A0A060XBV2_ONCMY Loading...

Uncharacterized protein

Guanine nucleotide-binding proteins (G proteins) are involved as a modulator or transducer in various transmembrane signaling systems. The beta and gamma chains are required for the GTPase activity, for replacement of GDP by GTP, and for G protein-effector interaction.

AlphaFold DB , UniProt , Accession A0A060XBV2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 340 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	65.7	Low	93.1	Very high	146 Å²	146	108.4 Å²	108.4	72%	0.719	53%	0.533	S	S	*	.				0	123	0	-158.1	-176.2	-64.4	0	0	106.1	E5 Q6	M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 3.61Å; M1-E5 VanDerWaalsContact CG-OE2 3.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; M1-E5 HydrophobicContact SD-CB 4.44Å; M1-Q6 HydrophobicContact CB-CG 4.35Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 3.68Å
2	S	91.7	Very high	93.4	Very high	67 Å²	67	105.8 Å²	105.8	47%	0.469	52%	0.519	S	S	.	.			trans	-64.1	150.6	177.2	177.1	0	0	0	0	110	L4 E5 Q6	S2-L4 PolarHBondContact O-N 2.76Å; S2-L4 PolarHBondContact OG-N 3.37Å; S2-E5 PolarHBondContact N-OE2 3.27Å; S2-E5 WeakPolarHBondContact O-CB 3.37Å; S2-E5 PolarHBondContact O-N 2.62Å; S2-Q6 PolarHBondContact O-N 3.29Å; S2-Q6 VanDerWaalsContact O-N 3.09Å
3	E	95.4	Very high	93.8	Very high	149 Å²	149	106.3 Å²	106.3	70%	0.696	52%	0.519	S	S	*	.	H	α-helix	trans	-52	-37.8	173.1	-176.3	179.7	176.1	0	0	111.3	E5 Q6 L7	E3-E5 PolarHBondContact O-N 3.47Å; E3-Q6 PolarHBondContact O-N 3.31Å; E3-L7 HydrophobicContact CG-CD1 4.44Å; E3-L7 WeakPolarHBondContact O-CG 3.38Å; E3-L7 PolarHBondContact O-N 2.78Å
4	L	95.6	Very high	94.1	Very high	93 Å²	93	104.7 Å²	104.7	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-38.4	175.4	-179.2	63.5	0	0	0	113.2	S2 R8	S2-L4 PolarHBondContact O-N 2.76Å; S2-L4 PolarHBondContact OG-N 3.37Å; L4-R8 WeakPolarHBondContact O-CB 3.37Å; L4-R8 VanDerWaalsContact O-CG 3.27Å; L4-R8 WeakPolarHBondContact O-CG 3.41Å; L4-R8 PolarHBondContact O-N 3.44Å
5	E	95.6	Very high	94.2	Very high	104 Å²	104	107.9 Å²	107.9	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-69.7	-38.5	178.5	-72.4	170.8	165.2	0	0	110.8	M1 S2 E3 R8 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.39Å; M1-E5 HydrophobicContact CG-CB 3.61Å; M1-E5 VanDerWaalsContact CG-OE2 3.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; M1-E5 HydrophobicContact SD-CB 4.44Å; S2-E5 PolarHBondContact N-OE2 3.27Å; S2-E5 WeakPolarHBondContact O-CB 3.37Å; S2-E5 PolarHBondContact O-N 2.62Å; E3-E5 PolarHBondContact O-N 3.47Å; E5-R8 PolarHBondContact O-N 3.07Å; E5-Q9 WeakPolarHBondContact O-CB 3.34Å; E5-Q9 PolarHBondContact O-N 2.82Å
6	Q	96.3	Very high	94.4	Very high	108 Å²	108	104.7 Å²	104.7	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-49.7	175.4	-68.5	176.3	-14.1	0	0	111.1	M1 S2 E3 R8 Q9 E10	M1-Q6 HydrophobicContact CB-CG 4.35Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 3.68Å; S2-Q6 PolarHBondContact O-N 3.29Å; S2-Q6 VanDerWaalsContact O-N 3.09Å; E3-Q6 PolarHBondContact O-N 3.31Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 2.92Å; Q6-Q9 PolarHBondContact O-N 2.88Å; Q6-E10 WeakPolarHBondContact O-CB 3.44Å; Q6-E10 PolarHBondContact O-N 3.14Å
7	L	97.4	Very high	94.6	Very high	95 Å²	95	104.6 Å²	104.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-37.9	178	-70.3	172.4	0	0	0	112.5	E3 A11	E3-L7 HydrophobicContact CG-CD1 4.44Å; E3-L7 WeakPolarHBondContact O-CG 3.38Å; E3-L7 PolarHBondContact O-N 2.78Å; L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 2.52Å
8	R	95.9	Very high	94.8	Very high	168 Å²	168	103.2 Å²	103.2	63%	0.634	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-43.1	174.7	-78.4	175.7	178.5	-176.9	-0.3	111.9	L4 E5 Q6 A11 E12	L4-R8 WeakPolarHBondContact O-CB 3.37Å; L4-R8 VanDerWaalsContact O-CG 3.27Å; L4-R8 WeakPolarHBondContact O-CG 3.41Å; L4-R8 PolarHBondContact O-N 3.44Å; E5-R8 PolarHBondContact O-N 3.07Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 2.92Å; R8-A11 PolarHBondContact O-N 3.13Å; R8-E12 PolarHBondContact O-N 3.16Å; R8-E12 VanDerWaalsContact O-N 3.09Å
9	Q	96.6	Very high	94.9	Very high	117 Å²	117	105.5 Å²	105.5	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-41.9	178.5	-172.6	175.2	4.3	0	0	111.3	E5 Q6 E12 Q13	E5-Q9 WeakPolarHBondContact O-CB 3.34Å; E5-Q9 PolarHBondContact O-N 2.82Å; Q6-Q9 PolarHBondContact O-N 2.88Å; Q9-E12 PolarHBondContact O-N 3.3Å; Q9-Q13 WeakPolarHBondContact O-CB 3.28Å; Q9-Q13 PolarHBondContact O-N 3Å
10	E	97.8	Very high	95	Very high	104 Å²	104	105.4 Å²	105.4	49%	0.486	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-46.6	175.3	-175.8	178.1	-175.9	0	0	111.5	Q6 E12 Q13 L14	Q6-E10 WeakPolarHBondContact O-CB 3.44Å; Q6-E10 PolarHBondContact O-N 3.14Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.33Å; E10-Q13 WeakPolarHBondContact O-CB 3.33Å; E10-Q13 PolarHBondContact O-N 3Å; E10-L14 HydrophobicContact CG-CD1 4.25Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 3.23Å
11	A	96.3	Very high	95.1	Very high	41 Å²	41	103.1 Å²	103.1	34%	0.339	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-42.2	177.1	0	0	0	0	0	112.3	L7 R8 L14 R15	L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 2.52Å; R8-A11 PolarHBondContact O-N 3.13Å; A11-L14 PolarHBondContact O-N 3.12Å; A11-R15 WeakPolarHBondContact O-CG 3.44Å; A11-R15 PolarHBondContact O-N 3.2Å
12	E	96.7	Very high	96.7	Very high	78 Å²	78	98 Å²	98	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-69	-36.7	177.5	-166.8	57.7	-156	0	0	112.1	R8 Q9 E10 R15 N16	R8-E12 PolarHBondContact O-N 3.16Å; R8-E12 VanDerWaalsContact O-N 3.09Å; Q9-E12 PolarHBondContact O-N 3.3Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.33Å; E12-R15 PolarHBondContact O-N 3.04Å; E12-R15 IonicContact OE2-NH1 3.33Å; E12-R15 PolarHBondContact OE2-NH1 3.23Å; E12-N16 PolarHBondContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.28Å
13	Q	98.1	Very high	96.8	Very high	112 Å²	112	102.7 Å²	102.7	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-45.4	173.9	-174.2	175.9	1.3	0	0	111.6	Q9 E10 R15 N16 Q17	Q9-Q13 WeakPolarHBondContact O-CB 3.28Å; Q9-Q13 PolarHBondContact O-N 3Å; E10-Q13 WeakPolarHBondContact O-CB 3.33Å; E10-Q13 PolarHBondContact O-N 3Å; Q13-R15 PolarHBondContact O-N 3Å; Q13-N16 PolarHBondContact O-N 3.19Å; Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.38Å
14	L	98.2	Very high	96.9	Very high	84 Å²	84	99.7 Å²	99.7	44%	0.44	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-40.8	176.3	-71	171	0	0	0	111.8	E10 A11 N16 Q17 I18	E10-L14 HydrophobicContact CG-CD1 4.25Å; E10-L14 WeakPolarHBondContact O-CG 3.44Å; E10-L14 PolarHBondContact O-N 3.23Å; A11-L14 PolarHBondContact O-N 3.12Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.19Å; L14-Q17 PolarHBondContact O-N 2.89Å; L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.41Å
15	R	96.1	Very high	96.9	Very high	152 Å²	152	99.3 Å²	99.3	57%	0.574	49%	0.492	S	S	*	.	H	α-helix	trans	-60.3	-42.7	174.1	-75	173.4	-175.6	157.6	-2.3	112.4	A11 E12 Q13 I18 R19	A11-R15 WeakPolarHBondContact O-CG 3.44Å; A11-R15 PolarHBondContact O-N 3.2Å; E12-R15 PolarHBondContact O-N 3.04Å; E12-R15 IonicContact OE2-NH1 3.33Å; E12-R15 PolarHBondContact OE2-NH1 3.23Å; Q13-R15 PolarHBondContact O-N 3Å; R15-I18 PolarHBondContact O-N 2.96Å; R15-R19 WeakPolarHBondContact O-CB 3.48Å; R15-R19 PolarHBondContact O-N 3.33Å
16	N	97.1	Very high	96.7	Very high	57 Å²	57	96.7 Å²	96.7	31%	0.305	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-41.4	177.1	-71.7	-39.2	0	0	0	111.5	E12 Q13 L14 I18 R19 D20	E12-N16 PolarHBondContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.28Å; Q13-N16 PolarHBondContact O-N 3.19Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.19Å; N16-I18 VanDerWaalsContact C-N 3.34Å; N16-I18 PolarHBondContact O-N 3.21Å; N16-R19 WeakPolarHBondContact O-CB 3.43Å; N16-R19 PolarHBondContact O-N 3.47Å; N16-R19 PolarHBondContact OD1-NH1 2.88Å; N16-D20 WeakPolarHBondContact O-CB 3.37Å; N16-D20 VanDerWaalsContact O-CG 3.32Å; N16-D20 PolarHBondContact O-N 3.4Å
17	Q	98.2	Very high	96.6	Very high	103 Å²	103	98.9 Å²	98.9	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-59.2	-43.8	173.9	-71.2	173.8	6.3	0	0	112.3	Q13 L14 D20 A21	Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.38Å; L14-Q17 PolarHBondContact O-N 2.89Å; Q17-D20 PolarHBondContact O-N 3.19Å; Q17-A21 WeakPolarHBondContact O-CB 3.49Å; Q17-A21 PolarHBondContact O-N 3.2Å
18	I	97.7	Very high	96.5	Very high	80 Å²	80	96.8 Å²	96.8	41%	0.41	50%	0.501	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.2	-67.8	165.1	0	0	0	110.6	L14 R15 N16 D20 A21 R22	L14-I18 WeakPolarHBondContact O-CG1 3.5Å; L14-I18 PolarHBondContact O-N 3.41Å; R15-I18 PolarHBondContact O-N 2.96Å; N16-I18 VanDerWaalsContact C-N 3.34Å; N16-I18 PolarHBondContact O-N 3.21Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.92Å; I18-A21 PolarHBondContact O-N 2.93Å; I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.37Å
19	R	96.3	Very high	96.5	Very high	147 Å²	147	91.8 Å²	91.8	56%	0.555	49%	0.489	S	S	*	.	H	α-helix	trans	-59.9	-44.9	177.4	-174.1	-174.1	-65.5	145	1.8	111.4	R15 N16 R22 K23	R15-R19 WeakPolarHBondContact O-CB 3.48Å; R15-R19 PolarHBondContact O-N 3.33Å; N16-R19 WeakPolarHBondContact O-CB 3.43Å; N16-R19 PolarHBondContact O-N 3.47Å; N16-R19 PolarHBondContact OD1-NH1 2.88Å; R19-R22 PolarHBondContact O-N 3.46Å; R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 3.25Å
20	D	97.6	Very high	96.4	Very high	102 Å²	102	87.6 Å²	87.6	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-67	-39.7	179	-69.5	-22	0	0	0	111.5	N16 Q17 I18 K23 A24	N16-D20 WeakPolarHBondContact O-CB 3.37Å; N16-D20 VanDerWaalsContact O-CG 3.32Å; N16-D20 PolarHBondContact O-N 3.4Å; Q17-D20 PolarHBondContact O-N 3.19Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.92Å; D20-K23 PolarHBondContact O-N 3.01Å; D20-A24 WeakPolarHBondContact O-CB 3.28Å; D20-A24 PolarHBondContact O-N 3.45Å
21	A	98.1	Very high	96.1	Very high	58 Å²	58	85.9 Å²	85.9	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175	0	0	0	0	0	112.3	Q17 I18 A24 C25	Q17-A21 WeakPolarHBondContact O-CB 3.49Å; Q17-A21 PolarHBondContact O-N 3.2Å; I18-A21 PolarHBondContact O-N 2.93Å; A21-A24 PolarHBondContact O-N 3.42Å; A21-C25 PolarHBondContact O-N 3.07Å; A21-C25 PolarHBondContact O-SG 2.93Å
22	R	97.3	Very high	96	Very high	39 Å²	39	89.8 Å²	89.8	15%	0.147	48%	0.478	C	S	.	.	H	α-helix	trans	-60.6	-46.5	174.9	-73.7	173.5	179.7	176.7	-6.8	111.4	I18 R19 A24 C25 G26 T221 T223 D258 Q259	I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.37Å; R19-R22 PolarHBondContact O-N 3.46Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.49Å; R22-C25 PolarHBondContact O-N 3.38Å; R22-C25 VanDerWaalsContact O-N 3.07Å; R22-G26 PolarHBondContact O-N 2.96Å; R22-T221 PolarHBondContact NH2-O 3.28Å; R22-T223 PolarHBondContact NH1-OG1 3.47Å; R22-D258 WeakPolarHBondContact CD-O 3.48Å; R22-D258 VanDerWaalsContact CZ-O 3.26Å; R22-D258 IonicContact CZ-OD2 2.81Å; R22-D258 PolarHBondContact NE-O 2.91Å; R22-D258 IonicContact NE-OD2 3.52Å; R22-D258 PolarHBondContact NE-OD2 2.86Å; R22-D258 PolarHBondContact NH2-O 3Å; R22-D258 IonicContact NH2-OD1 3.82Å; R22-D258 PolarHBondContact NH2-OD1 2.84Å; R22-D258 IonicContact NH2-OD2 3.4Å; R22-D258 PolarHBondContact NH2-OD2 2.88Å; R22-Q259 PolarHBondContact O-NE2 2.97Å; R22-Q259 PolarHBondContact O-OE1 2.96Å
