VanDerWaalsContact NE-CD1 3.3Å
264	H	77.7	Confident	73	Confident	22 Å²	22	67.1 Å²	67.1	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.2	169.5	65.5	-55	0	0	0	108.5	G256 L258 M266 H303 Y304	G256-H264 PolarHBondContact N-O 2.7Å; G256-H264 PolarHBondContact O-N 2.54Å; G256-H264 PolarHBondContact O-ND1 3.49Å; L258-H264 HydrophobicContact CD1-CB 3.8Å; L258-H264 VanDerWaalsContact CD1-ND1 3.35Å; L258-H264 WeakPolarHBondContact CD1-ND1 3.36Å; H264-M266 WeakPolarHBondContact CD2-CG 3.27Å; H264-M266 PolarHBondContact NE2-SD 3.1Å; H264-H303 WeakPolarHBondContact CA-O 3.49Å; H264-Y304 HydrophobicContact CB-CD1 4.35Å
265	L	79	Confident	74.1	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.8	170.9	-174.2	72.5	0	0	0	106.6	V253 Q254 I255 W267 I282 E302 H303 V305 F318 L320	V253-L265 HydrophobicContact CG1-CD1 3.56Å; V253-L265 HydrophobicContact CG1-CG 4.28Å; Q254-L265 CarbonylContact O-C 3.48Å; Q254-L265 WeakPolarHBondContact O-CA 3.43Å; I255-L265 HydrophobicContact CD1-CD1 4.37Å; I255-L265 HydrophobicContact CG1-CD1 3.61Å; L265-W267 HydrophobicContact CD2-CE3 4.45Å; L265-W267 HydrophobicContact CD2-CZ3 4.4Å; L265-W267 HydrophobicContact CG-CE3 4.27Å; L265-W267 HydrophobicContact CG-CZ3 4.45Å; L265-I282 HydrophobicContact CD2-CD1 3.94Å; L265-I282 HydrophobicContact CD2-CG2 4.29Å; L265-E302 CarbonylContact O-C 3.58Å; L265-E302 WeakPolarHBondContact O-CA 3.43Å; L265-H303 HydrophobicContact CB-CB 4.48Å; L265-H303 PolarHBondContact N-O 2.77Å; L265-H303 PolarHBondContact O-N 3.42Å; L265-V305 HydrophobicContact CB-CG2 4.23Å; L265-F318 HydrophobicContact CD1-CG 4.45Å; L265-F318 HydrophobicContact CD2-CD1 3.97Å; L265-F318 HydrophobicContact CD2-CG 4.46Å; L265-L320 HydrophobicContact CD2-CD1 3.74Å; L265-L320 HydrophobicContact CD2-CD2 3.72Å; L265-L320 HydrophobicContact CD2-CG 4.14Å; L265-L320 HydrophobicContact CG-CD2 4.37Å
266	M	82.9	Confident	75	Confident	69 Å²	69	70.2 Å²	70.2	34%	0.34	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.4	172.7	-62.1	-173.8	80	0	0	109.3	V253 Q254 H264 V301 E302	V253-M266 CarbonylContact C-O 3.5Å; V253-M266 WeakPolarHBondContact CA-O 3.46Å; Q254-M266 PolarHBondContact N-O 3.43Å; Q254-M266 PolarHBondContact O-N 3.22Å; H264-M266 WeakPolarHBondContact CD2-CG 3.27Å; H264-M266 PolarHBondContact NE2-SD 3.1Å; M266-V301 WeakPolarHBondContact CA-O 3.13Å; M266-E302 HydrophobicContact CG-CB 4.19Å
267	W	83.8	Confident	76.3	Confident	8 Å²	8	74.5 Å²	74.5	3%	0.03	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159	171.5	60.1	95.7	0	0	0	110.8	I250 V253 L265 T280 I282 I296 K300 V301 H303 L320	I250-W267 HydrophobicContact CG2-CB 3.7Å; I250-W267 HydrophobicContact CG2-CG 3.96Å; V253-W267 HydrophobicContact CG2-CB 4.02Å; L265-W267 HydrophobicContact CD2-CE3 4.45Å; L265-W267 HydrophobicContact CD2-CZ3 4.4Å; L265-W267 HydrophobicContact CG-CE3 4.27Å; L265-W267 HydrophobicContact CG-CZ3 4.45Å; W267-T280 HydrophobicContact CZ2-CG2 3.79Å; W267-I282 HydrophobicContact CH2-CD1 3.94Å; W267-I282 HydrophobicContact CZ3-CD1 3.89Å; W267-I296 HydrophobicContact CH2-CD1 4Å; W267-K300 WeakPolarHBondContact CZ2-O 3.32Å; W267-V301 PolarHBondContact N-O 3.03Å; W267-V301 WeakPolarHBondContact O-CB 3.27Å; W267-H303 HydrophobicContact CH2-CB 4.08Å; W267-H303 HydrophobicContact CZ3-CB 3.87Å; W267-L320 HydrophobicContact CB-CD2 4.4Å; W267-L320 HydrophobicContact CD2-CD2 3.77Å; W267-L320 HydrophobicContact CE3-CD2 3.59Å; W267-L320 HydrophobicContact CG-CD2 4.14Å; W267-L320 HydrophobicContact CZ3-CD2 4.17Å
268	K	84.4	Confident	77.5	Confident	128 Å²	128	69.2 Å²	69.2	56%	0.557	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	164.7	165.7	-64.7	-173.2	-176	175.2	0	109.3	E251 N252	E251-K268 HydrophobicContact CB-CB 4.25Å; E251-K268 PolarHBondContact N-O 2.82Å; E251-K268 WeakPolarHBondContact O-CA 3.46Å; E251-K268 PolarHBondContact O-N 2.8Å; N252-K268 HydrophobicContact CB-CB 4.22Å; N252-K268 HydrophobicContact CB-CD 4.07Å; N252-K268 HydrophobicContact CB-CG 4.09Å
269	R	80.6	Confident	78.8	Confident	57 Å²	57	65.4 Å²	65.4	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.3	168.2	-67.3	175.3	-78	165.3	-12.2	108.1	R249 R271 S298	R249-R269 WeakPolarHBondContact O-CA 3.19Å; R269-R271 WeakPolarHBondContact CB-O 3.49Å; R269-R271 PolarHBondContact O-N 2.86Å; R269-S298 PolarHBondContact NH1-O 2.87Å; R269-S298 PolarHBondContact NH2-O 2.78Å
270	E	81.9	Confident	80.1	Confident	60 Å²	60	62.1 Å²	62.1	28%	0.28	33%	0.334	S	S	.	.	S	Bend	trans	-55.3	-38.7	171.2	179	-174.7	-162.4	0	0	111.3	P217 R246 R249	P217-E270 HydrophobicContact CG-CG 4.48Å; R246-E270 IonicContact CZ-OE1 3.7Å; R246-E270 VanDerWaalsContact CZ-OE1 3.24Å; R246-E270 IonicContact CZ-OE2 3.68Å; R246-E270 IonicContact NH1-OE1 3.43Å; R246-E270 PolarHBondContact NH1-OE1 2.78Å; R246-E270 IonicContact NH1-OE2 3.55Å; R246-E270 PolarHBondContact NH1-OE2 3.33Å; R246-E270 IonicContact NH2-OE1 2.7Å; R246-E270 PolarHBondContact NH2-OE1 2.95Å; R246-E270 IonicContact NH2-OE2 3.08Å; R249-E270 HydrophobicContact CB-CB 4.25Å; R249-E270 WeakPolarHBondContact CB-OE2 3.37Å; R249-E270 WeakPolarHBondContact CG-OE2 3.42Å; R249-E270 PolarHBondContact N-OE2 2.97Å; R249-E270 PolarHBondContact O-N 2.9Å
271	R	86.4	Confident	81.2	Confident	109 Å²	109	56.6 Å²	56.6	41%	0.411	30%	0.296	S	S	.	.	S	Bend	trans	-147.7	168.9	176	-154.5	174.6	-159.6	-179.9	10.3	111.3	P217 E219 P248 R269	P217-R271 HydrophobicContact CG-CB 4.04Å; P217-R271 PolarHBondContact O-NH1 2.8Å; E219-R271 IonicContact OE1-NH1 3.32Å; E219-R271 PolarHBondContact OE1-NH1 2.81Å; E219-R271 VanDerWaalsContact OE1-NH1 3.08Å; P248-R271 HydrophobicContact CB-CB 4.42Å; R269-R271 WeakPolarHBondContact CB-O 3.49Å; R269-R271 PolarHBondContact O-N 2.86Å
272	S	87.1	Confident	82.2	Confident	83 Å²	83	52.4 Å²	52.4	58%	0.58	27%	0.268	S	S	*	.			trans	-55	158	166	54.1	0	0	0	0	111.6	P248	P248-S272 WeakPolarHBondContact CG-O 3.25Å
273	A	88	Confident	82.6	Confident	28 Å²	28	47.3 Å²	47.3	23%	0.231	25%	0.248	C	C	.	.			trans	-53.5	150.7	171.9	0	0	0	0	0	111.7	D278	A273-D278 HydrophobicContact CB-CB 4.04Å
274	C	87.8	Confident	82.8	Confident	32 Å²	32	46.9 Å²	46.9	22%	0.216	25%	0.247	C	C	.	.	S	Bend	trans	-73.2	-39.2	176.9	-55.4	0	0	0	0	110.8	C218 P248 D278	C218-C274 WeakPolarHBondContact CA-SG 3.39Å; C218-C274 HydrophobicContact CB-CB 3.65Å; C218-C274 WeakPolarHBondContact CB-SG 3.47Å; C218-C274 WeakPolarHBondContact SG-CA 3.12Å; C218-C274 WeakPolarHBondContact SG-CB 3.29Å; C218-C274 PolarHBondContact SG-N 3.45Å; C218-C274 CovalentContact SG-SG 2.04Å; C218-C274 PolarHBondContact SG-SG 3.27Å; P248-C274 WeakPolarHBondContact CD-SG 3.49Å; C274-D278 WeakPolarHBondContact CA-OD2 3.22Å; C274-D278 WeakPolarHBondContact CB-OD2 3.09Å; C274-D278 PolarHBondContact N-OD2 2.8Å