23	K	95.4	Very high	96	Very high	165 Å²	165	92 Å²	92	72%	0.717	49%	0.491	S	S	*	.	H	α-helix	trans	-61.6	-37.6	177.4	-172.5	176.8	-180	-179.5	0	112.4	R19 D20 C25 G26	R19-K23 WeakPolarHBondContact O-CB 3.43Å; R19-K23 PolarHBondContact O-N 3.25Å; D20-K23 PolarHBondContact O-N 3.01Å; K23-C25 PolarHBondContact O-N 3.18Å; K23-G26 PolarHBondContact O-N 3.03Å
24	A	96.9	Very high	95.9	Very high	87 Å²	87	87.1 Å²	87.1	72%	0.719	47%	0.469	S	S	*	.	H	α-helix	trans	-64.4	-28.2	176.1	0	0	0	0	0	112.8	D20 A21 R22	D20-A24 WeakPolarHBondContact O-CB 3.28Å; D20-A24 PolarHBondContact O-N 3.45Å; A21-A24 PolarHBondContact O-N 3.42Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.49Å
25	C	96	Very high	95.7	Very high	85 Å²	85	86.6 Å²	86.6	57%	0.574	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.7	175.7	-63.5	0	0	0	0	114	A21 R22 K23 D27	A21-C25 PolarHBondContact O-N 3.07Å; A21-C25 PolarHBondContact O-SG 2.93Å; R22-C25 PolarHBondContact O-N 3.38Å; R22-C25 VanDerWaalsContact O-N 3.07Å; K23-C25 PolarHBondContact O-N 3.18Å; C25-D27 VanDerWaalsContact C-N 3.34Å; C25-D27 PolarHBondContact O-N 3.45Å; C25-D27 VanDerWaalsContact O-N 3.09Å
26	G	91.3	Very high	95.7	Very high	48 Å²	48	83 Å²	83	50%	0.495	49%	0.487	S	S	.	.			trans	-83.2	70.1	-178.9	0	0	0	0	0	112.7	R22 K23	R22-G26 PolarHBondContact O-N 2.96Å; K23-G26 PolarHBondContact O-N 3.03Å
27	D	94.6	Very high	95.6	Very high	155 Å²	155	84 Å²	84	83%	0.829	49%	0.492	S	S	*	.			trans	-79.7	-30	-175.5	63.5	-20.1	0	0	0	114.4	C25	C25-D27 VanDerWaalsContact C-N 3.34Å; C25-D27 PolarHBondContact O-N 3.45Å; C25-D27 VanDerWaalsContact O-N 3.09Å
28	S	94.8	Very high	95.5	Very high	51 Å²	51	85.5 Å²	85.5	36%	0.357	50%	0.503	S	S	.	.			trans	-150.4	166.3	-179.7	-175.6	0	0	0	0	111.2	Q32	S28-Q32 PolarHBondContact OG-OE1 2.88Å
29	T	94.6	Very high	95.4	Very high	62 Å²	62	85.7 Å²	85.7	38%	0.38	51%	0.51	S	S	.	.			trans	-99.9	157.6	168.1	69.1	0	0	0	0	111.5	T31 Q32 I33	T29-T31 VanDerWaalsContact C-N 3.26Å; T29-T31 PolarHBondContact O-N 2.82Å; T29-T31 PolarHBondContact OG1-OG1 2.76Å; T29-Q32 VanDerWaalsContact N-OE1 3.14Å; T29-Q32 PolarHBondContact O-N 2.85Å; T29-Q32 VanDerWaalsContact OG1-CG 3.3Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.33Å; T29-Q32 PolarHBondContact OG1-N 3.01Å; T29-I33 WeakPolarHBondContact O-CG1 3.34Å; T29-I33 PolarHBondContact O-N 3.48Å
30	L	95.4	Very high	95.4	Very high	30 Å²	30	81.3 Å²	81.3	16%	0.157	50%	0.5	C	S	.	.	H	α-helix	trans	-58.6	-41	174.8	-177	61.4	0	0	0	111.3	Q32 I33 T34 L252 L261 S262 A299	L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 3.44Å; L30-I33 PolarHBondContact O-N 2.95Å; L30-I33 VanDerWaalsContact O-N 3.12Å; L30-T34 HydrophobicContact CD1-CG2 3.78Å; L30-T34 HydrophobicContact CG-CG2 4.09Å; L30-T34 WeakPolarHBondContact O-CB 3.36Å; L30-T34 WeakPolarHBondContact O-CG2 3.41Å; L30-T34 PolarHBondContact O-N 3.37Å; L30-T34 PolarHBondContact O-OG1 2.88Å; L30-L252 HydrophobicContact CD2-CD2 4.03Å; L30-L261 WeakPolarHBondContact CB-O 3.15Å; L30-S262 VanDerWaalsContact CB-OG 3.29Å; L30-S262 WeakPolarHBondContact CB-OG 3.11Å; L30-S262 VanDerWaalsContact CD2-OG 3.29Å; L30-S262 WeakPolarHBondContact CD2-OG 3.22Å; L30-A299 WeakPolarHBondContact CD2-O 3.41Å
31	T	92	Very high	95.3	Very high	67 Å²	67	78.5 Å²	78.5	41%	0.411	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-33.2	179	50.6	0	0	0	0	113.5	T29 T34 A35	T29-T31 VanDerWaalsContact C-N 3.26Å; T29-T31 PolarHBondContact O-N 2.82Å; T29-T31 PolarHBondContact OG1-OG1 2.76Å; T31-T34 WeakPolarHBondContact CA-OG1 3.31Å; T31-T34 PolarHBondContact O-OG1 3.49Å; T31-A35 PolarHBondContact O-N 3.36Å
32	Q	94.4	Very high	95.3	Very high	124 Å²	124	85.6 Å²	85.6	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-70.8	-43	173.5	-73.8	168.7	-15.7	0	0	111.3	S28 T29 L30 T34 A35	S28-Q32 PolarHBondContact OG-OE1 2.88Å; T29-Q32 VanDerWaalsContact N-OE1 3.14Å; T29-Q32 PolarHBondContact O-N 2.85Å; T29-Q32 VanDerWaalsContact OG1-CG 3.3Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.33Å; T29-Q32 PolarHBondContact OG1-N 3.01Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 3.44Å; Q32-T34 VanDerWaalsContact C-N 3.3Å; Q32-T34 PolarHBondContact O-N 2.9Å; Q32-A35 WeakPolarHBondContact O-CB 3.48Å; Q32-A35 PolarHBondContact O-N 3.2Å
33	I	96.6	Very high	95.3	Very high	123 Å²	123	85.3 Å²	85.3	63%	0.631	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-36.4	179.5	-63.9	168.9	0	0	0	111	T29 L30	T29-I33 WeakPolarHBondContact O-CG1 3.34Å; T29-I33 PolarHBondContact O-N 3.48Å; L30-I33 PolarHBondContact O-N 2.95Å; L30-I33 VanDerWaalsContact O-N 3.12Å
34	T	96.4	Very high	95.4	Very high	10 Å²	10	83.5 Å²	83.5	6%	0.061	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.2	-176.3	61.1	0	0	0	0	113.5	L30 T31 Q32 G36 L37 M300	L30-T34 HydrophobicContact CD1-CG2 3.78Å; L30-T34 HydrophobicContact CG-CG2 4.09Å; L30-T34 WeakPolarHBondContact O-CB 3.36Å; L30-T34 WeakPolarHBondContact O-CG2 3.41Å; L30-T34 PolarHBondContact O-N 3.37Å; L30-T34 PolarHBondContact O-OG1 2.88Å; T31-T34 WeakPolarHBondContact CA-OG1 3.31Å; T31-T34 PolarHBondContact O-OG1 3.49Å; Q32-T34 VanDerWaalsContact C-N 3.3Å; Q32-T34 PolarHBondContact O-N 2.9Å; T34-G36 PolarHBondContact O-N 3.4Å; T34-G36 VanDerWaalsContact O-N 3.1Å; T34-L37 HydrophobicContact CG2-CD1 3.9Å; T34-L37 WeakPolarHBondContact O-CB 3.45Å; T34-L37 PolarHBondContact O-N 3.31Å; T34-M300 WeakPolarHBondContact CB-O 3.29Å; T34-M300 HydrophobicContact CG2-CB 3.89Å; T34-M300 HydrophobicContact CG2-CG 4.49Å; T34-M300 HydrophobicContact CG2-SD 4.17Å; T34-M300 PolarHBondContact OG1-O 3.12Å
35	A	93.8	Very high	95.4	Very high	73 Å²	73	81.6 Å²	81.6	60%	0.603	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.3	-176.8	0	0	0	0	0	113.3	T31 Q32	T31-A35 PolarHBondContact O-N 3.36Å; Q32-A35 WeakPolarHBondContact O-CB 3.48Å; Q32-A35 PolarHBondContact O-N 3.2Å
36	G	95.3	Very high	95.5	Very high	77 Å²	77	85.4 Å²	85.4	79%	0.794	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.7	177.4	0	0	0	0	0	115.6	T34	T34-G36 PolarHBondContact O-N 3.4Å; T34-G36 VanDerWaalsContact O-N 3.1Å
37	L	95.8	Very high	95.9	Very high	77 Å²	77	85.7 Å²	85.7	40%	0.403	48%	0.475	S	S	.	.	S	Bend	trans	-77.2	144	177.3	-68.4	179	0	0	0	110.8	T34 M300 K301	T34-L37 HydrophobicContact CG2-CD1 3.9Å; T34-L37 WeakPolarHBondContact O-CB 3.45Å; T34-L37 PolarHBondContact O-N 3.31Å; L37-M300 HydrophobicContact CD1-CB 4.06Å; L37-M300 HydrophobicContact CD1-CG 4.22Å; L37-K301 WeakPolarHBondContact O-CE 3.41Å; L37-K301 PolarHBondContact O-NZ 3.09Å
38	D	95.9	Very high	96.1	Very high	135 Å²	135	83.9 Å²	83.9	72%	0.722	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-69.2	140.8	170.7	-68.1	-44.1	0	0	0	110.9	R283	D38-R283 PolarHBondContact O-NH2 2.9Å
39	P	95.3	Very high	96.2	Very high	85 Å²	85	86.6 Å²	86.6	55%	0.552	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-59.4	147.2	171.2	-16.5	28.4	0	0	0	111.2	G41 K301	P39-G41 PolarHBondContact O-N 3.28Å; P39-G41 VanDerWaalsContact O-N 3.09Å; P39-K301 HydrophobicContact CB-CD 4.47Å
40	V	96.1	Very high	96.4	Very high	55 Å²	55	85 Å²	85	33%	0.333	45%	0.449	S	S	.	.			trans	-63.4	-13.3	173.5	-68.8	0	0	0	0	114.1	I43 R283 L284 D298 A305	V40-I43 HydrophobicContact CG2-CD1 4.22Å; V40-R283 HydrophobicContact CG1-CG 3.56Å; V40-L284 HydrophobicContact CG1-CD2 4.22Å; V40-L284 HydrophobicContact CG2-CD2 4.33Å; V40-D298 HydrophobicContact CG2-CB 4.11Å; V40-A305 HydrophobicContact CG2-CB 3.5Å; V40-A305 VanDerWaalsContact CG2-CB 3.5Å
41	G	95.8	Very high	96.6	Very high	42 Å²	42	83.7 Å²	83.7	43%	0.433	44%	0.442	S	S	.	.			trans	76.3	-178.6	-172.2	0	0	0	0	0	112.5	P39 I43	P39-G41 PolarHBondContact O-N 3.28Å; P39-G41 VanDerWaalsContact O-N 3.09Å; G41-I43 PolarHBondContact O-N 2.97Å
42	R	97	Very high	96.9	Very high	208 Å²	208	87.9 Å²	87.9	79%	0.785	45%	0.451	S	S	*	.			trans	-76.6	117.3	-178.6	-174.2	177.5	178.6	-178.8	3.7	110.5	Q44 A305	R42-Q44 HydrophobicContact CG-CG 4.25Å; R42-A305 WeakPolarHBondContact CA-O 3.46Å
43	I	97.7	Very high	97	Very high	33 Å²	33	83.2 Å²	83.2	17%	0.169	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-87.1	122.7	177.8	-61.5	180	0	0	0	109.4	V40 G41 M45 L284 I296 A305	V40-I43 HydrophobicContact CG2-CD1 4.22Å; G41-I43 PolarHBondContact O-N 2.97Å; I43-M45 HydrophobicContact CG2-CG 3.9Å; I43-L284 HydrophobicContact CD1-CD1 3.51Å; I43-L284 HydrophobicContact CD1-CD2 3.32Å; I43-L284 HydrophobicContact CD1-CG 4.05Å; I43-I296 HydrophobicContact CB-CD1 4.37Å; I43-I296 HydrophobicContact CD1-CG2 4.01Å; I43-I296 HydrophobicContact CG2-CD1 3.76Å; I43-A305 HydrophobicContact CD1-CB 3.96Å; I43-A305 HydrophobicContact CG1-CB 4.17Å; I43-A305 PolarHBondContact N-O 2.83Å
44	Q	97.2	Very high	97.1	Very high	126 Å²	126	77.7 Å²	77.7	59%	0.589	41%	0.407	S	S	*	.			trans	-124.2	81.7	178.2	-64.6	-175.4	-2.5	0	0	109.8	R42	R42-Q44 HydrophobicContact CG-CG 4.25Å
45	M	98	Very high	97.1	Very high	47 Å²	47	84 Å²	84	23%	0.232	44%	0.44	C	S	.	.			trans	-76.8	151.7	172.1	-56.3	174.7	116.8	0	0	109.8	I43 I296 L308 V327 W339	I43-M45 HydrophobicContact CG2-CG 3.9Å; M45-I296 HydrophobicContact CG-CD1 4.37Å; M45-I296 HydrophobicContact SD-CD1 3.83Å; M45-L308 HydrophobicContact CB-CD2 3.68Å; M45-L308 HydrophobicContact CG-CD2 4.16Å; M45-L308 HydrophobicContact SD-CD1 4.35Å; M45-L308 HydrophobicContact SD-CD2 3.98Å; M45-V327 HydrophobicContact CE-CG1 3.92Å; M45-V327 HydrophobicContact SD-CG1 3.9Å; M45-W339 HydrophobicContact CB-CB 4.08Å; M45-W339 HydrophobicContact SD-CB 4.47Å
46	R	98.2	Very high	97.3	Very high	166 Å²	166	82 Å²	82	63%	0.626	42%	0.424	S	S	*	.			trans	-119	145.5	176	-63.7	-176.3	-178.7	-174.8	0.4	110.2	R48 W339 N340	R46-R48 PolarHBondContact O-N 2.89Å; R46-R48 VanDerWaalsContact O-N 3.16Å; R46-W339 WeakPolarHBondContact O-CA 3.42Å; R46-N340 PolarHBondContact N-O 3.31Å; R46-N340 PolarHBondContact O-N 2.82Å
47	T	98.5	Very high	97.5	Very high	53 Å²	53	82 Å²	82	33%	0.325	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	118.4	170	-48.7	0	0	0	0	109.3	R49 K337 I338 W339	T47-R49 VanDerWaalsContact CG2-O 3.23Å; T47-R49 WeakPolarHBondContact CG2-O 3.45Å; T47-K337 HydrophobicContact CG2-CB 4Å; T47-K337 HydrophobicContact CG2-CD 4.41Å; T47-K337 HydrophobicContact CG2-CG 4.08Å; T47-I338 CarbonylContact C-O 3.49Å; T47-I338 WeakPolarHBondContact CA-O 3.25Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.33Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.42Å
48	R	98.4	Very high	97.6	Very high	117 Å²	117	78.3 Å²	78.3	44%	0.442	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-30.6	175.2	-58.1	-51.7	175.5	168.2	-0.8	112.7	R46 I338 N340	R46-R48 PolarHBondContact O-N 2.89Å; R46-R48 VanDerWaalsContact O-N 3.16Å; R48-I338 PolarHBondContact N-O 3.3Å; R48-N340 WeakPolarHBondContact CD-OD1 3.24Å; R48-N340 WeakPolarHBondContact CG-OD1 3.28Å; R48-N340 PolarHBondContact NE-O 3.17Å; R48-N340 PolarHBondContact NE-OD1 3.33Å; R48-N340 PolarHBondContact NH2-O 3.17Å