275	E	89.6	Confident	82.3	Confident	92 Å²	92	46.4 Å²	46.4	43%	0.43	25%	0.248	S	C	.	.	S	Bend	trans	-136.8	153.8	176.2	-71	-179.6	-163	0	0	111.2	T277 D278 H324	E275-T277 WeakPolarHBondContact CB-OG1 3.25Å; E275-T277 PolarHBondContact O-N 3.04Å; E275-T277 VanDerWaalsContact O-N 3.14Å; E275-T277 PolarHBondContact OE2-OG1 2.88Å; E275-D278 PolarHBondContact N-OD2 3.36Å; E275-D278 VanDerWaalsContact O-CB 3.23Å; E275-D278 WeakPolarHBondContact O-CB 3.4Å; E275-D278 PolarHBondContact O-N 3.5Å; E275-H324 IonicContact OE1-CE1 3.74Å
276	P	87.1	Confident	81.8	Confident	126 Å²	126	48.5 Å²	48.5	82%	0.818	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.3	175.6	-22.6	33.6	0	0	0	114.1	D278	P276-D278 VanDerWaalsContact C-N 3.28Å
277	T	88.3	Confident	80.8	Confident	110 Å²	110	48.1 Å²	48.1	68%	0.675	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.2	177.5	49.3	0	0	0	0	113	E275	E275-T277 WeakPolarHBondContact CB-OG1 3.25Å; E275-T277 PolarHBondContact O-N 3.04Å; E275-T277 VanDerWaalsContact O-N 3.14Å; E275-T277 PolarHBondContact OE2-OG1 2.88Å
278	D	88	Confident	79.6	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.043	29%	0.294	C	S	.	.			trans	-63.6	157.7	177.2	-67	-11.1	0	0	0	110.8	A273 C274 E275 P276 S298 K323 H324	A273-D278 HydrophobicContact CB-CB 4.04Å; C274-D278 WeakPolarHBondContact CA-OD2 3.22Å; C274-D278 WeakPolarHBondContact CB-OD2 3.09Å; C274-D278 PolarHBondContact N-OD2 2.8Å; E275-D278 PolarHBondContact N-OD2 3.36Å; E275-D278 VanDerWaalsContact O-CB 3.23Å; E275-D278 WeakPolarHBondContact O-CB 3.4Å; E275-D278 PolarHBondContact O-N 3.5Å; P276-D278 VanDerWaalsContact C-N 3.28Å; D278-S298 VanDerWaalsContact C-CB 3.44Å; D278-S298 WeakPolarHBondContact O-CB 3.27Å; D278-S298 PolarHBondContact O-N 2.67Å; D278-S298 PolarHBondContact O-OG 2.8Å; D278-K323 WeakPolarHBondContact CA-O 3.21Å; D278-K323 WeakPolarHBondContact CB-O 3.11Å; D278-H324 WeakPolarHBondContact OD1-CA 3.04Å; D278-H324 WeakPolarHBondContact OD1-CB 3.32Å; D278-H324 IonicContact OD1-CE1 3.53Å; D278-H324 IonicContact OD1-CG 3.82Å; D278-H324 IonicContact OD1-ND1 2.76Å; D278-H324 PolarHBondContact OD1-ND1 2.89Å; D278-H324 IonicContact OD2-CG 2.69Å; D278-H324 IonicContact OD2-ND1 3.28Å; D278-H324 PolarHBondContact OD2-ND1 2.89Å
279	S	86.1	Confident	78.4	Confident	16 Å²	16	53 Å²	53	11%	0.112	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.5	-179.7	47.5	0	0	0	0	111.8	I296 N322 K323	S279-I296 CarbonylContact C-O 3.54Å; S279-I296 VanDerWaalsContact CA-O 3.23Å; S279-I296 WeakPolarHBondContact CA-O 3.39Å; S279-I296 VanDerWaalsContact CB-O 3.23Å; S279-I296 WeakPolarHBondContact CB-O 3.21Å; S279-N322 CarbonylContact O-C 3.53Å; S279-N322 WeakPolarHBondContact O-CA 3.45Å; S279-K323 PolarHBondContact N-O 3.46Å; S279-K323 PolarHBondContact O-N 3.46Å
280	T	83.9	Confident	77.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.8	164.7	-61.2	0	0	0	0	108.2	I250 W267 I282 I296 F321 N322	I250-T280 HydrophobicContact CD1-CG2 3.75Å; W267-T280 HydrophobicContact CZ2-CG2 3.79Å; T280-I282 HydrophobicContact CG2-CG1 4.22Å; T280-I296 PolarHBondContact N-O 3.29Å; T280-I296 PolarHBondContact O-N 3.19Å; T280-F321 CarbonylContact C-O 3.43Å; T280-F321 WeakPolarHBondContact CA-O 2.96Å; T280-N322 PolarHBondContact OG1-OD1 2.92Å
281	I	77.2	Confident	76.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.9	174	-51.3	-56.7	0	0	0	108.1	F283 M293 F294 T295 L320 F321 K323 F328	I281-F283 HydrophobicContact CG2-CE1 3.97Å; I281-F283 HydrophobicContact CG2-CE2 3.96Å; I281-F283 HydrophobicContact CG2-CZ 3.62Å; I281-M293 HydrophobicContact CG2-CG 3.82Å; I281-M293 HydrophobicContact CG2-SD 4.14Å; I281-F294 CarbonylContact C-O 3.56Å; I281-F294 WeakPolarHBondContact CA-O 3.43Å; I281-T295 HydrophobicContact CD1-CG2 3.88Å; I281-L320 WeakPolarHBondContact O-CA 3.43Å; I281-F321 PolarHBondContact N-O 3.41Å; I281-F321 PolarHBondContact O-N 3.05Å; I281-K323 HydrophobicContact CD1-CD 4.27Å; I281-K323 HydrophobicContact CG1-CB 4.04Å; I281-K323 HydrophobicContact CG1-CD 4.39Å; I281-F328 HydrophobicContact CG1-CE1 4.25Å
282	I	76.2	Confident	75.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.9	174.8	-50.6	-167.4	0	0	0	108.4	L265 W267 T280 M293 F294 I296 H303 F318 I319 L320	L265-I282 HydrophobicContact CD2-CD1 3.94Å; L265-I282 HydrophobicContact CD2-CG2 4.29Å; W267-I282 HydrophobicContact CH2-CD1 3.94Å; W267-I282 HydrophobicContact CZ3-CD1 3.89Å; T280-I282 HydrophobicContact CG2-CG1 4.22Å; I282-M293 CarbonylContact O-C 3.44Å; I282-M293 WeakPolarHBondContact O-CA 3.24Å; I282-F294 HydrophobicContact CB-CB 4.27Å; I282-F294 PolarHBondContact N-O 3.26Å; I282-F294 PolarHBondContact O-N 2.95Å; I282-I296 HydrophobicContact CD1-CD1 3.35Å; I282-I296 HydrophobicContact CD1-CG1 4.34Å; I282-I296 HydrophobicContact CG1-CD1 3.96Å; I282-I296 HydrophobicContact CG1-CG1 4.47Å; I282-H303 HydrophobicContact CD1-CB 3.81Å; I282-F318 HydrophobicContact CG2-CD1 4.43Å; I282-I319 CarbonylContact C-O 3.45Å; I282-I319 WeakPolarHBondContact CA-O 3.15Å; I282-L320 HydrophobicContact CD1-CD2 4.16Å; I282-L320 HydrophobicContact CD1-CG 4.4Å; I282-L320 HydrophobicContact CG1-CD2 4.32Å; I282-L320 HydrophobicContact CG1-CG 4.12Å; I282-L320 HydrophobicContact CG2-CD1 4.45Å; I282-L320 HydrophobicContact CG2-CG 4.35Å
283	F	70.6	Confident	75.2	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.1	161.9	-58.3	-63.3	0	0	0	109.2	I132 I133 I281 L291 Q292 M293 F318 I319 F321	I132-F283 HydrophobicContact CB-CD1 4.21Å; I132-F283 HydrophobicContact CB-CE1 3.82Å; I132-F283 HydrophobicContact CB-CZ 4.11Å; I132-F283 HydrophobicContact CD1-CD1 4.31Å; I132-F283 HydrophobicContact CG2-CD1 3.63Å; I132-F283 HydrophobicContact CG2-CE1 2.96Å; I132-F283 HydrophobicContact CG2-CZ 3.53Å; I133-F283 HydrophobicContact CG1-CE2 4.2Å; I281-F283 HydrophobicContact CG2-CE1 3.97Å; I281-F283 HydrophobicContact CG2-CE2 3.96Å; I281-F283 HydrophobicContact CG2-CZ 3.62Å; F283-L291 HydrophobicContact CB-CB 3.94Å; F283-L291 HydrophobicContact CB-CD1 3.77Å; F283-Q292 CarbonylContact C-O 3.48Å; F283-Q292 VanDerWaalsContact CA-O 3.29Å; F283-Q292 WeakPolarHBondContact CA-O 2.93Å; F283-M293 HydrophobicContact CD1-CB 3.86Å; F283-M293 HydrophobicContact CD1-CG 4.1Å; F283-M293 HydrophobicContact CE1-CB 3.6Å; F283-M293 HydrophobicContact CE1-CG 3.46Å; F283-M293 VanDerWaalsContact CE1-CG 3.46Å; F283-M293 HydrophobicContact CE1-SD 3.77Å; F283-M293 HydrophobicContact CZ-CG 4.29Å; F283-M293 HydrophobicContact CZ-SD 4.22Å; F283-F318 CarbonylContact O-C 3.57Å; F283-F318 VanDerWaalsContact O-CA 3.3Å; F283-F318 WeakPolarHBondContact O-CA 2.99Å; F283-I319 HydrophobicContact CB-CB 4.12Å; F283-I319 HydrophobicContact CB-CG1 4.42Å; F283-I319 HydrophobicContact CD2-CB 4.28Å; F283-I319 PolarHBondContact N-O 2.83Å; F283-I319 PolarHBondContact O-N 3.07Å; F283-F321 HydrophobicContact CD2-CD2 4.22Å; F283-F321 AromaticContact CD2-CE2 3.88Å; F283-F321 HydrophobicContact CD2-CE2 3.88Å; F283-F321 AromaticContact CE2-CD2 3.99Å; F283-F321 HydrophobicContact CE2-CD2 3.99Å; F283-F321 AromaticContact CE2-CE2 3.85Å; F283-F321 HydrophobicContact CE2-CE2 3.85Å
284	R	73.3	Confident	74.6	Confident	30 Å²	30	57.1 Å²	57.1	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.9	-176.8	171.9	-169.2	177.2	-156.6	-8.2	109.7	L291 Q292 F294 V305 K306 D307 E316 V317 F318	R284-L291 CarbonylContact O-C 3.59Å; R284-L291 WeakPolarHBondContact O-CA 3.46Å; R284-Q292 PolarHBondContact N-O 2.76Å; R284-Q292 PolarHBondContact O-N 3.39Å; R284-F294 HydrophobicContact CB-CD2 4.27Å; R284-F294 HydrophobicContact CB-CE2 3.92Å; R284-V305 VanDerWaalsContact NH2-CG1 3.33Å; R284-K306 VanDerWaalsContact CZ-O 3.3Å; R284-K306 PolarHBondContact NH1-O 2.91Å; R284-K306 PolarHBondContact NH2-O 2.88Å; R284-D307 PolarHBondContact NH2-O 2.94Å; R284-E316 WeakPolarHBondContact CG-OE1 3.42Å; R284-E316 IonicContact CZ-OE1 3.64Å; R284-E316 IonicContact NE-OE1 3.59Å; R284-E316 PolarHBondContact NE-OE1 3.35Å; R284-E316 IonicContact NH2-OE1 3.58Å; R284-E316 PolarHBondContact NH2-OE1 2.75Å; R284-E316 IonicContact NH2-OE2 3.92Å; R284-V317 WeakPolarHBondContact CA-O 3.34Å; R284-F318 HydrophobicContact CB-CD1 4.13Å; R284-F318 HydrophobicContact CB-CE1 4.16Å; R284-F318 HydrophobicContact CG-CD1 4.06Å; R284-F318 HydrophobicContact CG-CE1 3.6Å; R284-F318 HydrophobicContact CG-CZ 4.22Å
285	G	66.5	Low	74.4	Confident	12 Å²	12	60.2 Å²	60.2	12%	0.124	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-175.5	173.2	0	0	0	0	0	110.8	E316 V317	G285-E316 CarbonylContact O-C 3.57Å; G285-E316 WeakPolarHBondContact O-CA 3.44Å; G285-V317 PolarHBondContact N-O 3.13Å; G285-V317 PolarHBondContact O-N 2.94Å
286	Y	69	Low	74.2	Confident	43 Å²	43	56.4 Å²	56.4	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	145.7	178.1	-55.9	-67.3	0	0	0	110.9	T288 Q289 Q309 I314 E315 E316	Y286-T288 PolarHBondContact O-N 3.16Å; Y286-Q289 PolarHBondContact O-N 3.47Å; Y286-Q309 WeakPolarHBondContact OH-CB 3.05Å; Y286-Q309 PolarHBondContact OH-O 3.37Å; Y286-I314 HydrophobicContact CD1-CG2 3.27Å; Y286-I314 HydrophobicContact CE1-CG2 3.89Å; Y286-I314 HydrophobicContact CG-CG2 3.67Å; Y286-E315 WeakPolarHBondContact CA-O 3.02Å; Y286-E316 HydrophobicContact CD1-CB 4.03Å; Y286-E316 HydrophobicContact CD1-CG 4.36Å; Y286-E316 HydrophobicContact CE1-CB 4.02Å; Y286-E316 HydrophobicContact CE1-CG 4.29Å
287	S	60.2	Low	74.2	Confident	62 Å²	62	53.2 Å²	53.2	43%	0.434	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.7	-177.3	59	0	0	0	0	114.4	E315	S287-E315 PolarHBondContact N-O 2.98Å; S287-E315 VanDerWaalsContact N-O 3.07Å
288	T	59.4	Low	74.1	Confident	120 Å²	120	48.3 Å²	48.3	74%	0.736	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-1	178.3	55.9	0	0	0	0	113.9	Y286	Y286-T288 PolarHBondContact O-N 3.16Å
289	Q	59.5	Low	74	Confident	118 Å²	118	53.2 Å²	53.2	55%	0.551	28%	0.284	S	S	*	.	S	Bend	trans	-126.7	165.6	-172.9	-61.8	-176.7	6.4	0	0	111.8	Y286 L291	Y286-Q289 PolarHBondContact O-N 3.47Å; Q289-L291 PolarHBondContact O-N 3.48Å
290	Q	56.8	Low	74.2	Confident	145 Å²	145	58 Å²	58	68%	0.678	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-66.5	128.9	173.3	-169.4	172.8	9.5	0	0	110	I132	I132-Q290 HydrophobicContact CD1-CG 4.48Å
291	L	64.7	Low	74.3	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-75.8	136.7	179	-52.3	-179.5	0	0	0	110.3	L129 I132 F283 R284 Q289 V317 I319	L129-L291 HydrophobicContact CD1-CD1 3.65Å; L129-L291 HydrophobicContact CG-CD1 4.29Å; I132-L291 HydrophobicContact CD1-CB 3.81Å; I132-L291 WeakPolarHBondContact CD1-O 3.36Å; F283-L291 HydrophobicContact CB-CB 3.94Å; F283-L291 HydrophobicContact CB-CD1 3.77Å; R284-L291 CarbonylContact O-C 3.59Å; R284-L291 WeakPolarHBondContact O-CA 3.46Å; Q289-L291 PolarHBondContact O-N 3.48Å; L291-V317 HydrophobicContact CD2-CB 4.47Å; L291-I319 HydrophobicContact CD1-CD1 3.65Å; L291-I319 HydrophobicContact CD1-CG1 4.26Å
292	Q	70	Confident	74.9	Confident	125 Å²	125	63.9 Å²	63.9	58%	0.584	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.9	169.7	-65.3	-178.8	1.7	0	0	109.8	F283 R284 F294	F283-Q292 CarbonylContact C-O 3.48Å; F283-Q292 VanDerWaalsContact CA-O 3.29Å; F283-Q292 WeakPolarHBondContact CA-O 2.93Å; R284-Q292 PolarHBondContact N-O 2.76Å; R284-Q292 PolarHBondContact O-N 3.39Å; Q292-F294 HydrophobicContact CB-CE2 3.64Å; Q292-F294 HydrophobicContact CB-CZ 4.03Å
293	M	76.2	Confident	75.2	Confident	83 Å²	83	65.6 Å²	65.6	41%	0.409	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.8	178	-178.3	175.2	49.1	0	0	110.6	I132 L136 I281 I282 F283	I132-M293 HydrophobicContact CG2-CB 4.49Å; I132-M293 HydrophobicContact CG2-SD 4.42Å; L136-M293 HydrophobicContact CD1-SD 4.02Å; I281-M293 HydrophobicContact CG2-CG 3.82Å; I281-M293 HydrophobicContact CG2-SD 4.14Å; I282-M293 CarbonylContact O-C 3.44Å; I282-M293 WeakPolarHBondContact O-CA 3.24Å; F283-M293 HydrophobicContact CD1-CB 3.86Å; F283-M293 HydrophobicContact CD1-CG 4.1Å; F283-M293 HydrophobicContact CE1-CB 3.6Å; F283-M293 HydrophobicContact CE1-CG 3.46Å; F283-M293 VanDerWaalsContact CE1-CG 3.46Å; F283-M293 HydrophobicContact CE1-SD 3.77Å; F283-M293 HydrophobicContact CZ-CG 4.29Å; F283-M293 HydrophobicContact CZ-SD 4.22Å
294	F	76.9	Confident	75.8	Confident	59 Å²	59	71 Å²	71	26%	0.259	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.6	172.8	-58.1	-92.4	0	0	0	109.2	I281 I282 R284 Q292	I281-F294 CarbonylContact C-O 3.56Å; I281-F294 WeakPolarHBondContact CA-O 3.43Å; I282-F294 HydrophobicContact CB-CB 4.27Å; I282-F294 PolarHBondContact N-O 3.26Å; I282-F294 PolarHBondContact O-N 2.95Å; R284-F294 HydrophobicContact CB-CD2 4.27Å; R284-F294 HydrophobicContact CB-CE2 3.92Å; Q292-F294 HydrophobicContact CB-CE2 3.64Å; Q292-F294 HydrophobicContact CB-CZ 4.03Å