49	R	98.4	Very high	97.8	Very high	108 Å²	108	74.8 Å²	74.8	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.4	-179.9	-57	-69	-174.2	-88.4	-0.8	110.2	T47 S84 Y85 T87 K337 I338	T47-R49 VanDerWaalsContact CG2-O 3.23Å; T47-R49 WeakPolarHBondContact CG2-O 3.45Å; R49-S84 WeakPolarHBondContact CG-O 3.35Å; R49-Y85 PolarHBondContact NE-O 3.35Å; R49-Y85 VanDerWaalsContact NE-O 3.11Å; R49-Y85 PolarHBondContact NH2-O 2.96Å; R49-T87 HydrophobicContact CB-CG2 4.12Å; R49-T87 HydrophobicContact CG-CG2 4.21Å; R49-K337 WeakPolarHBondContact O-CA 3.23Å; R49-I338 HydrophobicContact CB-CB 4.07Å; R49-I338 HydrophobicContact CB-CD1 4.13Å; R49-I338 HydrophobicContact CB-CG1 4.28Å; R49-I338 PolarHBondContact N-O 3.22Å; R49-I338 PolarHBondContact O-N 3.43Å
50	T	98.6	Very high	98	Very high	30 Å²	30	71.2 Å²	71.2	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	111.1	170.6	-55.1	0	0	0	0	107.5	R52 F335 L336 K337	T50-R52 HydrophobicContact CG2-CG 4.22Å; T50-F335 HydrophobicContact CG2-CB 4.36Å; T50-F335 HydrophobicContact CG2-CD1 4.17Å; T50-F335 HydrophobicContact CG2-CG 4.41Å; T50-L336 CarbonylContact C-O 3.57Å; T50-L336 WeakPolarHBondContact CA-O 3.18Å; T50-K337 HydrophobicContact CG2-CG 4.45Å
51	L	98.6	Very high	98.1	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.3	-179.5	-49.8	-178.3	0	0	0	108.3	L70 W82 T87 L336 I338	L51-L70 HydrophobicContact CD1-CD1 4.22Å; L51-L70 HydrophobicContact CD1-CD2 4.02Å; L51-W82 HydrophobicContact CB-CD2 4.13Å; L51-W82 HydrophobicContact CB-CE3 3.86Å; L51-W82 HydrophobicContact CB-CH2 4.26Å; L51-W82 HydrophobicContact CB-CZ3 3.93Å; L51-W82 HydrophobicContact CD1-CB 3.93Å; L51-W82 HydrophobicContact CD1-CD2 4Å; L51-W82 HydrophobicContact CD1-CE3 4.34Å; L51-W82 HydrophobicContact CD1-CG 3.83Å; L51-W82 HydrophobicContact CD2-CE3 4.39Å; L51-W82 HydrophobicContact CG-CE3 4.43Å; L51-T87 HydrophobicContact CD2-CG2 3.84Å; L51-L336 HydrophobicContact CB-CB 4.08Å; L51-L336 HydrophobicContact CB-CD1 4.44Å; L51-L336 HydrophobicContact CD1-CB 4.08Å; L51-L336 HydrophobicContact CG-CB 4.28Å; L51-L336 PolarHBondContact N-O 3.14Å; L51-L336 PolarHBondContact O-N 3.43Å; L51-I338 HydrophobicContact CD1-CD1 4.29Å; L51-I338 HydrophobicContact CD2-CD1 4.47Å
52	R	98.2	Very high	98.2	Very high	155 Å²	155	69.5 Å²	69.5	59%	0.585	31%	0.314	S	S	*	.			trans	-116.4	130.8	-176.9	-58	-171.6	173.2	79.9	-2.1	110.2	T50 W82 K89 F335	T50-R52 HydrophobicContact CG2-CG 4.22Å; R52-W82 WeakPolarHBondContact O-CH2 3.5Å; R52-W82 WeakPolarHBondContact O-CZ3 3.42Å; R52-K89 VanDerWaalsContact O-CE 3.25Å; R52-K89 WeakPolarHBondContact O-CE 3.47Å; R52-K89 PolarHBondContact O-NZ 3.04Å; R52-F335 HydrophobicContact CB-CE1 4.38Å; R52-F335 HydrophobicContact CG-CD1 3.85Å; R52-F335 HydrophobicContact CG-CE1 3.76Å
53	G	97	Very high	98.3	Very high	26 Å²	26	60.2 Å²	60.2	27%	0.268	28%	0.279	S	S	.	.			trans	163.7	-18.2	175.1	0	0	0	0	0	116.4
54	H	98.4	Very high	98.3	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.037	27%	0.273	C	S	.	.			trans	-73.6	151.7	166.6	-73.5	-61.7	0	0	0	110.6	I58 S72 S74 D76 I80	H54-I58 HydrophobicContact CB-CG1 4.22Å; H54-S72 PolarHBondContact NE2-OG 2.81Å; H54-S74 WeakPolarHBondContact CE1-CB 3.5Å; H54-S74 WeakPolarHBondContact ND1-CB 3.14Å; H54-D76 VanDerWaalsContact CA-OD2 3.28Å; H54-D76 WeakPolarHBondContact CA-OD2 3.43Å; H54-D76 IonicContact CG-OD2 2.95Å; H54-D76 IonicContact ND1-OD1 3.37Å; H54-D76 IonicContact ND1-OD2 3.99Å; H54-D76 PolarHBondContact ND1-OD2 3.44Å; H54-I80 VanDerWaalsContact CE1-CD1 3.48Å; H54-I80 WeakPolarHBondContact CE1-CD1 3.35Å
55	L	97.7	Very high	98.3	Very high	142 Å²	142	56.3 Å²	56.3	74%	0.743	27%	0.266	S	S	*	.	S	Bend	trans	-112.9	-2.5	-179.8	-58.5	178.9	0	0	0	112.2	D76	L55-D76 HydrophobicContact CB-CB 4.26Å; L55-D76 PolarHBondContact N-OD2 2.94Å
56	A	98.4	Very high	98.3	Very high	32 Å²	32	58 Å²	58	26%	0.264	28%	0.276	S	S	.	.	S	Bend	trans	-144.2	-174.3	-179.6	0	0	0	0	0	110.4	I58 S74 Q75 D76 S334	A56-I58 PolarHBondContact O-N 3.36Å; A56-S74 PolarHBondContact O-OG 3.41Å; A56-Q75 HydrophobicContact CB-CB 4.3Å; A56-D76 HydrophobicContact CB-CB 3.85Å; A56-S334 WeakPolarHBondContact O-CA 3.14Å; A56-S334 WeakPolarHBondContact O-CB 3.37Å
57	K	98.6	Very high	98.3	Very high	76 Å²	76	50.6 Å²	50.6	33%	0.33	25%	0.25	S	C	.	.			trans	-60.6	127.9	-178	-60.4	175.5	176.2	-174.9	0	111	Y59 S74 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.35Å; K57-Y59 HydrophobicContact CB-CE2 4.01Å; K57-S74 WeakPolarHBondContact O-CA 3.47Å; K57-S74 PolarHBondContact O-OG 3.19Å; K57-Q75 PolarHBondContact O-N 3.33Å; K57-W332 HydrophobicContact CB-CB 4.19Å; K57-W332 HydrophobicContact CB-CD2 4.47Å; K57-W332 HydrophobicContact CB-CG 3.87Å; K57-W332 HydrophobicContact CD-CB 4.29Å; K57-W332 HydrophobicContact CD-CD2 3.67Å; K57-W332 HydrophobicContact CD-CE3 3.99Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.88Å; K57-W332 HydrophobicContact CG-CD2 4.2Å; K57-W332 HydrophobicContact CG-CG 3.83Å
58	I	98.8	Very high	98.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.6	169.7	-63.5	157.3	0	0	0	108.1	H54 A56 A73 S316 S331 W332 S334 F335 L336	H54-I58 HydrophobicContact CB-CG1 4.22Å; A56-I58 PolarHBondContact O-N 3.36Å; I58-A73 WeakPolarHBondContact CA-O 3.37Å; I58-S316 VanDerWaalsContact O-CB 3.28Å; I58-S316 WeakPolarHBondContact O-CB 3.28Å; I58-S316 PolarHBondContact O-OG 3.21Å; I58-S331 WeakPolarHBondContact CB-O 3.28Å; I58-S331 PolarHBondContact N-O 2.87Å; I58-W332 VanDerWaalsContact O-CD1 3.31Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; I58-S334 WeakPolarHBondContact CD1-O 3.49Å; I58-F335 WeakPolarHBondContact CD1-O 3.41Å; I58-L336 HydrophobicContact CD1-CD1 3.44Å; I58-L336 VanDerWaalsContact CD1-CD1 3.44Å; I58-L336 HydrophobicContact CD1-CG 3.87Å; I58-L336 HydrophobicContact CG1-CD1 4.45Å
59	Y	98.7	Very high	98.3	Very high	60 Å²	60	49 Å²	49	24%	0.235	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-39.7	178.2	-93.7	-109	0	0	0	112.6	K57 A73 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.35Å; K57-Y59 HydrophobicContact CB-CE2 4.01Å; Y59-A73 PolarHBondContact N-O 2.81Å; Y59-Q75 HydrophobicContact CD2-CG 3.7Å; Y59-Q75 HydrophobicContact CE2-CG 3.57Å; Y59-Q75 PolarHBondContact OH-NE2 3.45Å; Y59-Q75 VanDerWaalsContact OH-NE2 3.1Å; Y59-W332 HydrophobicContact CE1-CZ2 4.44Å; Y59-W332 HydrophobicContact CE2-CZ2 4.3Å; Y59-W332 AromaticContact CE2-NE1 3.59Å; Y59-W332 AromaticContact CZ-CZ2 3.81Å; Y59-W332 AromaticContact CZ-NE1 3.87Å; Y59-W332 WeakPolarHBondContact OH-CZ2 3.32Å
60	A	98.8	Very high	98.3	Very high	11 Å²	11	43.8 Å²	43.8	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.7	-176.3	0	0	0	0	0	111.3	S72 A73	A60-S72 WeakPolarHBondContact O-CA 3.48Å; A60-A73 PolarHBondContact O-N 2.68Å
61	M	98.8	Very high	98.3	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.9	166.7	70.3	79.5	54.6	0	0	109.5	W63 L70 V71 C317 A328 L336	M61-W63 HydrophobicContact CE-CD2 4.33Å; M61-W63 HydrophobicContact CE-CG 4.29Å; M61-L70 HydrophobicContact CE-CB 4.08Å; M61-L70 HydrophobicContact CE-CD1 3.76Å; M61-L70 HydrophobicContact CE-CG 4.34Å; M61-V71 CarbonylContact C-O 3.58Å; M61-V71 WeakPolarHBondContact CA-O 3.33Å; M61-V71 WeakPolarHBondContact CB-O 3.38Å; M61-C317 HydrophobicContact CG-CB 4.15Å; M61-A328 HydrophobicContact CE-CB 3.49Å; M61-A328 VanDerWaalsContact CE-CB 3.49Å; M61-A328 HydrophobicContact SD-CB 4.28Å; M61-L336 HydrophobicContact CB-CD2 3.88Å; M61-L336 HydrophobicContact CG-CD2 4.28Å
62	H	98.9	Very high	98.3	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.231	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	130.1	175.2	-165.1	-115.6	0	0	0	109.8	L70 V71 Y105	H62-L70 CarbonylContact O-C 3.56Å; H62-L70 VanDerWaalsContact O-CA 3.31Å; H62-L70 WeakPolarHBondContact O-CA 3.38Å; H62-L70 WeakPolarHBondContact O-CB 3.36Å; H62-V71 HydrophobicContact CB-CG1 3.96Å; H62-V71 PolarHBondContact N-O 3.42Å; H62-V71 PolarHBondContact O-N 2.87Å; H62-Y105 WeakPolarHBondContact ND1-CB 3.28Å; H62-Y105 PolarHBondContact ND1-N 2.81Å; H62-Y105 VanDerWaalsContact ND1-N 3.11Å
63	W	98.8	Very high	98.3	Very high	14 Å²	14	35 Å²	35	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	147	170.9	-73.1	108.5	0	0	0	110.5	M61 L70 G319 T321 A328 I338	M61-W63 HydrophobicContact CE-CD2 4.33Å; M61-W63 HydrophobicContact CE-CG 4.29Å; W63-L70 HydrophobicContact CD2-CB 4.06Å; W63-L70 HydrophobicContact CD2-CD2 4.37Å; W63-L70 HydrophobicContact CE3-CB 3.69Å; W63-L70 HydrophobicContact CE3-CD2 3.83Å; W63-L70 HydrophobicContact CE3-CG 4.4Å; W63-L70 HydrophobicContact CH2-CD2 3.53Å; W63-L70 HydrophobicContact CZ2-CD2 4.11Å; W63-L70 HydrophobicContact CZ3-CB 4.13Å; W63-L70 HydrophobicContact CZ3-CD2 3.37Å; W63-L70 HydrophobicContact CZ3-CG 4.36Å; W63-G319 PolarHBondContact NE1-O 3.29Å; W63-T321 HydrophobicContact CD2-CG2 3.66Å; W63-T321 HydrophobicContact CE3-CG2 3.81Å; W63-T321 HydrophobicContact CG-CG2 4.23Å; W63-T321 HydrophobicContact CH2-CG2 3.89Å; W63-T321 HydrophobicContact CZ2-CG2 3.72Å; W63-T321 HydrophobicContact CZ3-CG2 3.93Å; W63-A328 HydrophobicContact CH2-CB 4.44Å; W63-A328 HydrophobicContact CZ2-CB 3.42Å; W63-A328 VanDerWaalsContact CZ2-CB 3.42Å; W63-I338 HydrophobicContact CH2-CD1 3.99Å; W63-I338 HydrophobicContact CH2-CG1 4.45Å
64	G	98.3	Very high	98.4	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.031	17%	0.171	C	C	.	.			trans	-77.8	159.8	160.4	0	0	0	0	0	110.5	D66 S67 L69	G64-D66 PolarHBondContact O-N 3.12Å; G64-S67 PolarHBondContact O-N 3.08Å; G64-S67 VanDerWaalsContact O-N 3.11Å; G64-L69 PolarHBondContact N-O 2.94Å
65	T	97.3	Very high	98.4	Very high	74 Å²	74	35 Å²	35	45%	0.454	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.8	180	49.5	0	0	0	0	113.5	S67 P107 D322	T65-S67 PolarHBondContact O-N 3.08Å; T65-P107 HydrophobicContact CG2-CB 4.14Å; T65-P107 PolarHBondContact OG1-O 2.97Å; T65-D322 WeakPolarHBondContact CA-OD2 3.44Å
66	D	97.4	Very high	98.3	Very high	82 Å²	82	30.1 Å²	30.1	44%	0.439	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.4	174.4	73.1	-11.5	0	0	0	113.7	G64 R68 L69	G64-D66 PolarHBondContact O-N 3.12Å; D66-R68 PolarHBondContact O-N 2.76Å; D66-R68 PolarHBondContact OD1-N 2.77Å; D66-L69 PolarHBondContact OD1-N 2.92Å; D66-L69 VanDerWaalsContact OD2-CG 3.29Å; D66-L69 WeakPolarHBondContact OD2-CG 3.36Å
67	S	98.1	Very high	98.3	Very high	10 Å²	10	29.1 Å²	29.1	7%	0.07	14%	0.144	C	C	.	.	S	Bend	trans	56.1	21.7	-178.5	-61.7	0	0	0	0	113.8	G64 T65 D322 D323	G64-S67 PolarHBondContact O-N 3.08Å; G64-S67 VanDerWaalsContact O-N 3.11Å; T65-S67 PolarHBondContact O-N 3.08Å; S67-D322 PolarHBondContact OG-N 3Å; S67-D323 VanDerWaalsContact CB-CG 3.46Å; S67-D323 WeakPolarHBondContact CB-OD2 3.49Å; S67-D323 PolarHBondContact OG-N 3.28Å