295	T	83.4	Confident	76	Confident	97 Å²	97	69.7 Å²	69.7	60%	0.595	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	173	-57	0	0	0	0	108.5	I281	I281-T295 HydrophobicContact CD1-CG2 3.88Å
296	I	85.6	Confident	76.2	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.8	-178.3	-52	-169.6	0	0	0	108	W267 S279 T280 I282 K300 H303	W267-I296 HydrophobicContact CH2-CD1 4Å; S279-I296 CarbonylContact C-O 3.54Å; S279-I296 VanDerWaalsContact CA-O 3.23Å; S279-I296 WeakPolarHBondContact CA-O 3.39Å; S279-I296 VanDerWaalsContact CB-O 3.23Å; S279-I296 WeakPolarHBondContact CB-O 3.21Å; T280-I296 PolarHBondContact N-O 3.29Å; T280-I296 PolarHBondContact O-N 3.19Å; I282-I296 HydrophobicContact CD1-CD1 3.35Å; I282-I296 HydrophobicContact CD1-CG1 4.34Å; I282-I296 HydrophobicContact CG1-CD1 3.96Å; I282-I296 HydrophobicContact CG1-CG1 4.47Å; I296-K300 HydrophobicContact CG2-CB 3.68Å; I296-K300 HydrophobicContact CG2-CD 3.75Å; I296-K300 HydrophobicContact CG2-CG 4.2Å; I296-H303 HydrophobicContact CD1-CB 3.56Å; I296-H303 VanDerWaalsContact CD1-ND1 3.31Å; I296-H303 WeakPolarHBondContact CD1-ND1 3.39Å
297	S	87.5	Confident	76	Confident	59 Å²	59	79.7 Å²	79.7	41%	0.413	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.5	173.7	-179.2	0	0	0	0	110.8	D299 K300	S297-D299 WeakPolarHBondContact CB-OD1 3.25Å; S297-D299 PolarHBondContact O-N 3.25Å; S297-D299 PolarHBondContact OG-OD1 3.23Å; S297-K300 PolarHBondContact O-N 2.72Å; S297-K300 VanDerWaalsContact O-N 3.07Å
298	S	85	Confident	76	Confident	7 Å²	7	78.7 Å²	78.7	5%	0.049	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.8	-175.1	58.4	0	0	0	0	114.7	R269 D278 K300	R269-S298 PolarHBondContact NH1-O 2.87Å; R269-S298 PolarHBondContact NH2-O 2.78Å; D278-S298 VanDerWaalsContact C-CB 3.44Å; D278-S298 WeakPolarHBondContact O-CB 3.27Å; D278-S298 PolarHBondContact O-N 2.67Å; D278-S298 PolarHBondContact O-OG 2.8Å; S298-K300 VanDerWaalsContact C-N 3.31Å
299	D	86.3	Confident	75.9	Confident	111 Å²	111	78.9 Å²	78.9	59%	0.594	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.8	170.9	66.1	-36.6	0	0	0	112.4	S297	S297-D299 WeakPolarHBondContact CB-OD1 3.25Å; S297-D299 PolarHBondContact O-N 3.25Å; S297-D299 PolarHBondContact OG-OD1 3.23Å
300	K	89.2	Confident	75.8	Confident	115 Å²	115	77.2 Å²	77.2	50%	0.5	38%	0.384	S	S	.	.			trans	-83.1	144.3	179.4	-61.8	-173.8	176.4	-177.1	0	111.8	W267 I296 S297 S298	W267-K300 WeakPolarHBondContact CZ2-O 3.32Å; I296-K300 HydrophobicContact CG2-CB 3.68Å; I296-K300 HydrophobicContact CG2-CD 3.75Å; I296-K300 HydrophobicContact CG2-CG 4.2Å; S297-K300 PolarHBondContact O-N 2.72Å; S297-K300 VanDerWaalsContact O-N 3.07Å; S298-K300 VanDerWaalsContact C-N 3.31Å
301	V	87.6	Confident	75.6	Confident	57 Å²	57	76.1 Å²	76.1	35%	0.345	38%	0.379	S	S	.	.			trans	-125.7	9.6	177.3	-67.6	0	0	0	0	112.1	M266 W267	M266-V301 WeakPolarHBondContact CA-O 3.13Å; W267-V301 PolarHBondContact N-O 3.03Å; W267-V301 WeakPolarHBondContact O-CB 3.27Å
302	E	88.2	Confident	74.8	Confident	68 Å²	68	84.7 Å²	84.7	32%	0.318	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.7	177	64.2	175.4	-146.8	0	0	112.1	L265 M266 Y304	L265-E302 CarbonylContact O-C 3.58Å; L265-E302 WeakPolarHBondContact O-CA 3.43Å; M266-E302 HydrophobicContact CG-CB 4.19Å; E302-Y304 HydrophobicContact CG-CE2 4.45Å; E302-Y304 VanDerWaalsContact OE1-CE2 3.28Å; E302-Y304 WeakPolarHBondContact OE1-CE2 2.96Å; E302-Y304 PolarHBondContact OE1-OH 3.28Å
303	H	83.9	Confident	73.9	Confident	36 Å²	36	82.8 Å²	82.8	17%	0.167	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.9	175.9	-178.2	63.7	0	0	0	110.5	H264 L265 W267 I282 I296	H264-H303 WeakPolarHBondContact CA-O 3.49Å; L265-H303 HydrophobicContact CB-CB 4.48Å; L265-H303 PolarHBondContact N-O 2.77Å; L265-H303 PolarHBondContact O-N 3.42Å; W267-H303 HydrophobicContact CH2-CB 4.08Å; W267-H303 HydrophobicContact CZ3-CB 3.87Å; I282-H303 HydrophobicContact CD1-CB 3.81Å; I296-H303 HydrophobicContact CD1-CB 3.56Å; I296-H303 VanDerWaalsContact CD1-ND1 3.31Å; I296-H303 WeakPolarHBondContact CD1-ND1 3.39Å
304	Y	83.6	Confident	72.9	Confident	120 Å²	120	82 Å²	82	47%	0.471	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.4	178.4	-67.9	-93	0	0	0	110.4	L258 H264 E302	L258-Y304 HydrophobicContact CD1-CD1 4.29Å; L258-Y304 HydrophobicContact CD1-CE1 3.57Å; H264-Y304 HydrophobicContact CB-CD1 4.35Å; E302-Y304 HydrophobicContact CG-CE2 4.45Å; E302-Y304 VanDerWaalsContact OE1-CE2 3.28Å; E302-Y304 WeakPolarHBondContact OE1-CE2 2.96Å; E302-Y304 PolarHBondContact OE1-OH 3.28Å
305	V	76.4	Confident	72.2	Confident	2 Å²	2	82.6 Å²	82.6	1%	0.012	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.2	-175.8	-172.7	0	0	0	0	107.9	R263 L265 R284 F308 F318	R263-V305 HydrophobicContact CB-CB 4.45Å; R263-V305 PolarHBondContact O-N 2.82Å; L265-V305 HydrophobicContact CB-CG2 4.23Å; R284-V305 VanDerWaalsContact NH2-CG1 3.33Å; V305-F308 HydrophobicContact CG1-CD2 4.33Å; V305-F318 HydrophobicContact CG1-CE1 4.22Å; V305-F318 HydrophobicContact CG1-CZ 4.11Å; V305-F318 HydrophobicContact CG2-CE1 4.06Å; V305-F318 HydrophobicContact CG2-CZ 4.42Å
306	K	70.8	Confident	71.3	Confident	132 Å²	132	79.3 Å²	79.3	57%	0.574	41%	0.411	S	S	*	.			trans	-82.3	150.1	169.4	-65.6	-175.1	-179.1	179.6	0	109.9	Y262 R284	Y262-K306 HydrophobicContact CE1-CG 4.37Å; R284-K306 VanDerWaalsContact CZ-O 3.3Å; R284-K306 PolarHBondContact NH1-O 2.91Å; R284-K306 PolarHBondContact NH2-O 2.88Å
307	D	64.5	Low	70.4	Confident	133 Å²	133	80.7 Å²	80.7	71%	0.711	42%	0.42	S	S	*	.			trans	61	52.5	168.3	-46.1	-42.9	0	0	0	114	R284 Q309	R284-D307 PolarHBondContact NH2-O 2.94Å; D307-Q309 PolarHBondContact O-N 3.1Å
308	F	61.5	Low	69.6	Low	41 Å²	41	79 Å²	79	18%	0.18	41%	0.406	C	S	.	.			trans	-79.1	100.8	171.2	-164	-99.2	0	0	0	109	R263 V305 T310 E316 F318	R263-F308 VanDerWaalsContact NE-CD1 3.3Å; V305-F308 HydrophobicContact CG1-CD2 4.33Å; F308-T310 HydrophobicContact CD1-CG2 3.62Å; F308-T310 HydrophobicContact CE1-CG2 3.14Å; F308-T310 HydrophobicContact CZ-CG2 4.03Å; F308-E316 WeakPolarHBondContact CD2-OE2 3.23Å; F308-E316 HydrophobicContact CE2-CB 3.83Å; F308-E316 HydrophobicContact CE2-CG 4.08Å; F308-E316 WeakPolarHBondContact CE2-OE2 3.39Å; F308-E316 HydrophobicContact CZ-CB 4.22Å; F308-F318 HydrophobicContact CD2-CZ 4.25Å; F308-F318 AromaticContact CE2-CE2 3.78Å; F308-F318 HydrophobicContact CE2-CE2 3.78Å; F308-F318 AromaticContact CE2-CZ 3.9Å; F308-F318 HydrophobicContact CE2-CZ 3.9Å
309	Q	57.4	Low	68.9	Low	125 Å²	125	80.1 Å²	80.1	58%	0.584	41%	0.411	S	S	*	.			trans	-97	106.2	174.4	-61.6	-165.4	-5.7	0	0	109.6	Y286 D307 E311	Y286-Q309 WeakPolarHBondContact OH-CB 3.05Å; Y286-Q309 PolarHBondContact OH-O 3.37Å; D307-Q309 PolarHBondContact O-N 3.1Å; Q309-E311 PolarHBondContact O-N 3.18Å
310	T	55.7	Low	68.4	Low	82 Å²	82	75.5 Å²	75.5	50%	0.503	39%	0.386	S	S	.	.			trans	-92.1	93.7	166.9	47.8	0	0	0	0	108.7	F308	F308-T310 HydrophobicContact CD1-CG2 3.62Å; F308-T310 HydrophobicContact CE1-CG2 3.14Å; F308-T310 HydrophobicContact CZ-CG2 4.03Å
311	E	53.4	Low	67.7	Low	122 Å²	122	71 Å²	71	57%	0.57	37%	0.366	S	S	*	.			trans	-82.3	146.4	157.4	-68.5	-172.6	167.3	0	0	109.1	Q309 G313 I314	Q309-E311 PolarHBondContact O-N 3.18Å; E311-G313 PolarHBondContact O-N 3.39Å; E311-G313 VanDerWaalsContact O-N 3.14Å; E311-I314 HydrophobicContact CB-CD1 3.99Å; E311-I314 HydrophobicContact CB-CG1 4.21Å; E311-I314 PolarHBondContact O-N 3.05Å; E311-I314 VanDerWaalsContact O-N 3.1Å
312	E	48.2	Very low	67.2	Low	191 Å²	191	68.7 Å²	68.7	89%	0.893	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	120.2	178.8	-116.5	178.3	170.5	0	0	110.1
313	G	51.4	Low	66.6	Low	86 Å²	86	68.3 Å²	68.3	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-0.3	179.4	0	0	0	0	0	115.9	E311	E311-G313 PolarHBondContact O-N 3.39Å; E311-G313 VanDerWaalsContact O-N 3.14Å
314	I	55.6	Low	66.4	Low	65 Å²	65	67.1 Å²	67.1	33%	0.333	34%	0.344	S	S	.	.			trans	-105.9	112.4	174.4	-50.1	-172.9	0	0	0	109.7	Y286 E311	Y286-I314 HydrophobicContact CD1-CG2 3.27Å; Y286-I314 HydrophobicContact CE1-CG2 3.89Å; Y286-I314 HydrophobicContact CG-CG2 3.67Å; E311-I314 HydrophobicContact CB-CD1 3.99Å; E311-I314 HydrophobicContact CB-CG1 4.21Å; E311-I314 PolarHBondContact O-N 3.05Å; E311-I314 VanDerWaalsContact O-N 3.1Å
315	E	60.2	Low	65.9	Low	72 Å²	72	64 Å²	64	34%	0.336	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-91	119.6	177	-68.5	-172.6	162.1	0	0	110.7	H15 Y286 S287	H15-E315 IonicContact CD2-OE1 3.73Å; H15-E315 IonicContact NE2-OE1 3.08Å; Y286-E315 WeakPolarHBondContact CA-O 3.02Å; S287-E315 PolarHBondContact N-O 2.98Å; S287-E315 VanDerWaalsContact N-O 3.07Å
316	E	65.1	Low	65.2	Low	28 Å²	28	68.5 Å²	68.5	13%	0.131	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.1	167.6	-165.6	169	175.4	0	0	109.6	R284 G285 Y286 F308 F318	R284-E316 WeakPolarHBondContact CG-OE1 3.42Å; R284-E316 IonicContact CZ-OE1 3.64Å; R284-E316 IonicContact NE-OE1 3.59Å; R284-E316 PolarHBondContact NE-OE1 3.35Å; R284-E316 IonicContact NH2-OE1 3.58Å; R284-E316 PolarHBondContact NH2-OE1 2.75Å; R284-E316 IonicContact NH2-OE2 3.92Å; G285-E316 CarbonylContact O-C 3.57Å; G285-E316 WeakPolarHBondContact O-CA 3.44Å; Y286-E316 HydrophobicContact CD1-CB 4.03Å; Y286-E316 HydrophobicContact CD1-CG 4.36Å; Y286-E316 HydrophobicContact CE1-CB 4.02Å; Y286-E316 HydrophobicContact CE1-CG 4.29Å; F308-E316 WeakPolarHBondContact CD2-OE2 3.23Å; F308-E316 HydrophobicContact CE2-CB 3.83Å; F308-E316 HydrophobicContact CE2-CG 4.08Å; F308-E316 WeakPolarHBondContact CE2-OE2 3.39Å; F308-E316 HydrophobicContact CZ-CB 4.22Å; E316-F318 HydrophobicContact CB-CE2 4.48Å; E316-F318 HydrophobicContact CG-CE2 4.08Å; E316-F318 HydrophobicContact CG-CZ 4.18Å
317	V	67.3	Low	65	Low	42 Å²	42	64.6 Å²	64.6	26%	0.255	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.1	-176.1	-178.2	0	0	0	0	109	R284 G285 L291 I319	R284-V317 WeakPolarHBondContact CA-O 3.34Å; G285-V317 PolarHBondContact N-O 3.13Å; G285-V317 PolarHBondContact O-N 2.94Å; L291-V317 HydrophobicContact CD2-CB 4.47Å; V317-I319 HydrophobicContact CG1-CD1 4.16Å; V317-I319 HydrophobicContact CG1-CG1 3.77Å
318	F	69.7	Low	65.1	Low	25 Å²	25	60.5 Å²	60.5	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.2	168.9	-62.7	-91.9	0	0	0	109.3	I255 L265 I282 F283 R284 V305 F308 E316 L320	I255-F318 HydrophobicContact CD1-CD2 3.83Å; I255-F318 HydrophobicContact CD1-CE2 3.8Å; L265-F318 HydrophobicContact CD1-CG 4.45Å; L265-F318 HydrophobicContact CD2-CD1 3.97Å; L265-F318 HydrophobicContact CD2-CG 4.46Å; I282-F318 HydrophobicContact CG2-CD1 4.43Å; F283-F318 CarbonylContact O-C 3.57Å; F283-F318 VanDerWaalsContact O-CA 3.3Å; F283-F318 WeakPolarHBondContact O-CA 2.99Å; R284-F318 HydrophobicContact CB-CD1 4.13Å; R284-F318 HydrophobicContact CB-CE1 4.16Å; R284-F318 HydrophobicContact CG-CD1 4.06Å; R284-F318 HydrophobicContact CG-CE1 3.6Å; R284-F318 HydrophobicContact CG-CZ 4.22Å; V305-F318 HydrophobicContact CG1-CE1 4.22Å; V305-F318 HydrophobicContact CG1-CZ 4.11Å; V305-F318 HydrophobicContact CG2-CE1 4.06Å; V305-F318 HydrophobicContact CG2-CZ 4.42Å; F308-F318 HydrophobicContact CD2-CZ 4.25Å; F308-F318 AromaticContact CE2-CE2 3.78Å; F308-F318 HydrophobicContact CE2-CE2 3.78Å; F308-F318 AromaticContact CE2-CZ 3.9Å; F308-F318 HydrophobicContact CE2-CZ 3.9Å; E316-F318 HydrophobicContact CB-CE2 4.48Å; E316-F318 HydrophobicContact CG-CE2 4.08Å; E316-F318 HydrophobicContact CG-CZ 4.18Å; F318-L320 HydrophobicContact CB-CD1 3.9Å
319	I	72	Confident	65.5	Low	29 Å²	29	58.6 Å²	58.6	15%	0.149	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.8	176.2	-41.5	178.7	0	0	0	107.9	L129 I282 F283 L291 V317 F321	L129-I319 HydrophobicContact CD1-CD1 3.71Å; L129-I319 HydrophobicContact CD2-CD1 3.37Å; L129-I319 HydrophobicContact CG-CD1 3.4Å; L129-I319 VanDerWaalsContact CG-CD1 3.4Å; I282-I319 CarbonylContact C-O 3.45Å; I282-I319 WeakPolarHBondContact CA-O 3.15Å; F283-I319 HydrophobicContact CB-CB 4.12Å; F283-I319 HydrophobicContact CB-CG1 4.42Å; F283-I319 HydrophobicContact CD2-CB 4.28Å; F283-I319 PolarHBondContact N-O 2.83Å; F283-I319 PolarHBondContact O-N 3.07Å; L291-I319 HydrophobicContact CD1-CD1 3.65Å; L291-I319 HydrophobicContact CD1-CG1 4.26Å; V317-I319 HydrophobicContact CG1-CD1 4.16Å; V317-I319 HydrophobicContact CG1-CG1 3.77Å; I319-F321 HydrophobicContact CB-CE2 4.18Å; I319-F321 HydrophobicContact CB-CZ 4.44Å; I319-F321 HydrophobicContact CG2-CD2 4.22Å; I319-F321 HydrophobicContact CG2-CE1 3.98Å; I319-F321 HydrophobicContact CG2-CE2 3.26Å; I319-F321 HydrophobicContact CG2-CZ 3.13Å