68	R	98	Very high	98.2	Very high	99 Å²	99	29.1 Å²	29.1	37%	0.374	15%	0.145	S	C	.	.	S	Bend	trans	-132.6	-51.6	-176.2	177.8	-179.7	175.4	-175.4	-2.8	111.8	D66 D83 S84 Y85	D66-R68 PolarHBondContact O-N 2.76Å; D66-R68 PolarHBondContact OD1-N 2.77Å; R68-D83 WeakPolarHBondContact CG-OD1 3.2Å; R68-D83 IonicContact CZ-OD1 2.91Å; R68-D83 IonicContact CZ-OD2 3.29Å; R68-D83 IonicContact NE-OD1 2.86Å; R68-D83 PolarHBondContact NE-OD1 2.74Å; R68-D83 IonicContact NE-OD2 3.46Å; R68-D83 PolarHBondContact NE-OD2 3.02Å; R68-D83 IonicContact NH2-OD1 3.88Å; R68-D83 IonicContact NH2-OD2 3.62Å; R68-D83 PolarHBondContact NH2-OD2 3.3Å; R68-S84 WeakPolarHBondContact CA-OG 3.18Å; R68-S84 WeakPolarHBondContact O-CB 3.41Å; R68-S84 PolarHBondContact O-N 3.4Å; R68-S84 PolarHBondContact O-OG 3.23Å; R68-Y85 HydrophobicContact CB-CE1 4.47Å; R68-Y85 HydrophobicContact CG-CD1 4.15Å; R68-Y85 HydrophobicContact CG-CD2 4.41Å; R68-Y85 HydrophobicContact CG-CE1 4.3Å; R68-Y85 HydrophobicContact CG-CG 4.2Å
69	L	98.5	Very high	98.2	Very high	37 Å²	37	29.1 Å²	29.1	19%	0.194	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.3	176.8	-64.6	178.3	0	0	0	109.2	G64 D66 W82 D83 M90 Y105	G64-L69 PolarHBondContact N-O 2.94Å; D66-L69 PolarHBondContact OD1-N 2.92Å; D66-L69 VanDerWaalsContact OD2-CG 3.29Å; D66-L69 WeakPolarHBondContact OD2-CG 3.36Å; L69-W82 VanDerWaalsContact CA-O 3.31Å; L69-W82 WeakPolarHBondContact CA-O 2.93Å; L69-W82 WeakPolarHBondContact CD2-O 3.4Å; L69-D83 HydrophobicContact CD2-CB 4.18Å; L69-M90 HydrophobicContact CD2-CG 3.98Å; L69-Y105 HydrophobicContact CB-CE2 4.27Å
70	L	98.7	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.9	170.4	68.1	108.4	0	0	0	110	L51 M61 H62 W63 I81 W82 L336 I338	L51-L70 HydrophobicContact CD1-CD1 4.22Å; L51-L70 HydrophobicContact CD1-CD2 4.02Å; M61-L70 HydrophobicContact CE-CB 4.08Å; M61-L70 HydrophobicContact CE-CD1 3.76Å; M61-L70 HydrophobicContact CE-CG 4.34Å; H62-L70 CarbonylContact O-C 3.56Å; H62-L70 VanDerWaalsContact O-CA 3.31Å; H62-L70 WeakPolarHBondContact O-CA 3.38Å; H62-L70 WeakPolarHBondContact O-CB 3.36Å; W63-L70 HydrophobicContact CD2-CB 4.06Å; W63-L70 HydrophobicContact CD2-CD2 4.37Å; W63-L70 HydrophobicContact CE3-CB 3.69Å; W63-L70 HydrophobicContact CE3-CD2 3.83Å; W63-L70 HydrophobicContact CE3-CG 4.4Å; W63-L70 HydrophobicContact CH2-CD2 3.53Å; W63-L70 HydrophobicContact CZ2-CD2 4.11Å; W63-L70 HydrophobicContact CZ3-CB 4.13Å; W63-L70 HydrophobicContact CZ3-CD2 3.37Å; W63-L70 HydrophobicContact CZ3-CG 4.36Å; L70-I81 CarbonylContact O-C 3.54Å; L70-I81 WeakPolarHBondContact O-CA 3.3Å; L70-W82 HydrophobicContact CD1-CG 4.35Å; L70-W82 HydrophobicContact CG-CB 4.17Å; L70-W82 PolarHBondContact N-O 2.85Å; L70-W82 VanDerWaalsContact N-O 3.14Å; L70-W82 PolarHBondContact O-N 3.38Å; L70-L336 HydrophobicContact CD1-CD2 3.77Å; L70-I338 HydrophobicContact CD2-CD1 4.39Å
71	V	98.8	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.8	173.1	64.6	0	0	0	0	109.4	M61 H62 L79 I80 I81 C103 Y105 V112	M61-V71 CarbonylContact C-O 3.58Å; M61-V71 WeakPolarHBondContact CA-O 3.33Å; M61-V71 WeakPolarHBondContact CB-O 3.38Å; H62-V71 HydrophobicContact CB-CG1 3.96Å; H62-V71 PolarHBondContact N-O 3.42Å; H62-V71 PolarHBondContact O-N 2.87Å; V71-L79 HydrophobicContact CG2-CD1 3.47Å; V71-L79 VanDerWaalsContact CG2-CD1 3.47Å; V71-L79 HydrophobicContact CG2-CD2 4.04Å; V71-L79 HydrophobicContact CG2-CG 3.5Å; V71-I80 CarbonylContact C-O 3.52Å; V71-I80 WeakPolarHBondContact CA-O 3.45Å; V71-I81 HydrophobicContact CB-CG1 4.27Å; V71-I81 HydrophobicContact CG2-CG1 4.08Å; V71-C103 HydrophobicContact CG1-CB 4.33Å; V71-Y105 HydrophobicContact CB-CD2 3.96Å; V71-Y105 HydrophobicContact CG1-CD2 3.94Å; V71-Y105 HydrophobicContact CG1-CG 4.48Å; V71-V112 HydrophobicContact CB-CG1 4.24Å; V71-V112 HydrophobicContact CG1-CG1 4.44Å; V71-V112 HydrophobicContact CG2-CB 4.49Å; V71-V112 HydrophobicContact CG2-CG1 4.22Å
72	S	98.8	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.7	171.7	65	0	0	0	0	111.7	H54 A60 L79 I80 W82	H54-S72 PolarHBondContact NE2-OG 2.81Å; A60-S72 WeakPolarHBondContact O-CA 3.48Å; S72-L79 WeakPolarHBondContact O-CA 3.34Å; S72-I80 PolarHBondContact N-O 3Å; S72-I80 PolarHBondContact O-N 2.89Å; S72-W82 PolarHBondContact OG-NE1 3.01Å
73	A	98.7	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	-177.7	0	0	0	0	0	111	I58 Y59 A60 L79 V100 C103	I58-A73 WeakPolarHBondContact CA-O 3.37Å; Y59-A73 PolarHBondContact N-O 2.81Å; A60-A73 PolarHBondContact O-N 2.68Å; A73-L79 HydrophobicContact CB-CD1 3.71Å; A73-V100 HydrophobicContact CB-CB 4.38Å; A73-V100 HydrophobicContact CB-CG1 3.73Å; A73-V100 HydrophobicContact CB-CG2 3.71Å; A73-C103 HydrophobicContact CB-CB 3.91Å
74	S	98.6	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.4	-174.9	169.9	0	0	0	0	112.3	H54 A56 K57 D76 G77 K78 V100	H54-S74 WeakPolarHBondContact CE1-CB 3.5Å; H54-S74 WeakPolarHBondContact ND1-CB 3.14Å; A56-S74 PolarHBondContact O-OG 3.41Å; K57-S74 WeakPolarHBondContact O-CA 3.47Å; K57-S74 PolarHBondContact O-OG 3.19Å; S74-D76 VanDerWaalsContact CB-OD1 3.25Å; S74-D76 WeakPolarHBondContact CB-OD1 3.29Å; S74-D76 PolarHBondContact O-N 3.1Å; S74-D76 VanDerWaalsContact O-N 3.08Å; S74-D76 PolarHBondContact OG-N 3.24Å; S74-D76 PolarHBondContact OG-OD1 3.44Å; S74-D76 PolarHBondContact OG-OD2 3.48Å; S74-G77 PolarHBondContact O-N 3.21Å; S74-G77 VanDerWaalsContact O-N 3.11Å; S74-K78 PolarHBondContact N-O 2.92Å; S74-V100 WeakPolarHBondContact O-CG1 3.48Å
75	Q	97.8	Very high	98	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.168	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-0.9	177.4	-71.6	-170.4	-29.5	0	0	114.8	A56 K57 Y59 G77 S98 W99	A56-Q75 HydrophobicContact CB-CB 4.3Å; K57-Q75 PolarHBondContact O-N 3.33Å; Y59-Q75 HydrophobicContact CD2-CG 3.7Å; Y59-Q75 HydrophobicContact CE2-CG 3.57Å; Y59-Q75 PolarHBondContact OH-NE2 3.45Å; Y59-Q75 VanDerWaalsContact OH-NE2 3.1Å; Q75-G77 PolarHBondContact O-N 3.26Å; Q75-S98 CarbonylContact C-O 3.53Å; Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.29Å; Q75-W99 VanDerWaalsContact NE2-CE3 3.26Å
76	D	96.6	Very high	98.1	Very high	39 Å²	39	28.8 Å²	28.8	21%	0.209	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3.5	167.4	60.7	18.3	0	0	0	112.7	H54 L55 A56 S74 K78	H54-D76 VanDerWaalsContact CA-OD2 3.28Å; H54-D76 WeakPolarHBondContact CA-OD2 3.43Å; H54-D76 IonicContact CG-OD2 2.95Å; H54-D76 IonicContact ND1-OD1 3.37Å; H54-D76 IonicContact ND1-OD2 3.99Å; H54-D76 PolarHBondContact ND1-OD2 3.44Å; L55-D76 HydrophobicContact CB-CB 4.26Å; L55-D76 PolarHBondContact N-OD2 2.94Å; A56-D76 HydrophobicContact CB-CB 3.85Å; S74-D76 VanDerWaalsContact CB-OD1 3.25Å; S74-D76 WeakPolarHBondContact CB-OD1 3.29Å; S74-D76 PolarHBondContact O-N 3.1Å; S74-D76 VanDerWaalsContact O-N 3.08Å; S74-D76 PolarHBondContact OG-N 3.24Å; S74-D76 PolarHBondContact OG-OD1 3.44Å; S74-D76 PolarHBondContact OG-OD2 3.48Å; D76-K78 VanDerWaalsContact OD1-CB 3.23Å; D76-K78 WeakPolarHBondContact OD1-CB 3.42Å; D76-K78 PolarHBondContact OD1-N 2.87Å
77	G	96.8	Very high	98.1	Very high	10 Å²	10	27.5 Å²	27.5	10%	0.103	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	29.4	-177.7	0	0	0	0	0	112.8	S74 Q75 L95	S74-G77 PolarHBondContact O-N 3.21Å; S74-G77 VanDerWaalsContact O-N 3.11Å; Q75-G77 PolarHBondContact O-N 3.26Å; G77-L95 WeakPolarHBondContact O-CB 3.45Å; G77-L95 PolarHBondContact O-N 3.09Å
78	K	97.7	Very high	98.1	Very high	77 Å²	77	31.6 Å²	31.6	34%	0.335	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.7	175.9	-58.1	-174.3	-179.6	178.9	0	112.3	S74 D76 I80 I93	S74-K78 PolarHBondContact N-O 2.92Å; D76-K78 VanDerWaalsContact OD1-CB 3.23Å; D76-K78 WeakPolarHBondContact OD1-CB 3.42Å; D76-K78 PolarHBondContact OD1-N 2.87Å; K78-I80 HydrophobicContact CB-CG1 4.22Å; K78-I93 WeakPolarHBondContact CA-O 3.44Å
79	L	98	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.9	163.6	-168.3	72.8	0	0	0	107.8	V71 S72 A73 I93 L95 C103 V112 C114 Y124	V71-L79 HydrophobicContact CG2-CD1 3.47Å; V71-L79 VanDerWaalsContact CG2-CD1 3.47Å; V71-L79 HydrophobicContact CG2-CD2 4.04Å; V71-L79 HydrophobicContact CG2-CG 3.5Å; S72-L79 WeakPolarHBondContact O-CA 3.34Å; A73-L79 HydrophobicContact CB-CD1 3.71Å; L79-I93 HydrophobicContact CB-CB 4.22Å; L79-I93 HydrophobicContact CD2-CD1 4.21Å; L79-I93 PolarHBondContact N-O 2.64Å; L79-I93 PolarHBondContact O-N 2.89Å; L79-L95 HydrophobicContact CB-CD1 4.45Å; L79-L95 HydrophobicContact CB-CD2 3.95Å; L79-L95 HydrophobicContact CB-CG 4.36Å; L79-C103 HydrophobicContact CD1-CB 3.56Å; L79-V112 HydrophobicContact CD2-CB 4.21Å; L79-V112 HydrophobicContact CD2-CG2 3.65Å; L79-C114 HydrophobicContact CD1-CB 4.19Å; L79-C114 HydrophobicContact CD2-CB 4.25Å; L79-Y124 HydrophobicContact CD2-CD2 4.34Å
80	I	98.5	Very high	97.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.7	-177	-56.6	178.7	0	0	0	109.3	H54 V71 S72 K78 W82 K89 H91 A92	H54-I80 VanDerWaalsContact CE1-CD1 3.48Å; H54-I80 WeakPolarHBondContact CE1-CD1 3.35Å; V71-I80 CarbonylContact C-O 3.52Å; V71-I80 WeakPolarHBondContact CA-O 3.45Å; S72-I80 PolarHBondContact N-O 3Å; S72-I80 PolarHBondContact O-N 2.89Å; K78-I80 HydrophobicContact CB-CG1 4.22Å; I80-W82 HydrophobicContact CB-CZ2 3.79Å; I80-W82 HydrophobicContact CD1-CH2 4.16Å; I80-W82 HydrophobicContact CD1-CZ2 3.74Å; I80-W82 HydrophobicContact CG1-CZ2 4.36Å; I80-W82 HydrophobicContact CG2-CD2 3.7Å; I80-W82 HydrophobicContact CG2-CE3 4.24Å; I80-W82 HydrophobicContact CG2-CG 4.21Å; I80-W82 HydrophobicContact CG2-CH2 4.05Å; I80-W82 HydrophobicContact CG2-CZ2 3.47Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.47Å; I80-W82 HydrophobicContact CG2-CZ3 4.4Å; I80-W82 PolarHBondContact O-NE1 3.45Å; I80-K89 HydrophobicContact CG2-CB 4.18Å; I80-K89 HydrophobicContact CG2-CD 4.28Å; I80-K89 HydrophobicContact CG2-CG 3.94Å; I80-H91 WeakPolarHBondContact CA-O 3.49Å; I80-H91 WeakPolarHBondContact CG2-O 3.46Å; I80-A92 HydrophobicContact CG1-CB 4.41Å
81	I	98.3	Very high	97.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	171.4	-59.1	177.1	0	0	0	108.2	L70 V71 K89 M90 H91 Y105 V112 L126	L70-I81 CarbonylContact O-C 3.54Å; L70-I81 WeakPolarHBondContact O-CA 3.3Å; V71-I81 HydrophobicContact CB-CG1 4.27Å; V71-I81 HydrophobicContact CG2-CG1 4.08Å; I81-K89 CarbonylContact O-C 3.56Å; I81-M90 HydrophobicContact CB-CB 4.44Å; I81-M90 HydrophobicContact CG2-CB 4.15Å; I81-M90 PolarHBondContact O-N 3.04Å; I81-H91 HydrophobicContact CB-CB 4.2Å; I81-H91 HydrophobicContact CD1-CB 4.2Å; I81-H91 HydrophobicContact CG1-CB 4.36Å; I81-H91 PolarHBondContact N-O 2.9Å; I81-H91 PolarHBondContact O-N 3.35Å; I81-Y105 HydrophobicContact CG2-CE2 4.15Å; I81-V112 HydrophobicContact CD1-CG1 3.88Å; I81-V112 HydrophobicContact CD1-CG2 4.35Å; I81-L126 HydrophobicContact CD1-CD1 3.44Å; I81-L126 VanDerWaalsContact CD1-CD1 3.44Å; I81-L126 HydrophobicContact CD1-CD2 3.33Å; I81-L126 HydrophobicContact CD1-CG 4.01Å