320	L	75	Confident	65.7	Low	15 Å²	15	54.9 Å²	54.9	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.3	-172	-71.3	81.8	0	0	0	109.5	I250 V253 L265 W267 I281 I282 F318	I250-L320 HydrophobicContact CD1-CB 3.6Å; I250-L320 HydrophobicContact CD1-CD2 4.47Å; I250-L320 HydrophobicContact CG2-CB 4.27Å; V253-L320 HydrophobicContact CG1-CD1 4.16Å; V253-L320 HydrophobicContact CG1-CD2 4.46Å; V253-L320 HydrophobicContact CG2-CD2 4.48Å; L265-L320 HydrophobicContact CD2-CD1 3.74Å; L265-L320 HydrophobicContact CD2-CD2 3.72Å; L265-L320 HydrophobicContact CD2-CG 4.14Å; L265-L320 HydrophobicContact CG-CD2 4.37Å; W267-L320 HydrophobicContact CB-CD2 4.4Å; W267-L320 HydrophobicContact CD2-CD2 3.77Å; W267-L320 HydrophobicContact CE3-CD2 3.59Å; W267-L320 HydrophobicContact CG-CD2 4.14Å; W267-L320 HydrophobicContact CZ3-CD2 4.17Å; I281-L320 WeakPolarHBondContact O-CA 3.43Å; I282-L320 HydrophobicContact CD1-CD2 4.16Å; I282-L320 HydrophobicContact CD1-CG 4.4Å; I282-L320 HydrophobicContact CG1-CD2 4.32Å; I282-L320 HydrophobicContact CG1-CG 4.12Å; I282-L320 HydrophobicContact CG2-CD1 4.45Å; I282-L320 HydrophobicContact CG2-CG 4.35Å; F318-L320 HydrophobicContact CB-CD1 3.9Å
321	F	74	Confident	65.6	Low	19 Å²	19	53 Å²	53	8%	0.083	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.8	172.3	-47.1	-78.6	0	0	0	109.9	I133 T280 I281 F283 I319 S329 P331	I133-F321 HydrophobicContact CD1-CE2 3.94Å; I133-F321 HydrophobicContact CD1-CZ 3.84Å; I133-F321 HydrophobicContact CG1-CE2 4.29Å; T280-F321 CarbonylContact C-O 3.43Å; T280-F321 WeakPolarHBondContact CA-O 2.96Å; I281-F321 PolarHBondContact N-O 3.41Å; I281-F321 PolarHBondContact O-N 3.05Å; F283-F321 HydrophobicContact CD2-CD2 4.22Å; F283-F321 AromaticContact CD2-CE2 3.88Å; F283-F321 HydrophobicContact CD2-CE2 3.88Å; F283-F321 AromaticContact CE2-CD2 3.99Å; F283-F321 HydrophobicContact CE2-CD2 3.99Å; F283-F321 AromaticContact CE2-CE2 3.85Å; F283-F321 HydrophobicContact CE2-CE2 3.85Å; I319-F321 HydrophobicContact CB-CE2 4.18Å; I319-F321 HydrophobicContact CB-CZ 4.44Å; I319-F321 HydrophobicContact CG2-CD2 4.22Å; I319-F321 HydrophobicContact CG2-CE1 3.98Å; I319-F321 HydrophobicContact CG2-CE2 3.26Å; I319-F321 HydrophobicContact CG2-CZ 3.13Å; F321-S329 VanDerWaalsContact CD1-O 3.3Å; F321-S329 WeakPolarHBondContact CD1-O 3.32Å; F321-P331 HydrophobicContact CE1-CG 3.91Å
322	N	76.8	Confident	65.4	Low	10 Å²	10	47.5 Å²	47.5	5%	0.053	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	147.1	162.9	-68	-37.6	0	0	0	109.3	V247 P248 I250 S279 T280 F328 S329	V247-N322 HydrophobicContact CG1-CB 3.71Å; P248-N322 PolarHBondContact O-ND2 2.97Å; I250-N322 WeakPolarHBondContact CG1-ND2 3.46Å; S279-N322 CarbonylContact O-C 3.53Å; S279-N322 WeakPolarHBondContact O-CA 3.45Å; T280-N322 PolarHBondContact OG1-OD1 2.92Å; N322-F328 CarbonylContact O-C 3.55Å; N322-F328 VanDerWaalsContact O-CA 3.25Å; N322-F328 WeakPolarHBondContact O-CA 3.19Å; N322-S329 PolarHBondContact N-OG 2.76Å; N322-S329 PolarHBondContact O-N 2.87Å
323	K	77.2	Confident	65.1	Low	59 Å²	59	39.9 Å²	39.9	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.4	177.2	178	-173	172.9	-171.7	0	108.8	D278 S279 I281 G325 R327 F328	D278-K323 WeakPolarHBondContact CA-O 3.21Å; D278-K323 WeakPolarHBondContact CB-O 3.11Å; S279-K323 PolarHBondContact N-O 3.46Å; S279-K323 PolarHBondContact O-N 3.46Å; I281-K323 HydrophobicContact CD1-CD 4.27Å; I281-K323 HydrophobicContact CG1-CB 4.04Å; I281-K323 HydrophobicContact CG1-CD 4.39Å; K323-G325 WeakPolarHBondContact CE-O 3.25Å; K323-R327 CarbonylContact C-O 3.42Å; K323-R327 VanDerWaalsContact CA-O 3.31Å; K323-R327 WeakPolarHBondContact CA-O 3.49Å; K323-F328 HydrophobicContact CB-CD1 3.98Å; K323-F328 HydrophobicContact CB-CE1 3.95Å; K323-F328 HydrophobicContact CD-CE1 3.89Å; K323-F328 HydrophobicContact CD-CZ 4.26Å; K323-F328 HydrophobicContact CG-CD1 4.18Å; K323-F328 HydrophobicContact CG-CE1 3.79Å; K323-F328 HydrophobicContact CG-CZ 4.31Å
324	H	78.1	Confident	64.2	Low	11 Å²	11	39.3 Å²	39.3	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	110.4	173.8	171.4	62.6	0	0	0	108.8	K245 V247 E275 D278 N326 R327	K245-H324 PolarHBondContact NZ-NE2 3.01Å; V247-H324 HydrophobicContact CG1-CB 4.03Å; V247-H324 HydrophobicContact CG2-CB 3.87Å; E275-H324 IonicContact OE1-CE1 3.74Å; D278-H324 WeakPolarHBondContact OD1-CA 3.04Å; D278-H324 WeakPolarHBondContact OD1-CB 3.32Å; D278-H324 IonicContact OD1-CE1 3.53Å; D278-H324 IonicContact OD1-CG 3.82Å; D278-H324 IonicContact OD1-ND1 2.76Å; D278-H324 PolarHBondContact OD1-ND1 2.89Å; D278-H324 IonicContact OD2-CG 2.69Å; D278-H324 IonicContact OD2-ND1 3.28Å; D278-H324 PolarHBondContact OD2-ND1 2.89Å; H324-N326 PolarHBondContact O-N 2.94Å; H324-R327 PolarHBondContact N-O 3.09Å; H324-R327 WeakPolarHBondContact O-CB 3.29Å; H324-R327 PolarHBondContact O-N 2.79Å
325	G	72.8	Confident	63.1	Low	56 Å²	56	41 Å²	41	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-112.4	-171.3	0	0	0	0	0	111.5	K323	K323-G325 WeakPolarHBondContact CE-O 3.25Å
326	N	63.5	Low	61.8	Low	96 Å²	96	41.6 Å²	41.6	51%	0.513	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	9.9	177.9	74.2	-36.3	0	0	0	114.2	H137 H324	H137-N326 WeakPolarHBondContact NE2-CB 3.49Å; H137-N326 PolarHBondContact NE2-ND2 3.04Å; H324-N326 PolarHBondContact O-N 2.94Å
327	R	65.9	Low	60	Low	50 Å²	50	43.6 Å²	43.6	19%	0.189	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.1	-178.6	-57.8	177.2	-178.5	131.1	4.5	110.7	E149 V247 K323 H324	E149-R327 IonicContact OE1-CZ 2.87Å; E149-R327 IonicContact OE1-NH1 3.16Å; E149-R327 IonicContact OE1-NH2 2.76Å; E149-R327 PolarHBondContact OE1-NH2 3.07Å; E149-R327 IonicContact OE2-NH2 3.72Å; V247-R327 HydrophobicContact CG2-CB 3.56Å; K323-R327 CarbonylContact C-O 3.42Å; K323-R327 VanDerWaalsContact CA-O 3.31Å; K323-R327 WeakPolarHBondContact CA-O 3.49Å; H324-R327 PolarHBondContact N-O 3.09Å; H324-R327 WeakPolarHBondContact O-CB 3.29Å; H324-R327 PolarHBondContact O-N 2.79Å
328	F	67.2	Low	58.3	Low	46 Å²	46	45 Å²	45	20%	0.202	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.3	174.9	-60.2	-86.9	0	0	0	110.1	L136 I281 N322 K323 L330	L136-F328 HydrophobicContact CB-CE2 4.43Å; L136-F328 HydrophobicContact CB-CZ 3.86Å; L136-F328 HydrophobicContact CD1-CE1 3.94Å; L136-F328 HydrophobicContact CD1-CZ 3.71Å; L136-F328 HydrophobicContact CG-CZ 4.25Å; I281-F328 HydrophobicContact CG1-CE1 4.25Å; N322-F328 CarbonylContact O-C 3.55Å; N322-F328 VanDerWaalsContact O-CA 3.25Å; N322-F328 WeakPolarHBondContact O-CA 3.19Å; K323-F328 HydrophobicContact CB-CD1 3.98Å; K323-F328 HydrophobicContact CB-CE1 3.95Å; K323-F328 HydrophobicContact CD-CE1 3.89Å; K323-F328 HydrophobicContact CD-CZ 4.26Å; K323-F328 HydrophobicContact CG-CD1 4.18Å; K323-F328 HydrophobicContact CG-CE1 3.79Å; K323-F328 HydrophobicContact CG-CZ 4.31Å; F328-L330 PolarHBondContact O-N 3.16Å
329	S	69.9	Low	56.2	Low	2 Å²	2	47.8 Å²	47.8	1%	0.014	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-67.8	124.3	168.7	65.4	0	0	0	0	108.6	P248 F321 N322	P248-S329 VanDerWaalsContact O-CB 3.28Å; P248-S329 WeakPolarHBondContact O-CB 3.49Å; F321-S329 VanDerWaalsContact CD1-O 3.3Å; F321-S329 WeakPolarHBondContact CD1-O 3.32Å; N322-S329 PolarHBondContact N-OG 2.76Å; N322-S329 PolarHBondContact O-N 2.87Å
330	L	61.7	Low	54.1	Low	47 Å²	47	51.4 Å²	51.4	25%	0.246	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-77.4	134.1	166.5	-72.3	172.1	0	0	0	108.5	V164 E167 F328	V164-L330 HydrophobicContact CG1-CD1 3.82Å; E167-L330 HydrophobicContact CB-CB 3.87Å; E167-L330 HydrophobicContact CB-CD1 4.27Å; E167-L330 HydrophobicContact CG-CB 4.05Å; E167-L330 HydrophobicContact CG-CD1 3.71Å; E167-L330 HydrophobicContact CG-CG 4.46Å; F328-L330 PolarHBondContact O-N 3.16Å
331	P	53.5	Low	51.6	Low	42 Å²	42	54 Å²	54	27%	0.273	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-72.6	144	-178	32.8	-36.2	0	0	0	109.5	F321 M333 I336	F321-P331 HydrophobicContact CE1-CG 3.91Å; P331-M333 PolarHBondContact O-N 3.31Å; P331-I336 HydrophobicContact CB-CD1 3.49Å; P331-I336 VanDerWaalsContact CB-CD1 3.49Å; P331-I336 HydrophobicContact CB-CG1 3.51Å; P331-I336 HydrophobicContact CG-CD1 3.39Å; P331-I336 HydrophobicContact CG-CG1 3.86Å
332	T	47.9	Very low	49.2	Very low	6 Å²	6	57.7 Å²	57.7	4%	0.037	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72.9	117.9	176.6	13.3	0	0	0	0	110.4	T169 G334 N335	T169-T332 VanDerWaalsContact N-CG2 3.26Å; T169-T332 WeakPolarHBondContact OG1-CG2 3.43Å; T332-G334 PolarHBondContact O-N 2.82Å; T332-N335 PolarHBondContact O-N 3.05Å
333	M	42	Very low	46.7	Very low	32 Å²	32	62.5 Å²	62.5	16%	0.158	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	134.4	169.3	-74.6	-133.7	-61.9	0	0	110.5	I37 Q166 Q168 P331 I336	I37-M333 HydrophobicContact CB-CE 3.25Å; I37-M333 HydrophobicContact CB-SD 3.93Å; I37-M333 HydrophobicContact CD1-CE 3.18Å; I37-M333 HydrophobicContact CG1-CE 3.27Å; I37-M333 HydrophobicContact CG2-CE 4.29Å; I37-M333 VanDerWaalsContact O-SD 3.36Å; Q166-M333 VanDerWaalsContact NE2-CG 3.33Å; Q166-M333 PolarHBondContact NE2-SD 3.28Å; Q168-M333 HydrophobicContact CG-CB 4.22Å; P331-M333 PolarHBondContact O-N 3.31Å; M333-I336 HydrophobicContact CG-CD1 3.93Å
334	G	32.6	Very low	44.1	Very low	73 Å²	73	62.9 Å²	62.9	75%	0.753	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.3	-35.5	-163.4	0	0	0	0	0	112.6	T332	T332-G334 PolarHBondContact O-N 2.82Å
335	N	32.8	Very low	41.4	Very low	102 Å²	102	69.9 Å²	69.9	55%	0.545	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-7.2	-178.9	-80	-28.1	0	0	0	114.9	T332 L337	T332-N335 PolarHBondContact O-N 3.05Å; N335-L337 VanDerWaalsContact C-N 3.33Å; N335-L337 PolarHBondContact O-N 3.13Å
336	I	32.7	Very low	39.2	Very low	84 Å²	84	73 Å²	73	43%	0.431	38%	0.382	S	S	.	.			trans	-76.5	-17.5	-172.2	-66.8	157.9	0	0	0	113.6	P331 M333 L338	P331-I336 HydrophobicContact CB-CD1 3.49Å; P331-I336 VanDerWaalsContact CB-CD1 3.49Å; P331-I336 HydrophobicContact CB-CG1 3.51Å; P331-I336 HydrophobicContact CG-CD1 3.39Å; P331-I336 HydrophobicContact CG-CG1 3.86Å; M333-I336 HydrophobicContact CG-CD1 3.93Å; I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 3.25Å
337	L	28.5	Very low	37.3	Very low	70 Å²	70	76.2 Å²	76.2	37%	0.366	39%	0.392	S	S	.	.			trans	-84.1	76.6	173.9	-80.8	164.6	0	0	0	110.4	L8 N335 R339	L8-L337 HydrophobicContact CD1-CD2 4.14Å; L8-L337 HydrophobicContact CD2-CD2 3.89Å; N335-L337 VanDerWaalsContact C-N 3.33Å; N335-L337 PolarHBondContact O-N 3.13Å; L337-R339 HydrophobicContact CD2-CG 4.35Å; L337-R339 PolarHBondContact O-N 2.76Å
338	L	30	Very low	35.3	Very low	71 Å²	71	81.1 Å²	81.1	37%	0.372	42%	0.421	S	S	.	.			trans	-68.5	74.8	154.2	-106.5	157.8	0	0	0	108.7	V253 I336 F340	V253-L338 HydrophobicContact CB-CD1 3.67Å; V253-L338 HydrophobicContact CG1-CD1 3.56Å; I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 3.25Å; L338-F340 HydrophobicContact CD2-CD2 3.43Å; L338-F340 VanDerWaalsContact CD2-CD2 3.43Å; L338-F340 HydrophobicContact CD2-CE2 3.07Å; L338-F340 HydrophobicContact CD2-CZ 3.98Å; L338-F340 PolarHBondContact O-N 3.35Å
339	R	26.8	Very low	33.2	Very low	84 Å²	84	82.3 Å²	82.3	32%	0.317	44%	0.44	S	S	.	.			trans	-78.1	94.7	162.4	-78.8	176	-178.1	-111.7	-23.4	108.4	H15 E16 L337 L341	H15-R339 PolarHBondContact O-NH1 3.42Å; H15-R339 PolarHBondContact O-NH2 2.96Å; E16-R339 VanDerWaalsContact CA-NH2 3.27Å; L337-R339 HydrophobicContact CD2-CG 4.35Å; L337-R339 PolarHBondContact O-N 2.76Å; R339-L341 PolarHBondContact O-N 3.16Å
340	F	26.5	Very low	30.9	Very low	104 Å²	104	88.5 Å²	88.5	46%	0.456	47%	0.472	S	S	.	.			trans	-90.3	84.2	154.3	-78.9	-68.4	0	0	0	108.8	I255 L338 L342	I255-F340 HydrophobicContact CB-CE2 4.1Å; I255-F340 HydrophobicContact CB-CZ 4.47Å; I255-F340 HydrophobicContact CD1-CD2 3.99Å; I255-F340 HydrophobicContact CD1-CE2 3.84Å; I255-F340 HydrophobicContact CG1-CE2 4.05Å; L338-F340 HydrophobicContact CD2-CD2 3.43Å; L338-F340 VanDerWaalsContact CD2-CD2 3.43Å; L338-F340 HydrophobicContact CD2-CE2 3.07Å; L338-F340 HydrophobicContact CD2-CZ 3.98Å; L338-F340 PolarHBondContact O-N 3.35Å; F340-L342 PolarHBondContact O-N 2.79Å
341	L	23.9	Very low	29.2	Very low	69 Å²	69	95.1 Å²	95.1	36%	0.361	50%	0.499	S	S	.	.			trans	-67.9	76.1	146.6	-84.2	161.4	0	0	0	106.8	H15 R339 H343	H15-L341 HydrophobicContact CB-CD1 4.31Å; H15-L341 HydrophobicContact CB-CD2 4.39Å; H15-L341 HydrophobicContact CB-CG 4.36Å; R339-L341 PolarHBondContact O-N 3.16Å; L341-H343 PolarHBondContact O-N 2.89Å
342	L	24	Very low	27.7	Very low	98 Å²	98	100.1 Å²	100.1	51%	0.513	53%	0.528	S	S	.	.			trans	-69.7	73.6	150.3	-109.3	139.3	0	0	0	105.3	F340 C344	F340-L342 PolarHBondContact O-N 2.79Å; L342-C344 PolarHBondContact O-N 3.09Å
343	H	23.7	Very low	26.6	Very low	110 Å²	110	104.4 Å²	104.4	51%	0.509	56%	0.564	S	S	.	*			trans	-58	90.3	142.1	-86.1	-10.4	0	0	0	105.2	G13 L341 K345	G13-H343 PolarHBondContact O-CE1 2.79Å; G13-H343 PolarHBondContact O-NE2 3.38Å; L341-H343 PolarHBondContact O-N 2.89Å; H343-K345 PolarHBondContact O-N 3.4Å
344	C	23.1	Very low	25.6	Very low	68 Å²	68	114.6 Å²	114.6	46%	0.459	60%	0.601	S	S	.	*			trans	-56.1	72	137.1	-95.8	0	0	0	0	107	L342 I346	L342-C344 PolarHBondContact O-N 3.09Å; C344-I346 HydrophobicContact CB-CD1 4.4Å; C344-I346 HydrophobicContact CB-CG1 4.05Å; C344-I346 PolarHBondContact O-N 3.14Å