82	W	98.7	Very high	97.5	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.9	-174.3	-48.7	83.1	0	0	0	110.7	L51 R52 L69 L70 S72 I80 N88 K89 L336	L51-W82 HydrophobicContact CB-CD2 4.13Å; L51-W82 HydrophobicContact CB-CE3 3.86Å; L51-W82 HydrophobicContact CB-CH2 4.26Å; L51-W82 HydrophobicContact CB-CZ3 3.93Å; L51-W82 HydrophobicContact CD1-CB 3.93Å; L51-W82 HydrophobicContact CD1-CD2 4Å; L51-W82 HydrophobicContact CD1-CE3 4.34Å; L51-W82 HydrophobicContact CD1-CG 3.83Å; L51-W82 HydrophobicContact CD2-CE3 4.39Å; L51-W82 HydrophobicContact CG-CE3 4.43Å; R52-W82 WeakPolarHBondContact O-CH2 3.5Å; R52-W82 WeakPolarHBondContact O-CZ3 3.42Å; L69-W82 VanDerWaalsContact CA-O 3.31Å; L69-W82 WeakPolarHBondContact CA-O 2.93Å; L69-W82 WeakPolarHBondContact CD2-O 3.4Å; L70-W82 HydrophobicContact CD1-CG 4.35Å; L70-W82 HydrophobicContact CG-CB 4.17Å; L70-W82 PolarHBondContact N-O 2.85Å; L70-W82 VanDerWaalsContact N-O 3.14Å; L70-W82 PolarHBondContact O-N 3.38Å; S72-W82 PolarHBondContact OG-NE1 3.01Å; I80-W82 HydrophobicContact CB-CZ2 3.79Å; I80-W82 HydrophobicContact CD1-CH2 4.16Å; I80-W82 HydrophobicContact CD1-CZ2 3.74Å; I80-W82 HydrophobicContact CG1-CZ2 4.36Å; I80-W82 HydrophobicContact CG2-CD2 3.7Å; I80-W82 HydrophobicContact CG2-CE3 4.24Å; I80-W82 HydrophobicContact CG2-CG 4.21Å; I80-W82 HydrophobicContact CG2-CH2 4.05Å; I80-W82 HydrophobicContact CG2-CZ2 3.47Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.47Å; I80-W82 HydrophobicContact CG2-CZ3 4.4Å; I80-W82 PolarHBondContact O-NE1 3.45Å; W82-N88 WeakPolarHBondContact CA-O 3.26Å; W82-K89 HydrophobicContact CE3-CG 3.78Å; W82-K89 HydrophobicContact CH2-CD 4.36Å; W82-K89 HydrophobicContact CH2-CG 4.16Å; W82-K89 HydrophobicContact CZ3-CD 4.14Å; W82-K89 HydrophobicContact CZ3-CG 3.55Å; W82-L336 HydrophobicContact CZ2-CD1 4.32Å
83	D	98.4	Very high	97.4	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110	156.8	175.5	3.4	0	0	0	108.6	R68 L69 Y85 T86 T87 N88 M90	R68-D83 WeakPolarHBondContact CG-OD1 3.2Å; R68-D83 IonicContact CZ-OD1 2.91Å; R68-D83 IonicContact CZ-OD2 3.29Å; R68-D83 IonicContact NE-OD1 2.86Å; R68-D83 PolarHBondContact NE-OD1 2.74Å; R68-D83 IonicContact NE-OD2 3.46Å; R68-D83 PolarHBondContact NE-OD2 3.02Å; R68-D83 IonicContact NH2-OD1 3.88Å; R68-D83 IonicContact NH2-OD2 3.62Å; R68-D83 PolarHBondContact NH2-OD2 3.3Å; L69-D83 HydrophobicContact CD2-CB 4.18Å; D83-Y85 PolarHBondContact O-N 3.37Å; D83-Y85 PolarHBondContact OD1-N 3.2Å; D83-T86 WeakPolarHBondContact CB-OG1 3.28Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.39Å; D83-T86 PolarHBondContact OD2-OG1 3.44Å; D83-T87 VanDerWaalsContact O-CA 3.25Å; D83-T87 WeakPolarHBondContact O-CA 3.44Å; D83-T87 PolarHBondContact O-N 2.87Å; D83-N88 PolarHBondContact N-O 3.46Å; D83-M90 HydrophobicContact CB-CG 4.29Å; D83-M90 HydrophobicContact CB-SD 4.43Å
84	S	98	Very high	97.3	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.049	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.6	-178.7	55.6	0	0	0	0	113.7	R49 R68	R49-S84 WeakPolarHBondContact CG-O 3.35Å; R68-S84 WeakPolarHBondContact CA-OG 3.18Å; R68-S84 WeakPolarHBondContact O-CB 3.41Å; R68-S84 PolarHBondContact O-N 3.4Å; R68-S84 PolarHBondContact O-OG 3.23Å
85	Y	97.4	Very high	97.1	Very high	134 Å²	134	47 Å²	47	53%	0.525	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-44.7	-173.5	-73	11	0	0	0	110.9	R49 R68 D83	R49-Y85 PolarHBondContact NE-O 3.35Å; R49-Y85 VanDerWaalsContact NE-O 3.11Å; R49-Y85 PolarHBondContact NH2-O 2.96Å; R68-Y85 HydrophobicContact CB-CE1 4.47Å; R68-Y85 HydrophobicContact CG-CD1 4.15Å; R68-Y85 HydrophobicContact CG-CD2 4.41Å; R68-Y85 HydrophobicContact CG-CE1 4.3Å; R68-Y85 HydrophobicContact CG-CG 4.2Å; D83-Y85 PolarHBondContact O-N 3.37Å; D83-Y85 PolarHBondContact OD1-N 3.2Å
86	T	97.9	Very high	96.8	Very high	61 Å²	61	54.5 Å²	54.5	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.1	-175.1	63.8	0	0	0	0	113.5	D83 N88	D83-T86 WeakPolarHBondContact CB-OG1 3.28Å; D83-T86 PolarHBondContact O-N 3.48Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.39Å; D83-T86 PolarHBondContact OD2-OG1 3.44Å; T86-N88 PolarHBondContact O-N 2.82Å; T86-N88 WeakPolarHBondContact OG1-CB 3.31Å; T86-N88 PolarHBondContact OG1-N 2.96Å; T86-N88 PolarHBondContact OG1-ND2 2.95Å
87	T	98.1	Very high	96.6	Very high	55 Å²	55	53.9 Å²	53.9	34%	0.337	28%	0.276	S	S	.	.			trans	64.1	9.3	-171.5	72.7	0	0	0	0	115	R49 L51 D83	R49-T87 HydrophobicContact CB-CG2 4.12Å; R49-T87 HydrophobicContact CG-CG2 4.21Å; L51-T87 HydrophobicContact CD2-CG2 3.84Å; D83-T87 VanDerWaalsContact O-CA 3.25Å; D83-T87 WeakPolarHBondContact O-CA 3.44Å; D83-T87 PolarHBondContact O-N 2.87Å
88	N	97.9	Very high	96.4	Very high	96 Å²	96	55.9 Å²	55.9	51%	0.513	29%	0.288	S	S	.	.			trans	-72	146.3	178.7	-70.5	-25.8	0	0	0	111	W82 D83 T86	W82-N88 WeakPolarHBondContact CA-O 3.26Å; D83-N88 PolarHBondContact N-O 3.46Å; T86-N88 PolarHBondContact O-N 2.82Å; T86-N88 WeakPolarHBondContact OG1-CB 3.31Å; T86-N88 PolarHBondContact OG1-N 2.96Å; T86-N88 PolarHBondContact OG1-ND2 2.95Å
89	K	97	Very high	96.2	Very high	102 Å²	102	58.6 Å²	58.6	44%	0.443	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.7	171.2	-59	174.8	-174	69.5	0	107.3	R52 I80 I81 W82	R52-K89 VanDerWaalsContact O-CE 3.25Å; R52-K89 WeakPolarHBondContact O-CE 3.47Å; R52-K89 PolarHBondContact O-NZ 3.04Å; I80-K89 HydrophobicContact CG2-CB 4.18Å; I80-K89 HydrophobicContact CG2-CD 4.28Å; I80-K89 HydrophobicContact CG2-CG 3.94Å; I81-K89 CarbonylContact O-C 3.56Å; W82-K89 HydrophobicContact CE3-CG 3.78Å; W82-K89 HydrophobicContact CH2-CD 4.36Å; W82-K89 HydrophobicContact CH2-CG 4.16Å; W82-K89 HydrophobicContact CZ3-CD 4.14Å; W82-K89 HydrophobicContact CZ3-CG 3.55Å
90	M	94.8	Very high	96.2	Very high	102 Å²	102	58.8 Å²	58.8	50%	0.502	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-43.8	176.2	-65.7	-56.5	-61.5	0	0	110.7	L69 I81 D83	L69-M90 HydrophobicContact CD2-CG 3.98Å; I81-M90 HydrophobicContact CB-CB 4.44Å; I81-M90 HydrophobicContact CG2-CB 4.15Å; I81-M90 PolarHBondContact O-N 3.04Å; D83-M90 HydrophobicContact CB-CG 4.29Å; D83-M90 HydrophobicContact CB-SD 4.43Å
91	H	94.8	Very high	96.2	Very high	57 Å²	57	60.7 Å²	60.7	26%	0.264	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149	176.1	-60.2	-74.5	0	0	0	110.5	I80 I81 I93 V133	I80-H91 WeakPolarHBondContact CA-O 3.49Å; I80-H91 WeakPolarHBondContact CG2-O 3.46Å; I81-H91 HydrophobicContact CB-CB 4.2Å; I81-H91 HydrophobicContact CD1-CB 4.2Å; I81-H91 HydrophobicContact CG1-CB 4.36Å; I81-H91 PolarHBondContact N-O 2.9Å; I81-H91 PolarHBondContact O-N 3.35Å; H91-I93 HydrophobicContact CB-CG1 4.4Å; H91-V133 WeakPolarHBondContact ND1-CG2 3.31Å
92	A	95.6	Very high	96.2	Very high	62 Å²	62	60.9 Å²	60.9	51%	0.512	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	99.4	168.8	0	0	0	0	0	107.8	I80	I80-A92 HydrophobicContact CG1-CB 4.41Å
93	I	96	Very high	96.2	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.7	-172.8	-56.5	162.8	0	0	0	107.8	K78 L79 H91 V112 Y124 L126 V133	K78-I93 WeakPolarHBondContact CA-O 3.44Å; L79-I93 HydrophobicContact CB-CB 4.22Å; L79-I93 HydrophobicContact CD2-CD1 4.21Å; L79-I93 PolarHBondContact N-O 2.64Å; L79-I93 PolarHBondContact O-N 2.89Å; H91-I93 HydrophobicContact CB-CG1 4.4Å; I93-V112 HydrophobicContact CD1-CG2 3.94Å; I93-Y124 HydrophobicContact CD1-CG 4.38Å; I93-Y124 HydrophobicContact CG2-CD1 3.59Å; I93-Y124 HydrophobicContact CG2-CE1 3.45Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.45Å; I93-Y124 HydrophobicContact CG2-CG 4.31Å; I93-L126 HydrophobicContact CD1-CD2 4.24Å; I93-V133 HydrophobicContact CD1-CB 4.46Å; I93-V133 HydrophobicContact CD1-CG1 3.63Å; I93-V133 HydrophobicContact CG1-CB 4.15Å; I93-V133 HydrophobicContact CG1-CG1 3.79Å
94	P	95.8	Very high	96.2	Very high	107 Å²	107	60.5 Å²	60.5	70%	0.695	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.9	172	30.2	-32.3	0	0	0	109.9
95	L	95.3	Very high	96.2	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.131	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-89.7	151.9	177.4	-56.7	-177.7	0	0	0	110.3	G77 L79 S97 V100 C114 Y124	G77-L95 WeakPolarHBondContact O-CB 3.45Å; G77-L95 PolarHBondContact O-N 3.09Å; L79-L95 HydrophobicContact CB-CD1 4.45Å; L79-L95 HydrophobicContact CB-CD2 3.95Å; L79-L95 HydrophobicContact CB-CG 4.36Å; L95-S97 VanDerWaalsContact CB-O 3.32Å; L95-S97 WeakPolarHBondContact CB-O 3.26Å; L95-V100 HydrophobicContact CD1-CB 3.84Å; L95-V100 HydrophobicContact CD1-CG1 4.09Å; L95-V100 HydrophobicContact CD1-CG2 4.01Å; L95-C114 WeakPolarHBondContact CD2-SG 3.3Å; L95-Y124 HydrophobicContact CD2-CE2 4.22Å; L95-Y124 VanDerWaalsContact CD2-OH 3.28Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.27Å
96	R	90.8	Very high	96.3	Very high	193 Å²	193	54.5 Å²	54.5	73%	0.728	28%	0.281	S	S	*	.	S	Bend	trans	-72.8	-42.4	173.3	-69.2	-174.4	-177.2	163.5	12.5	111.5	E138	R96-E138 IonicContact CZ-OE1 3.21Å; R96-E138 IonicContact NE-OE1 2.68Å; R96-E138 VanDerWaalsContact NH1-CD 3.3Å; R96-E138 IonicContact NH1-OE1 2.7Å; R96-E138 PolarHBondContact NH1-OE1 3.35Å; R96-E138 IonicContact NH1-OE2 3.96Å; R96-E138 PolarHBondContact NH1-OE2 3.47Å; R96-E138 IonicContact NH2-OE1 3.06Å; R96-E138 PolarHBondContact NH2-OE1 3.27Å
97	S	92.3	Very high	96.2	Very high	26 Å²	26	53.7 Å²	53.7	18%	0.182	28%	0.277	C	S	.	.			trans	-98.3	132.1	173.3	-176.2	0	0	0	0	110.1	L95 W99 D118	L95-S97 VanDerWaalsContact CB-O 3.32Å; L95-S97 WeakPolarHBondContact CB-O 3.26Å; S97-W99 VanDerWaalsContact C-N 3.31Å; S97-W99 PolarHBondContact OG-N 2.95Å; S97-D118 VanDerWaalsContact CB-OD2 3.25Å; S97-D118 WeakPolarHBondContact CB-OD2 3.5Å
98	S	92.5	Very high	96.2	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-74.1	-24.8	173.9	57.7	0	0	0	0	112.3	Q75 V100	Q75-S98 CarbonylContact C-O 3.53Å; Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.29Å; S98-V100 VanDerWaalsContact C-N 3.28Å; S98-V100 PolarHBondContact O-N 3.4Å
99	W	94.7	Very high	96	Very high	133 Å²	133	50 Å²	50	50%	0.504	26%	0.264	S	S	.	.			trans	-88.6	64.3	-172.9	-65.2	95.3	0	0	0	111.8	Q75 S97 G116 L117	Q75-W99 VanDerWaalsContact NE2-CE3 3.26Å; S97-W99 VanDerWaalsContact C-N 3.31Å; S97-W99 PolarHBondContact OG-N 2.95Å; W99-G116 WeakPolarHBondContact O-CA 3.14Å; W99-L117 HydrophobicContact CB-CB 3.84Å; W99-L117 HydrophobicContact CB-CD1 3.67Å; W99-L117 HydrophobicContact CB-CG 3.77Å; W99-L117 HydrophobicContact CD2-CD1 3.9Å; W99-L117 HydrophobicContact CE3-CD1 3.97Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.42Å; W99-L117 PolarHBondContact O-N 3.06Å
100	V	97.3	Very high	95.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.8	174.7	68.1	0	0	0	0	110.7	A73 S74 L95 S98 T102 C114 G115	A73-V100 HydrophobicContact CB-CB 4.38Å; A73-V100 HydrophobicContact CB-CG1 3.73Å; A73-V100 HydrophobicContact CB-CG2 3.71Å; S74-V100 WeakPolarHBondContact O-CG1 3.48Å; L95-V100 HydrophobicContact CD1-CB 3.84Å; L95-V100 HydrophobicContact CD1-CG1 4.09Å; L95-V100 HydrophobicContact CD1-CG2 4.01Å; S98-V100 VanDerWaalsContact C-N 3.28Å; S98-V100 PolarHBondContact O-N 3.4Å; V100-T102 WeakPolarHBondContact CG2-O 3.49Å; V100-C114 HydrophobicContact CG2-CB 3.88Å; V100-G115 WeakPolarHBondContact CG2-O 3.33Å
101	M	98.3	Very high	96	Very high	44 Å²	44	44.4 Å²	44.4	22%	0.217	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-28.4	178.5	-66	178.7	68.1	0	0	111.7	G115 L117 Y145 L146	M101-G115 PolarHBondContact N-O 2.79Å; M101-L117 HydrophobicContact SD-CD2 3.91Å; M101-L117 HydrophobicContact SD-CG 4.44Å; M101-Y145 HydrophobicContact CE-CD2 3.56Å; M101-Y145 HydrophobicContact CE-CE2 3.64Å; M101-Y145 HydrophobicContact CE-CG 4.48Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.25Å; M101-Y145 HydrophobicContact SD-CG 4.04Å; M101-L146 WeakPolarHBondContact CB-O 3.37Å
102	T	98.6	Very high	96.2	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.6	-178	-165.5	0	0	0	0	113.3	V100 C114 G115 L146 S147 C148 C149	V100-T102 WeakPolarHBondContact CG2-O 3.49Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.14Å; T102-C114 VanDerWaalsContact O-CB 3.31Å; T102-C114 WeakPolarHBondContact O-CB 3.37Å; T102-G115 PolarHBondContact N-O 2.8Å; T102-G115 PolarHBondContact O-N 2.86Å; T102-L146 HydrophobicContact CG2-CD2 3.77Å; T102-L146 HydrophobicContact CG2-CG 4.16Å; T102-S147 WeakPolarHBondContact CB-O 3.35Å; T102-C148 WeakPolarHBondContact OG1-CA 3.2Å; T102-C149 HydrophobicContact CG2-CB 4.29Å; T102-C149 PolarHBondContact OG1-N 3.41Å
103	C	98.6	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.9	161.3	60.4	0	0	0	0	111.2	V71 A73 L79 A113 C114 R150	V71-C103 HydrophobicContact CG1-CB 4.33Å; A73-C103 HydrophobicContact CB-CB 3.91Å; L79-C103 HydrophobicContact CD1-CB 3.56Å; C103-A113 CarbonylContact C-O 3.55Å; C103-A113 WeakPolarHBondContact CA-O 3.16Å; C103-A113 WeakPolarHBondContact CB-O 3.17Å; C103-C114 HydrophobicContact CB-CB 4.34Å; C103-R150 PolarHBondContact O-NH1 3.17Å
104	A	98.8	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.4	176.5	0	0	0	0	0	110.6	V112 A113 C149 F151	A104-V112 CarbonylContact O-C 3.55Å; A104-V112 WeakPolarHBondContact O-CA 3.11Å; A104-A113 HydrophobicContact CB-CB 4.39Å; A104-A113 PolarHBondContact N-O 3.11Å; A104-A113 PolarHBondContact O-N 2.94Å; A104-C149 WeakPolarHBondContact CB-O 3.31Å; A104-F151 HydrophobicContact CB-CD2 3.83Å; A104-F151 HydrophobicContact CB-CE2 3.96Å
105	Y	98.4	Very high	96.5	Very high	16 Å²	16	33.7 Å²	33.7	6%	0.063	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.4	173.6	-152.3	-58.9	0	0	0	107.9	H62 L69 V71 I81 V112 L126	H62-Y105 WeakPolarHBondContact ND1-CB 3.28Å; H62-Y105 PolarHBondContact ND1-N 2.81Å; H62-Y105 VanDerWaalsContact ND1-N 3.11Å; L69-Y105 HydrophobicContact CB-CE2 4.27Å; V71-Y105 HydrophobicContact CB-CD2 3.96Å; V71-Y105 HydrophobicContact CG1-CD2 3.94Å; V71-Y105 HydrophobicContact CG1-CG 4.48Å; I81-Y105 HydrophobicContact CG2-CE2 4.15Å; Y105-V112 HydrophobicContact CD2-CG1 3.92Å; Y105-V112 HydrophobicContact CE2-CG1 4.12Å; Y105-V112 HydrophobicContact CG-CG1 4.16Å; Y105-L126 HydrophobicContact CE1-CD1 4.44Å
106	A	98.2	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.			trans	-68.6	140.2	179.8	0	0	0	0	0	111.4	S108 G109 Y111 F151	A106-S108 PolarHBondContact O-N 2.78Å; A106-G109 PolarHBondContact O-N 3.32Å; A106-Y111 WeakPolarHBondContact CB-O 3.24Å; A106-Y111 PolarHBondContact N-O 2.95Å; A106-F151 HydrophobicContact CB-CB 4.3Å; A106-F151 HydrophobicContact CB-CD1 4.11Å; A106-F151 HydrophobicContact CB-CD2 3.81Å; A106-F151 HydrophobicContact CB-CE1 4.33Å; A106-F151 HydrophobicContact CB-CE2 4.06Å; A106-F151 HydrophobicContact CB-CG 3.83Å; A106-F151 HydrophobicContact CB-CZ 4.31Å
107	P	97.2	Very high	96.9	Very high	43 Å²	43	27.5 Å²	27.5	28%	0.279	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.2	-177.7	-28.8	34.3	0	0	0	114.9	T65	T65-P107 HydrophobicContact CG2-CB 4.14Å; T65-P107 PolarHBondContact OG1-O 2.97Å
108	S	96.4	Very high	97.1	Very high	50 Å²	50	28.7 Å²	28.7	35%	0.35	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.8	-179.3	67.3	0	0	0	0	115.3	A106 N110 D154	A106-S108 PolarHBondContact O-N 2.78Å; S108-N110 VanDerWaalsContact C-N 3.34Å; S108-N110 WeakPolarHBondContact CB-ND2 3.06Å; S108-N110 VanDerWaalsContact OG-CB 3.3Å; S108-N110 WeakPolarHBondContact OG-CB 3.29Å; S108-N110 PolarHBondContact OG-N 3.03Å; S108-N110 PolarHBondContact OG-ND2 3.04Å; S108-D154 WeakPolarHBondContact CB-OD1 3.34Å; S108-D154 WeakPolarHBondContact CB-OD2 3.24Å; S108-D154 PolarHBondContact OG-OD1 3.49Å; S108-D154 PolarHBondContact OG-OD2 2.64Å; S108-D154 VanDerWaalsContact OG-OD2 3.08Å
109	G	95.3	Very high	97.4	Very high	23 Å²	23	28.4 Å²	28.4	24%	0.237	15%	0.149	C	C	.	.	S	Bend	trans	90	-10	-167.7	0	0	0	0	0	114.9	A106	A106-G109 PolarHBondContact O-N 3.32Å
110	N	94.3	Very high	97.5	Very high	34 Å²	34	24.3 Å²	24.3	18%	0.182	14%	0.136	C	C	.	.	S	Bend	trans	-90.7	-30	-163.4	-63.2	-30.6	0	0	0	114.3	S108 L126 K127 D154	S108-N110 VanDerWaalsContact C-N 3.34Å; S108-N110 WeakPolarHBondContact CB-ND2 3.06Å; S108-N110 VanDerWaalsContact OG-CB 3.3Å; S108-N110 WeakPolarHBondContact OG-CB 3.29Å; S108-N110 PolarHBondContact OG-N 3.03Å; S108-N110 PolarHBondContact OG-ND2 3.04Å; N110-L126 WeakPolarHBondContact O-CB 3.25Å; N110-L126 PolarHBondContact O-N 3.08Å; N110-K127 VanDerWaalsContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CD 3.33Å; N110-K127 WeakPolarHBondContact OD1-CE 3.34Å; N110-K127 PolarHBondContact OD1-NZ 2.5Å; N110-D154 PolarHBondContact ND2-OD2 3.05Å
111	Y	97.1	Very high	97.5	Very high	54 Å²	54	24.2 Å²	24.2	21%	0.212	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.7	-172.3	-59.5	-86.9	0	0	0	112.3	A106 I123 Y124 C125 D154	A106-Y111 WeakPolarHBondContact CB-O 3.24Å; A106-Y111 PolarHBondContact N-O 2.95Å; Y111-I123 HydrophobicContact CD1-CG2 3.81Å; Y111-I123 HydrophobicContact CG-CG2 4.32Å; Y111-Y124 VanDerWaalsContact CA-O 3.25Å; Y111-Y124 WeakPolarHBondContact CA-O 3.14Å; Y111-C125 HydrophobicContact CD1-CB 4.02Å; Y111-C125 HydrophobicContact CE1-CB 3.74Å; Y111-D154 HydrophobicContact CD2-CB 4.09Å; Y111-D154 HydrophobicContact CE2-CB 3.83Å
112	V	98.3	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.2	162.1	-66.7	0	0	0	0	109.2	V71 L79 I81 I93 A104 Y105 Y124 L126	V71-V112 HydrophobicContact CB-CG1 4.24Å; V71-V112 HydrophobicContact CG1-CG1 4.44Å; V71-V112 HydrophobicContact CG2-CB 4.49Å; V71-V112 HydrophobicContact CG2-CG1 4.22Å; L79-V112 HydrophobicContact CD2-CB 4.21Å; L79-V112 HydrophobicContact CD2-CG2 3.65Å; I81-V112 HydrophobicContact CD1-CG1 3.88Å; I81-V112 HydrophobicContact CD1-CG2 4.35Å; I93-V112 HydrophobicContact CD1-CG2 3.94Å; A104-V112 CarbonylContact O-C 3.55Å; A104-V112 WeakPolarHBondContact O-CA 3.11Å; Y105-V112 HydrophobicContact CD2-CG1 3.92Å; Y105-V112 HydrophobicContact CE2-CG1 4.12Å; Y105-V112 HydrophobicContact CG-CG1 4.16Å; V112-Y124 HydrophobicContact CG2-CD2 4.33Å; V112-Y124 HydrophobicContact CG2-CG 4.43Å; V112-Y124 PolarHBondContact N-O 3.04Å; V112-Y124 PolarHBondContact O-N 2.88Å; V112-L126 HydrophobicContact CG1-CD1 4.05Å; V112-L126 HydrophobicContact CG2-CD2 3.94Å
113	A	98.5	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.6	174.2	0	0	0	0	0	110.4	C103 A104 S122 I123 F151 I157	C103-A113 CarbonylContact C-O 3.55Å; C103-A113 WeakPolarHBondContact CA-O 3.16Å; C103-A113 WeakPolarHBondContact CB-O 3.17Å; A104-A113 HydrophobicContact CB-CB 4.39Å; A104-A113 PolarHBondContact N-O 3.11Å; A104-A113 PolarHBondContact O-N 2.94Å; A113-S122 CarbonylContact C-O 3.56Å; A113-S122 VanDerWaalsContact CA-O 3.24Å; A113-S122 WeakPolarHBondContact CA-O 3.42Å; A113-I123 HydrophobicContact CB-CG1 4.26Å; A113-F151 HydrophobicContact CB-CE2 3.56Å; A113-F151 HydrophobicContact CB-CZ 3.57Å; A113-I157 HydrophobicContact CB-CD1 3.6Å
114	C	98.4	Very high	97.4	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.034	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.5	166.5	70.7	0	0	0	0	111.4	L79 L95 V100 T102 C103 S122	L79-C114 HydrophobicContact CD1-CB 4.19Å; L79-C114 HydrophobicContact CD2-CB 4.25Å; L95-C114 WeakPolarHBondContact CD2-SG 3.3Å; V100-C114 HydrophobicContact CG2-CB 3.88Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.14Å; T102-C114 VanDerWaalsContact O-CB 3.31Å; T102-C114 WeakPolarHBondContact O-CB 3.37Å; C103-C114 HydrophobicContact CB-CB 4.34Å; C114-S122 PolarHBondContact N-O 2.96Å; C114-S122 PolarHBondContact O-N 2.95Å
115	G	97.9	Very high	97.1	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	174.1	169.5	0	0	0	0	0	111.4	V100 M101 T102 I120	V100-G115 WeakPolarHBondContact CG2-O 3.33Å; M101-G115 PolarHBondContact N-O 2.79Å; T102-G115 PolarHBondContact N-O 2.8Å; T102-G115 PolarHBondContact O-N 2.86Å; G115-I120 WeakPolarHBondContact CA-O 3.35Å
116	G	97.4	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-124.6	176	0	0	0	0	0	112.1	W99 D118 N119 Y145 L146	W99-G116 WeakPolarHBondContact O-CA 3.14Å; G116-D118 PolarHBondContact N-OD1 3.31Å; G116-D118 VanDerWaalsContact N-OD1 3.11Å; G116-D118 PolarHBondContact O-N 2.82Å; G116-D118 VanDerWaalsContact O-N 3.1Å; G116-N119 PolarHBondContact O-N 3.25Å; G116-N119 VanDerWaalsContact O-N 3.12Å; G116-Y145 WeakPolarHBondContact O-CA 3.34Å; G116-L146 PolarHBondContact O-N 2.79Å
117	L	97.2	Very high	96	Very high	88 Å²	88	30.8 Å²	30.8	46%	0.461	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-3.8	-175.3	-61.1	-174.9	0	0	0	114.6	W99 M101 N119 Y145	W99-L117 HydrophobicContact CB-CB 3.84Å; W99-L117 HydrophobicContact CB-CD1 3.67Å; W99-L117 HydrophobicContact CB-CG 3.77Å; W99-L117 HydrophobicContact CD2-CD1 3.9Å; W99-L117 HydrophobicContact CE3-CD1 3.97Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.42Å; W99-L117 PolarHBondContact O-N 3.06Å; M101-L117 HydrophobicContact SD-CD2 3.91Å; M101-L117 HydrophobicContact SD-CG 4.44Å; L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-OD1 2.9Å; L117-Y145 HydrophobicContact CD2-CD1 4.46Å; L117-Y145 HydrophobicContact CD2-CG 4.13Å
118	D	96.4	Very high	94.6	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.273	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.8	172.2	56.1	-4.4	0	0	0	113.2	S97 G116 I120	S97-D118 VanDerWaalsContact CB-OD2 3.25Å; S97-D118 WeakPolarHBondContact CB-OD2 3.5Å; G116-D118 PolarHBondContact N-OD1 3.31Å; G116-D118 VanDerWaalsContact N-OD1 3.11Å; G116-D118 PolarHBondContact O-N 2.82Å; G116-D118 VanDerWaalsContact O-N 3.1Å; D118-I120 WeakPolarHBondContact O-CG1 3.39Å; D118-I120 PolarHBondContact O-N 2.85Å; D118-I120 VanDerWaalsContact O-N 3.09Å
119	N	97.3	Very high	93.1	Very high	46 Å²	46	40.9 Å²	40.9	25%	0.246	20%	0.197	C	C	.	.			trans	60.6	14.8	178.8	-51.6	-4.7	0	0	0	113.8	G116 L117 T143 G144 Y145	G116-N119 PolarHBondContact O-N 3.25Å; G116-N119 VanDerWaalsContact O-N 3.12Å; L117-N119 VanDerWaalsContact C-N 3.28Å; L117-N119 PolarHBondContact O-OD1 2.9Å; N119-T143 PolarHBondContact ND2-O 3.09Å; N119-G144 WeakPolarHBondContact CB-O 3.26Å; N119-G144 PolarHBondContact OD1-O 2.77Å; N119-Y145 VanDerWaalsContact OD1-CA 3.31Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.46Å; N119-Y145 PolarHBondContact OD1-N 3.29Å
120	I	97.4	Very high	91.6	Very high	47 Å²	47	46 Å²	46	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.2	-175.7	-66.4	166	0	0	0	108.9	G115 D118 E138 P140	G115-I120 WeakPolarHBondContact CA-O 3.35Å; D118-I120 WeakPolarHBondContact O-CG1 3.39Å; D118-I120 PolarHBondContact O-N 2.85Å; D118-I120 VanDerWaalsContact O-N 3.09Å; I120-E138 HydrophobicContact CG2-CB 3.9Å; I120-E138 HydrophobicContact CG2-CG 4.36Å; I120-P140 HydrophobicContact CG1-CB 4.4Å
121	C	98.1	Very high	90.4	Very high	1 Å²	1	47 Å²	47	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.5	164.9	-167.3	0	0	0	0	109.6	L139 L146 T159	C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.27Å; C121-L139 PolarHBondContact N-O 2.95Å; C121-L139 PolarHBondContact O-N 2.99Å; C121-L146 HydrophobicContact CB-CD2 3.64Å; C121-T159 HydrophobicContact CB-CG2 4.06Å