345	K	21.7	Very low	25.2	Very low	157 Å²	157	115.1 Å²	115.1	68%	0.683	60%	0.599	S	S	*	*				-62.7	75.3	129.2	-78.6	-171.2	177.4	-179.5	0	105	H343 F347	H343-K345 PolarHBondContact O-N 3.4Å; K345-F347 HydrophobicContact CB-CD2 4.33Å; K345-F347 HydrophobicContact CD-CD2 4.4Å; K345-F347 HydrophobicContact CD-CE2 4.2Å; K345-F347 PolarHBondContact O-N 3.2Å
346	I	25.6	Very low	24.7	Very low	123 Å²	123	117.5 Å²	117.5	63%	0.631	61%	0.611	S	S	*	*			trans	-58.7	85.5	135.8	-63	170.9	0	0	0	102.1	C344 L348	C344-I346 HydrophobicContact CB-CD1 4.4Å; C344-I346 HydrophobicContact CB-CG1 4.05Å; C344-I346 PolarHBondContact O-N 3.14Å; I346-L348 HydrophobicContact CG2-CG 4.29Å; I346-L348 PolarHBondContact O-N 2.94Å
347	F	23.8	Very low	24.4	Very low	163 Å²	163	123.1 Å²	123.1	72%	0.715	64%	0.636	S	S	*	*			trans	-51.2	100.1	143	-104.6	-87.8	0	0	0	103.2	K345 A349	K345-F347 HydrophobicContact CB-CD2 4.33Å; K345-F347 HydrophobicContact CD-CD2 4.4Å; K345-F347 HydrophobicContact CD-CE2 4.2Å; K345-F347 PolarHBondContact O-N 3.2Å; F347-A349 HydrophobicContact CB-CB 4.2Å; F347-A349 PolarHBondContact O-N 2.61Å
348	L	23.3	Very low	23.9	Very low	152 Å²	152	127.8 Å²	127.8	80%	0.796	66%	0.66	S	S	*	*			trans	-54.4	65.5	146.5	-91.5	145.3	0	0	0	106.9	I346 N350	I346-L348 HydrophobicContact CG2-CG 4.29Å; I346-L348 PolarHBondContact O-N 2.94Å; L348-N350 PolarHBondContact O-N 3.41Å
349	A	22.4	Very low	24.1	Very low	72 Å²	72	129.1 Å²	129.1	60%	0.595	67%	0.673	S	S	*	*			trans	-90.6	57.1	162.8	0	0	0	0	0	106.3	F347	F347-A349 HydrophobicContact CB-CB 4.2Å; F347-A349 PolarHBondContact O-N 2.61Å
350	N	23.1	Very low	23.8	Very low	131 Å²	131	132.9 Å²	132.9	70%	0.701	70%	0.698	S	S	*	*	S	Bend	trans	-153.7	95.2	157.4	-95.2	-35.3	0	0	0	109.3	L348	L348-N350 PolarHBondContact O-N 3.41Å
351	K	24.8	Very low	23.4	Very low	186 Å²	186	131.5 Å²	131.5	81%	0.809	71%	0.705	S	S	*	*			trans	64.7	105.6	144	-63.2	-179.3	177.6	179.1	0	118.5
352	V	22.8	Very low	23.2	Very low	147 Å²	147	136.5 Å²	136.5	89%	0.891	73%	0.727	S	S	*	*				23.5	109.2	116.2	-174.8	0	0	0	0	115.6
353	A	24.3	Very low	23	Very low	96 Å²	96	138.9 Å²	138.9	79%	0.793	74%	0.737	S	S	*	*				177.8	141.3	114.3	0	0	0	0	0	113.1
354	R	21.6	Very low	22.8	Very low	247 Å²	247	142.5 Å²	142.5	93%	0.932	75%	0.752	S	S	*	*			trans	-50.7	147.2	178.2	-58.9	164.4	-175.4	167.9	0.9	115
355	A	23.6	Very low	22.7	Very low	84 Å²	84	149.1 Å²	149.1	69%	0.694	77%	0.773	S	S	*	*				153.5	123.4	95.5	0	0	0	0	0	113.7
356	N	22.2	Very low	22.7	Very low	152 Å²	152	145 Å²	145	81%	0.813	78%	0.776	S	S	*	*			trans	49.6	109	141.2	-60.2	-10.4	0	0	0	122.1
357	Q	26.2	Very low	22.6	Very low	202 Å²	202	148.9 Å²	148.9	94%	0.944	78%	0.782	S	S	*	*				-175.1	127.7	114.4	-99.5	166.9	-4.5	0	0	111.5
358	L	19.4	Very low	22.6	Very low	168 Å²	168	146.6 Å²	146.6	88%	0.88	78%	0.777	S	S	*	*			trans	-88.6	-177.4	172	-101.5	102.7	0	0	0	110.4
359	P	32.9	Very low	22.9	Very low	98 Å²	98	144.1 Å²	144.1	64%	0.636	77%	0.769	S	S	*	*				-138	-176	-53.9	40	-21.2	0	0	0	112.4
360	I	20.5	Very low	23.2	Very low	164 Å²	164	143.7 Å²	143.7	84%	0.841	76%	0.761	S	S	*	*			trans	166.2	139.2	139.5	-85.8	158.9	0	0	0	112.8
361	A	19	Very low	23.5	Very low	74 Å²	74	144.8 Å²	144.8	61%	0.612	76%	0.761	S	S	*	*			trans	72.9	106.8	154.8	0	0	0	0	0	119.6
362	Q	20.4	Very low	23.8	Very low	174 Å²	174	143 Å²	143	81%	0.813	76%	0.756	S	S	*	*				74	112.1	92.4	-78.5	-177.9	-10.9	0	0	113.4
363	M	18.7	Very low	24.1	Very low	149 Å²	149	144.5 Å²	144.5	73%	0.734	76%	0.755	S	S	*	*				167.3	140.7	99	-114	172.3	-162.9	0	0	113
364	F	19.7	Very low	24.3	Very low	185 Å²	185	148.4 Å²	148.4	81%	0.811	76%	0.759	S	S	*	*			trans	73	92	164.9	-68.2	-74.6	0	0	0	120.6
365	F	20.9	Very low	24.6	Very low	207 Å²	207	145.3 Å²	145.3	91%	0.908	75%	0.753	S	S	*	*			trans	-66.8	124.8	143.8	-84.7	-95.2	0	0	0	109.9
366	G	21.7	Very low	24.8	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	76%	0.759	S	S	*	*			trans	-127	72.4	165.9	0	0	0	0	0	110.3	N368	G366-N368 PolarHBondContact O-N 3.02Å
367	R	23.5	Very low	25	Very low	204 Å²	204	150.5 Å²	150.5	77%	0.77	76%	0.763	S	S	*	*			trans	-70.3	110.6	156.4	-88.5	-173.1	-176.4	-169.9	1.8	106.5
368	N	24.4	Very low	25.1	Very low	114 Å²	114	150.1 Å²	150.1	61%	0.61	76%	0.761	S	S	*	*			trans	-150	84.8	164.2	-90	-17.9	0	0	0	109.7	G366 Q372	G366-N368 PolarHBondContact O-N 3.02Å; N368-Q372 PolarHBondContact OD1-NE2 3.14Å; N368-Q372 PolarHBondContact OD1-OE1 2.92Å; N368-Q372 VanDerWaalsContact OD1-OE1 3.08Å
369	T	28.5	Very low	25.8	Very low	101 Å²	101	153.9 Å²	153.9	62%	0.62	78%	0.779	S	S	*	*	S	Bend	trans	-146.2	118.9	165.8	34.9	0	0	0	0	108.3	E371	T369-E371 VanDerWaalsContact C-N 3.26Å; T369-E371 PolarHBondContact O-N 3.33Å
370	C	28.8	Very low	25.4	Very low	62 Å²	62	156.7 Å²	156.7	42%	0.419	79%	0.787	S	S	.	*	S	Bend	trans	55.6	-26.6	173.5	-83.9	0	0	0	0	121.1	Q372	C370-Q372 PolarHBondContact O-N 3.06Å
371	E	30.3	Very low	25.7	Very low	154 Å²	154	156.3 Å²	156.3	72%	0.72	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-8.9	-172.2	-77.3	-173.8	155.3	0	0	115.6	T369	T369-E371 VanDerWaalsContact C-N 3.26Å; T369-E371 PolarHBondContact O-N 3.33Å
372	Q	29.7	Very low	26.1	Very low	149 Å²	149	160.8 Å²	160.8	70%	0.696	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-6.3	-176.7	-76	-168.1	-0.3	0	0	115.8	N368 C370	N368-Q372 PolarHBondContact OD1-NE2 3.14Å; N368-Q372 PolarHBondContact OD1-OE1 2.92Å; N368-Q372 VanDerWaalsContact OD1-OE1 3.08Å; C370-Q372 PolarHBondContact O-N 3.06Å
373	M	29.1	Very low	26.4	Very low	178 Å²	178	160.1 Å²	160.1	88%	0.877	79%	0.792	S	S	*	*	S	Bend	trans	-93.4	-2.1	177	-73.9	-175.8	100.1	0	0	115
374	M	30	Very low	26.9	Very low	178 Å²	178	160.8 Å²	160.8	88%	0.877	80%	0.796	S	S	*	*	S	Bend	trans	-104.6	22.2	177.1	-73	-152	-72.6	0	0	114.9
375	K	27.5	Very low	27.4	Very low	183 Å²	183	159.1 Å²	159.1	80%	0.796	80%	0.795	S	S	*	*	S	Bend	trans	-125.7	22.9	177.8	-93	-169.8	177.3	-176.3	0	116
376	H	28	Very low	27.8	Very low	178 Å²	178	155.7 Å²	155.7	82%	0.824	79%	0.787	S	S	*	*	S	Bend	trans	-128.1	73.2	167.1	-93.5	29.7	0	0	0	109.4
377	N	26.9	Very low	28.3	Very low	167 Å²	167	162.2 Å²	162.2	89%	0.893	79%	0.79	S	S	*	*			trans	-166.7	57.8	159.6	-93.6	-19.4	0	0	0	108.9
378	E	26.5	Very low	28.7	Very low	193 Å²	193	158.7 Å²	158.7	90%	0.902	79%	0.792	S	S	*	*			trans	-150.8	84.6	160.3	-78.7	-166.9	160.5	0	0	108.1
379	I	34.8	Very low	29.1	Very low	247 Å²	247	162.7 Å²	162.7	100%	1.267	81%	0.808	S	S	*	*			trans	-144	0	142.9	-60.7	-173.5	0	0	0	107

Retrieved 379 of 379 residues in 217.8 ms (Link to these results)

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