122	S	97.9	Very high	89.4	Confident	8 Å²	8	49.6 Å²	49.6	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.8	177.9	-64.3	0	0	0	0	110.3	A113 C114	A113-S122 CarbonylContact C-O 3.56Å; A113-S122 VanDerWaalsContact CA-O 3.24Å; A113-S122 WeakPolarHBondContact CA-O 3.42Å; C114-S122 PolarHBondContact N-O 2.96Å; C114-S122 PolarHBondContact O-N 2.95Å
123	I	97.7	Very high	88.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.5	-179.5	-61.7	171.1	0	0	0	109.3	Y111 A113 S136 R137 L139 F151 I157 I171	Y111-I123 HydrophobicContact CD1-CG2 3.81Å; Y111-I123 HydrophobicContact CG-CG2 4.32Å; A113-I123 HydrophobicContact CB-CG1 4.26Å; I123-S136 WeakPolarHBondContact O-CB 3.44Å; I123-S136 PolarHBondContact O-N 2.9Å; I123-R137 HydrophobicContact CB-CB 4.32Å; I123-R137 PolarHBondContact N-O 2.96Å; I123-R137 PolarHBondContact O-N 2.79Å; I123-L139 HydrophobicContact CD1-CD1 3.7Å; I123-L139 HydrophobicContact CD1-CG 4.18Å; I123-F151 HydrophobicContact CD1-CE1 4.5Å; I123-F151 HydrophobicContact CG1-CZ 4.5Å; I123-F151 HydrophobicContact CG2-CE1 4.47Å; I123-F151 HydrophobicContact CG2-CZ 4.32Å; I123-I157 HydrophobicContact CD1-CG2 4.32Å; I123-I171 HydrophobicContact CD1-CB 4.12Å; I123-I171 HydrophobicContact CD1-CD1 3.79Å; I123-I171 HydrophobicContact CD1-CG1 3.56Å; I123-I171 HydrophobicContact CD1-CG2 3.58Å
124	Y	96.5	Very high	88	Confident	8 Å²	8	57.9 Å²	57.9	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.5	-177.3	-58.5	-96.3	0	0	0	110.1	L79 I93 L95 Y111 V112 V133 V135	L79-Y124 HydrophobicContact CD2-CD2 4.34Å; I93-Y124 HydrophobicContact CD1-CG 4.38Å; I93-Y124 HydrophobicContact CG2-CD1 3.59Å; I93-Y124 HydrophobicContact CG2-CE1 3.45Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.45Å; I93-Y124 HydrophobicContact CG2-CG 4.31Å; L95-Y124 HydrophobicContact CD2-CE2 4.22Å; L95-Y124 VanDerWaalsContact CD2-OH 3.28Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.27Å; Y111-Y124 VanDerWaalsContact CA-O 3.25Å; Y111-Y124 WeakPolarHBondContact CA-O 3.14Å; V112-Y124 HydrophobicContact CG2-CD2 4.33Å; V112-Y124 HydrophobicContact CG2-CG 4.43Å; V112-Y124 PolarHBondContact N-O 3.04Å; V112-Y124 PolarHBondContact O-N 2.88Å; Y124-V133 HydrophobicContact CD1-CG1 4.38Å; Y124-V135 HydrophobicContact CD1-CG2 4.02Å; Y124-V135 HydrophobicContact CE1-CB 4.33Å; Y124-V135 HydrophobicContact CE1-CG2 3.4Å
125	C	94.1	Very high	87.5	Confident	23 Å²	23	60 Å²	60	16%	0.155	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.1	173	-178.2	0	0	0	0	109.7	Y111 T128	Y111-C125 HydrophobicContact CD1-CB 4.02Å; Y111-C125 HydrophobicContact CE1-CB 3.74Å; C125-T128 HydrophobicContact CB-CG2 4.46Å
126	L	90.6	Very high	87	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.094	31%	0.311	C	S	.	.	S	Bend	trans	-82.1	-29.1	179.8	-57.2	-175.5	0	0	0	112.6	I81 I93 Y105 N110 V112 T128 V133	I81-L126 HydrophobicContact CD1-CD1 3.44Å; I81-L126 VanDerWaalsContact CD1-CD1 3.44Å; I81-L126 HydrophobicContact CD1-CD2 3.33Å; I81-L126 HydrophobicContact CD1-CG 4.01Å; I93-L126 HydrophobicContact CD1-CD2 4.24Å; Y105-L126 HydrophobicContact CE1-CD1 4.44Å; N110-L126 WeakPolarHBondContact O-CB 3.25Å; N110-L126 PolarHBondContact O-N 3.08Å; V112-L126 HydrophobicContact CG1-CD1 4.05Å; V112-L126 HydrophobicContact CG2-CD2 3.94Å; L126-T128 PolarHBondContact O-N 3Å; L126-V133 HydrophobicContact CD2-CG1 4.2Å; L126-V133 HydrophobicContact CD2-CG2 4.34Å
127	K	81.2	Confident	86.8	Confident	145 Å²	145	66.9 Å²	66.9	63%	0.63	33%	0.33	S	S	*	.			trans	-92.5	76.4	178.9	-67.5	-174.3	-177	161.8	0	110.4	N110	N110-K127 VanDerWaalsContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CD 3.33Å; N110-K127 WeakPolarHBondContact OD1-CE 3.34Å; N110-K127 PolarHBondContact OD1-NZ 2.5Å
128	T	68.9	Low	86.8	Confident	45 Å²	45	65.4 Å²	65.4	28%	0.276	32%	0.321	S	S	.	.			trans	-99.9	136.1	171.2	62.4	0	0	0	0	110.9	C125 L126 E130 G131 N132	C125-T128 HydrophobicContact CB-CG2 4.46Å; L126-T128 PolarHBondContact O-N 3Å; T128-E130 PolarHBondContact O-N 2.99Å; T128-E130 VanDerWaalsContact O-N 3.16Å; T128-G131 PolarHBondContact O-N 2.91Å; T128-N132 PolarHBondContact OG1-O 3.3Å
129	R	63.6	Low	86.8	Confident	260 Å²	260	63 Å²	63	98%	0.981	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21	175.5	-68.2	-176.8	179.1	-178.3	0.2	112.8
130	E	63.8	Low	86.6	Confident	130 Å²	130	64.7 Å²	64.7	61%	0.607	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.3	-174.6	-63.8	171.9	-162.7	0	0	113.2	T128 N132 R134	T128-E130 PolarHBondContact O-N 2.99Å; T128-E130 VanDerWaalsContact O-N 3.16Å; E130-N132 PolarHBondContact O-N 3.39Å; E130-R134 IonicContact OE2-CZ 3.66Å; E130-R134 IonicContact OE2-NH1 2.81Å; E130-R134 PolarHBondContact OE2-NH1 2.73Å; E130-R134 IonicContact OE2-NH2 3.98Å; E130-R134 PolarHBondContact OE2-NH2 3.36Å
131	G	69.4	Low	86.1	Confident	56 Å²	56	64.7 Å²	64.7	58%	0.577	33%	0.333	S	S	*	.	S	Bend	trans	74.4	-18.9	178.1	0	0	0	0	0	115.7	T128	T128-G131 PolarHBondContact O-N 2.91Å
132	N	77.7	Confident	86.1	Confident	109 Å²	109	65.3 Å²	65.3	58%	0.583	34%	0.336	S	S	*	.			trans	-91.4	124.8	175.3	-73.5	-16.9	0	0	0	111	T128 E130 R134	T128-N132 PolarHBondContact OG1-O 3.3Å; E130-N132 PolarHBondContact O-N 3.39Å; N132-R134 PolarHBondContact O-N 3.15Å
133	V	84.6	Confident	86	Confident	32 Å²	32	70.7 Å²	70.7	19%	0.194	37%	0.368	C	S	.	.			trans	-72.1	123.9	172.9	179.8	0	0	0	0	108.7	H91 I93 Y124 L126	H91-V133 WeakPolarHBondContact ND1-CG2 3.31Å; I93-V133 HydrophobicContact CD1-CB 4.46Å; I93-V133 HydrophobicContact CD1-CG1 3.63Å; I93-V133 HydrophobicContact CG1-CB 4.15Å; I93-V133 HydrophobicContact CG1-CG1 3.79Å; Y124-V133 HydrophobicContact CD1-CG1 4.38Å; L126-V133 HydrophobicContact CD2-CG1 4.2Å; L126-V133 HydrophobicContact CD2-CG2 4.34Å
134	R	82.4	Confident	86	Confident	142 Å²	142	71.3 Å²	71.3	54%	0.536	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	157.4	177.1	-66.6	-172.4	-176.6	139.3	12.4	110.3	E130 N132 S136	E130-R134 IonicContact OE2-CZ 3.66Å; E130-R134 IonicContact OE2-NH1 2.81Å; E130-R134 PolarHBondContact OE2-NH1 2.73Å; E130-R134 IonicContact OE2-NH2 3.98Å; E130-R134 PolarHBondContact OE2-NH2 3.36Å; N132-R134 PolarHBondContact O-N 3.15Å; R134-S136 PolarHBondContact O-N 2.85Å
135	V	86.8	Confident	86.1	Confident	50 Å²	50	73.2 Å²	73.2	30%	0.303	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	120.1	167.4	-177	0	0	0	0	107.6	Y124 R137 E138	Y124-V135 HydrophobicContact CD1-CG2 4.02Å; Y124-V135 HydrophobicContact CE1-CB 4.33Å; Y124-V135 HydrophobicContact CE1-CG2 3.4Å; V135-R137 WeakPolarHBondContact CG1-O 3.26Å; V135-E138 HydrophobicContact CG1-CG 3.67Å
136	S	88.1	Confident	86.3	Confident	41 Å²	41	72.1 Å²	72.1	29%	0.287	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-43.6	176	-166.7	0	0	0	0	110.8	I123 R134	I123-S136 WeakPolarHBondContact O-CB 3.44Å; I123-S136 PolarHBondContact O-N 2.9Å; R134-S136 PolarHBondContact O-N 2.85Å
137	R	94	Very high	86.7	Confident	105 Å²	105	71.8 Å²	71.8	40%	0.396	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.5	-177.2	-65.7	-67.9	-176.5	-104.4	7.9	110.4	I123 V135 I171 E172 S174	I123-R137 HydrophobicContact CB-CB 4.32Å; I123-R137 PolarHBondContact N-O 2.96Å; I123-R137 PolarHBondContact O-N 2.79Å; V135-R137 WeakPolarHBondContact CG1-O 3.26Å; R137-I171 HydrophobicContact CB-CG2 4.46Å; R137-I171 HydrophobicContact CG-CG2 4.07Å; R137-I171 WeakPolarHBondContact CG-O 3.42Å; R137-E172 PolarHBondContact NE-O 2.95Å; R137-S174 WeakPolarHBondContact CD-OG 3.4Å
138	E	96	Very high	87.5	Confident	56 Å²	56	65.2 Å²	65.2	26%	0.262	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	167.5	-66.7	178.8	178.2	0	0	106.6	R96 I120 V135 P140 S174	R96-E138 IonicContact CZ-OE1 3.21Å; R96-E138 IonicContact NE-OE1 2.68Å; R96-E138 VanDerWaalsContact NH1-CD 3.3Å; R96-E138 IonicContact NH1-OE1 2.7Å; R96-E138 PolarHBondContact NH1-OE1 3.35Å; R96-E138 IonicContact NH1-OE2 3.96Å; R96-E138 PolarHBondContact NH1-OE2 3.47Å; R96-E138 IonicContact NH2-OE1 3.06Å; R96-E138 PolarHBondContact NH2-OE1 3.27Å; I120-E138 HydrophobicContact CG2-CB 3.9Å; I120-E138 HydrophobicContact CG2-CG 4.36Å; V135-E138 HydrophobicContact CG1-CG 3.67Å; E138-P140 VanDerWaalsContact C-CD 3.46Å; E138-P140 WeakPolarHBondContact O-CD 3.4Å; E138-S174 PolarHBondContact O-OG 3.37Å
139	L	96.8	Very high	88.9	Confident	1 Å²	1	63 Å²	63	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	86.3	-178.6	-54.5	179.3	0	0	0	108.5	C121 I123 I157 W169	C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.27Å; C121-L139 PolarHBondContact N-O 2.95Å; C121-L139 PolarHBondContact O-N 2.99Å; I123-L139 HydrophobicContact CD1-CD1 3.7Å; I123-L139 HydrophobicContact CD1-CG 4.18Å; L139-I157 HydrophobicContact CD1-CG2 3.58Å; L139-W169 HydrophobicContact CB-CD2 4.11Å; L139-W169 HydrophobicContact CB-CE3 3.86Å; L139-W169 HydrophobicContact CB-CZ3 4.06Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 4.06Å; L139-W169 HydrophobicContact CD1-CE3 4.36Å; L139-W169 HydrophobicContact CD1-CG 3.81Å; L139-W169 HydrophobicContact CD2-CE3 4.26Å; L139-W169 HydrophobicContact CG-CE3 4.38Å
140	P	93.1	Very high	90.6	Very high	82 Å²	82	53.5 Å²	53.5	53%	0.532	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.6	172.9	33.5	-33.3	0	0	0	110.1	I120 E138	I120-P140 HydrophobicContact CG1-CB 4.4Å; E138-P140 VanDerWaalsContact C-CD 3.46Å; E138-P140 WeakPolarHBondContact O-CD 3.4Å
141	G	87.3	Confident	92.3	Very high	46 Å²	46	47.6 Å²	47.6	47%	0.474	27%	0.269	S	S	.	.			trans	165.1	-19.6	168.1	0	0	0	0	0	114.9
142	H	96.8	Very high	93.6	Very high	15 Å²	15	46 Å²	46	7%	0.069	25%	0.247	C	C	.	.			trans	-68.6	143.2	166.8	-78.4	-58.4	0	0	0	111.4	T159 S161 D163 T165	H142-T159 PolarHBondContact NE2-OG1 2.91Å; H142-S161 VanDerWaalsContact CE1-CB 3.43Å; H142-S161 WeakPolarHBondContact CE1-CB 3.47Å; H142-S161 VanDerWaalsContact CG-CB 3.47Å; H142-S161 WeakPolarHBondContact ND1-CB 3.33Å; H142-S161 PolarHBondContact ND1-OG 3.39Å; H142-D163 VanDerWaalsContact CA-OD2 3.28Å; H142-D163 WeakPolarHBondContact CA-OD2 3.31Å; H142-D163 VanDerWaalsContact CB-OD2 3.29Å; H142-D163 WeakPolarHBondContact CB-OD2 3.33Å; H142-D163 IonicContact CE1-OD2 3.45Å; H142-D163 IonicContact CG-OD2 2.71Å; H142-D163 IonicContact ND1-OD1 2.94Å; H142-D163 IonicContact ND1-OD2 3.48Å; H142-D163 PolarHBondContact ND1-OD2 3.46Å; H142-T165 PolarHBondContact CE1-OG1 2.89Å
143	T	97.4	Very high	94.6	Very high	121 Å²	121	44.1 Å²	44.1	74%	0.742	24%	0.237	S	C	*	.	S	Bend	trans	-98	-6	175.9	57.9	0	0	0	0	112.3	N119 D163	N119-T143 PolarHBondContact ND2-O 3.09Å; T143-D163 PolarHBondContact N-OD2 3.39Å; T143-D163 VanDerWaalsContact OG1-CB 3.25Å; T143-D163 WeakPolarHBondContact OG1-CB 3.25Å
144	G	97.6	Very high	95.2	Very high	13 Å²	13	44.3 Å²	44.3	13%	0.134	24%	0.237	C	C	.	.	S	Bend	trans	-123.5	176.5	174.4	0	0	0	0	0	111.9	N119 S161	N119-G144 WeakPolarHBondContact CB-O 3.26Å; N119-G144 PolarHBondContact OD1-O 2.77Å; G144-S161 PolarHBondContact O-OG 3.16Å
145	Y	98.1	Very high	95.8	Very high	48 Å²	48	41.5 Å²	41.5	19%	0.188	23%	0.233	C	C	.	.			trans	-65.4	146.7	-177.9	60.2	-94.4	0	0	0	111.6	M101 G116 L117 N119 S147 S161 G162 D186	M101-Y145 HydrophobicContact CE-CD2 3.56Å; M101-Y145 HydrophobicContact CE-CE2 3.64Å; M101-Y145 HydrophobicContact CE-CG 4.48Å; M101-Y145 HydrophobicContact SD-CD2 3.54Å; M101-Y145 VanDerWaalsContact SD-CD2 3.54Å; M101-Y145 HydrophobicContact SD-CE2 4.25Å; M101-Y145 HydrophobicContact SD-CG 4.04Å; G116-Y145 WeakPolarHBondContact O-CA 3.34Å; L117-Y145 HydrophobicContact CD2-CD1 4.46Å; L117-Y145 HydrophobicContact CD2-CG 4.13Å; N119-Y145 VanDerWaalsContact OD1-CA 3.31Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.46Å; N119-Y145 PolarHBondContact OD1-N 3.29Å; Y145-S147 PolarHBondContact O-N 2.88Å; Y145-S161 CarbonylContact O-C 3.44Å; Y145-S161 VanDerWaalsContact O-CA 3.24Å; Y145-S161 WeakPolarHBondContact O-CA 3.45Å; Y145-S161 PolarHBondContact O-OG 2.69Å; Y145-G162 PolarHBondContact O-N 2.89Å; Y145-D186 WeakPolarHBondContact CE1-OD2 3.28Å; Y145-D186 VanDerWaalsContact OH-CB 3.27Å; Y145-D186 WeakPolarHBondContact OH-CB 3.29Å; Y145-D186 PolarHBondContact OH-OD2 2.86Å
146	L	98.5	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.5	175.2	-158.3	75.9	0	0	0	110.1	M101 T102 G116 C121 C149 T159	M101-L146 WeakPolarHBondContact CB-O 3.37Å; T102-L146 HydrophobicContact CG2-CD2 3.77Å; T102-L146 HydrophobicContact CG2-CG 4.16Å; G116-L146 PolarHBondContact O-N 2.79Å; C121-L146 HydrophobicContact CB-CD2 3.64Å; L146-C149 HydrophobicContact CD2-CB 4.49Å; L146-T159 HydrophobicContact CD1-CG2 3.86Å; L146-T159 HydrophobicContact CD2-CG2 4.46Å
147	S	98.4	Very high	96.9	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-39.7	-176.6	61.1	0	0	0	0	113.1	T102 Y145 S160 V187 M188	T102-S147 WeakPolarHBondContact CB-O 3.35Å; Y145-S147 PolarHBondContact O-N 2.88Å; S147-S160 PolarHBondContact N-O 2.94Å; S147-S160 VanDerWaalsContact OG-C 3.31Å; S147-S160 WeakPolarHBondContact OG-CB 3.39Å; S147-S160 PolarHBondContact OG-O 3.4Å; S147-S160 VanDerWaalsContact OG-O 3.08Å; S147-S160 PolarHBondContact OG-OG 3.12Å; S147-V187 WeakPolarHBondContact CB-O 3.31Å; S147-V187 PolarHBondContact OG-O 2.78Å; S147-M188 WeakPolarHBondContact CB-O 3.43Å
148	C	98.8	Very high	97.1	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.6	178.4	-163.1	0	0	0	0	111.8	T102 T159 S160 L190	T102-C148 WeakPolarHBondContact OG1-CA 3.2Å; C148-T159 WeakPolarHBondContact O-CA 3.19Å; C148-S160 VanDerWaalsContact CB-OG 3.24Å; C148-S160 WeakPolarHBondContact CB-OG 3.26Å; C148-S160 PolarHBondContact N-OG 2.87Å; C148-S160 PolarHBondContact O-N 2.79Å; C148-L190 HydrophobicContact CB-CD2 4.39Å; C148-L190 HydrophobicContact CB-CG 4.15Å
149	C	98.6	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	148	169.7	65.6	0	0	0	0	111.7	T102 A104 L146 I157 I158 T159	T102-C149 HydrophobicContact CG2-CB 4.29Å; T102-C149 PolarHBondContact OG1-N 3.41Å; A104-C149 WeakPolarHBondContact CB-O 3.31Å; L146-C149 HydrophobicContact CD2-CB 4.49Å; C149-I157 HydrophobicContact CB-CD1 4.02Å; C149-I157 HydrophobicContact CB-CG1 4.41Å; C149-I158 CarbonylContact C-O 3.56Å; C149-I158 WeakPolarHBondContact CA-O 3.3Å; C149-T159 HydrophobicContact CB-CG2 3.96Å
150	R	98.8	Very high	97.3	Very high	59 Å²	59	32.6 Å²	32.6	22%	0.223	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132.5	174.6	-68.7	-65.6	179.5	-97.3	4	110.9	C103 I157 I158 L190 L192	C103-R150 PolarHBondContact O-NH1 3.17Å; R150-I157 WeakPolarHBondContact O-CG1 3.47Å; R150-I158 PolarHBondContact N-O 2.7Å; R150-I158 PolarHBondContact O-N 2.89Å; R150-L190 HydrophobicContact CB-CD1 3.82Å; R150-L190 HydrophobicContact CG-CD1 3.59Å; R150-L192 HydrophobicContact CB-CD1 3.52Å; R150-L192 HydrophobicContact CB-CG 4.03Å; R150-L192 HydrophobicContact CG-CD1 4.49Å
151	F	98.6	Very high	97.6	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.9	173	-71.1	-84.9	0	0	0	110.3	A104 A106 A113 I123 D153 I157 I171 L192	A104-F151 HydrophobicContact CB-CD2 3.83Å; A104-F151 HydrophobicContact CB-CE2 3.96Å; A106-F151 HydrophobicContact CB-CB 4.3Å; A106-F151 HydrophobicContact CB-CD1 4.11Å; A106-F151 HydrophobicContact CB-CD2 3.81Å; A106-F151 HydrophobicContact CB-CE1 4.33Å; A106-F151 HydrophobicContact CB-CE2 4.06Å; A106-F151 HydrophobicContact CB-CG 3.83Å; A106-F151 HydrophobicContact CB-CZ 4.31Å; A113-F151 HydrophobicContact CB-CE2 3.56Å; A113-F151 HydrophobicContact CB-CZ 3.57Å; I123-F151 HydrophobicContact CD1-CE1 4.5Å; I123-F151 HydrophobicContact CG1-CZ 4.5Å; I123-F151 HydrophobicContact CG2-CE1 4.47Å; I123-F151 HydrophobicContact CG2-CZ 4.32Å; F151-D153 WeakPolarHBondContact CD1-O 3.43Å; F151-I157 HydrophobicContact CD1-CB 4.1Å; F151-I157 HydrophobicContact CD1-CD1 4.14Å; F151-I157 HydrophobicContact CD1-CG1 4.24Å; F151-I157 HydrophobicContact CD2-CD1 4.3Å; F151-I157 HydrophobicContact CE1-CB 4.41Å; F151-I157 HydrophobicContact CE1-CD1 3.97Å; F151-I157 HydrophobicContact CE2-CD1 4.13Å; F151-I157 HydrophobicContact CG-CD1 4.31Å; F151-I157 HydrophobicContact CG-CG1 4.38Å; F151-I157 HydrophobicContact CZ-CD1 3.97Å; F151-I171 HydrophobicContact CD1-CD1 3.89Å; F151-I171 HydrophobicContact CE1-CD1 3.67Å; F151-L192 VanDerWaalsContact O-CD1 3.29Å; F151-L192 WeakPolarHBondContact O-CD1 3.48Å
152	I	98.1	Very high	98.1	Very high	23 Å²	23	27 Å²	27	12%	0.118	15%	0.146	C	C	.	.	S	Bend	trans	-84.2	-48.9	162.8	-64.2	176.9	0	0	0	108.3	Q156 I158 L168 L192 F196 I213	I152-Q156 HydrophobicContact CB-CB 4.04Å; I152-Q156 HydrophobicContact CD1-CB 4.27Å; I152-Q156 PolarHBondContact N-O 2.81Å; I152-I158 HydrophobicContact CD1-CD1 3.75Å; I152-I158 HydrophobicContact CD1-CG1 4.08Å; I152-I158 HydrophobicContact CG1-CD1 4.16Å; I152-I158 HydrophobicContact CG1-CG1 4.43Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L192 HydrophobicContact CG1-CD1 4.27Å; I152-L192 HydrophobicContact CG1-CD2 4.4Å; I152-F196 HydrophobicContact CG2-CB 4.17Å; I152-F196 HydrophobicContact CG2-CD1 4.35Å; I152-I213 HydrophobicContact CD1-CD1 4.02Å; I152-I213 HydrophobicContact CD1-CG2 4.14Å
153	D	97.4	Very high	98.2	Very high	69 Å²	69	27.6 Å²	27.6	37%	0.369	15%	0.149	S	C	.	.	S	Bend	trans	-150.6	-163.8	175.8	60.3	33.9	0	0	0	109.6	F151 N155 Q156	F151-D153 WeakPolarHBondContact CD1-O 3.43Å; D153-N155 PolarHBondContact O-N 3.01Å; D153-N155 WeakPolarHBondContact OD1-CA 3.46Å; D153-N155 WeakPolarHBondContact OD1-CB 3.19Å; D153-N155 PolarHBondContact OD1-N 3.07Å; D153-Q156 PolarHBondContact N-O 2.9Å; D153-Q156 PolarHBondContact OD1-N 2.84Å
154	D	96.8	Very high	98.3	Very high	35 Å²	35	24 Å²	24	19%	0.187	13%	0.127	C	C	.	.	S	Bend	trans	-73.2	-13.5	179.9	-79	-1.9	0	0	0	113.8	S108 N110 Y111 I171	S108-D154 WeakPolarHBondContact CB-OD1 3.34Å; S108-D154 WeakPolarHBondContact CB-OD2 3.24Å; S108-D154 PolarHBondContact OG-OD1 3.49Å; S108-D154 PolarHBondContact OG-OD2 2.64Å; S108-D154 VanDerWaalsContact OG-OD2 3.08Å; N110-D154 PolarHBondContact ND2-OD2 3.05Å; Y111-D154 HydrophobicContact CD2-CB 4.09Å; Y111-D154 HydrophobicContact CE2-CB 3.83Å; D154-I171 WeakPolarHBondContact O-CD1 3.43Å
155	N	97.1	Very high	98.3	Very high	84 Å²	84	24.5 Å²	24.5	45%	0.449	13%	0.127	S	C	.	.	S	Bend	trans	-111.7	-18.1	-175.9	-69.4	5.3	0	0	0	112.9	D153 I171	D153-N155 PolarHBondContact O-N 3.01Å; D153-N155 WeakPolarHBondContact OD1-CA 3.46Å; D153-N155 WeakPolarHBondContact OD1-CB 3.19Å; D153-N155 PolarHBondContact OD1-N 3.07Å; N155-I171 WeakPolarHBondContact O-CB 3.26Å; N155-I171 WeakPolarHBondContact O-CG1 3.37Å; N155-I171 PolarHBondContact O-N 3.33Å
156	Q	98.1	Very high	98.4	Very high	65 Å²	65	22.2 Å²	22.2	30%	0.304	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	-177.1	-67.4	-172.3	-14	0	0	112.7	I152 D153 L168 W169	I152-Q156 HydrophobicContact CB-CB 4.04Å; I152-Q156 HydrophobicContact CD1-CB 4.27Å; I152-Q156 PolarHBondContact N-O 2.81Å; D153-Q156 PolarHBondContact N-O 2.9Å; D153-Q156 PolarHBondContact OD1-N 2.84Å; Q156-L168 HydrophobicContact CB-CD1 4.32Å; Q156-W169 WeakPolarHBondContact CA-O 3.27Å
157	I	98.6	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.6	175	-169.3	171.1	0	0	0	109.9	A113 I123 L139 C149 R150 F151 W169 I171	A113-I157 HydrophobicContact CB-CD1 3.6Å; I123-I157 HydrophobicContact CD1-CG2 4.32Å; L139-I157 HydrophobicContact CD1-CG2 3.58Å; C149-I157 HydrophobicContact CB-CD1 4.02Å; C149-I157 HydrophobicContact CB-CG1 4.41Å; R150-I157 WeakPolarHBondContact O-CG1 3.47Å; F151-I157 HydrophobicContact CD1-CB 4.1Å; F151-I157 HydrophobicContact CD1-CD1 4.14Å; F151-I157 HydrophobicContact CD1-CG1 4.24Å; F151-I157 HydrophobicContact CD2-CD1 4.3Å; F151-I157 HydrophobicContact CE1-CB 4.41Å; F151-I157 HydrophobicContact CE1-CD1 3.97Å; F151-I157 HydrophobicContact CE2-CD1 4.13Å; F151-I157 HydrophobicContact CG-CD1 4.31Å; F151-I157 HydrophobicContact CG-CG1 4.38Å; F151-I157 HydrophobicContact CZ-CD1 3.97Å; I157-W169 HydrophobicContact CG2-CB 3.8Å; I157-W169 HydrophobicContact CG2-CG 4.24Å; I157-W169 PolarHBondContact N-O 2.6Å; I157-W169 PolarHBondContact O-N 3.37Å; I157-I171 HydrophobicContact CB-CD1 4.15Å; I157-I171 HydrophobicContact CB-CG1 4.45Å; I157-I171 HydrophobicContact CG2-CD1 4.15Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å
158	I	98.7	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.7	171.1	-66.8	170	0	0	0	109	C149 R150 I152 A167 L168 L190 L192 F199 I213	C149-I158 CarbonylContact C-O 3.56Å; C149-I158 WeakPolarHBondContact CA-O 3.3Å; R150-I158 PolarHBondContact N-O 2.7Å; R150-I158 PolarHBondContact O-N 2.89Å; I152-I158 HydrophobicContact CD1-CD1 3.75Å; I152-I158 HydrophobicContact CD1-CG1 4.08Å; I152-I158 HydrophobicContact CG1-CD1 4.16Å; I152-I158 HydrophobicContact CG1-CG1 4.43Å; I158-A167 CarbonylContact C-O 3.51Å; I158-A167 VanDerWaalsContact CA-O 3.25Å; I158-A167 WeakPolarHBondContact CA-O 3.46Å; I158-L168 HydrophobicContact CD1-CD1 4.19Å; I158-L168 HydrophobicContact CG1-CB 4.49Å; I158-L168 HydrophobicContact CG1-CD1 3.55Å; I158-L190 HydrophobicContact CG2-CD1 4.32Å; I158-L190 HydrophobicContact CG2-CD2 3.77Å; I158-L192 HydrophobicContact CD1-CD2 3.61Å; I158-F199 HydrophobicContact CD1-CD1 3.82Å; I158-F199 HydrophobicContact CD1-CE1 4.18Å; I158-F199 HydrophobicContact CD1-CG 4.38Å; I158-F199 HydrophobicContact CG2-CD2 4.5Å; I158-F199 HydrophobicContact CG2-CE1 4.41Å; I158-F199 HydrophobicContact CG2-CE2 4.33Å; I158-F199 HydrophobicContact CG2-CZ 4.29Å; I158-I213 HydrophobicContact CD1-CD1 3.57Å; I158-I213 HydrophobicContact CD1-CG1 3.89Å
159	T	98.8	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.2	175.5	57.8	0	0	0	0	111.5	C121 H142 L146 C148 C149 C166 A167 W169	C121-T159 HydrophobicContact CB-CG2 4.06Å; H142-T159 PolarHBondContact NE2-OG1 2.91Å; L146-T159 HydrophobicContact CD1-CG2 3.86Å; L146-T159 HydrophobicContact CD2-CG2 4.46Å; C148-T159 WeakPolarHBondContact O-CA 3.19Å; C149-T159 HydrophobicContact CB-CG2 3.96Å; T159-C166 CarbonylContact O-C 3.6Å; T159-C166 WeakPolarHBondContact O-CA 3.43Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.31Å; T159-A167 PolarHBondContact N-O 3.45Å; T159-A167 PolarHBondContact O-N 3.07Å; T159-W169 PolarHBondContact OG1-NE1 3.47Å
160	S	98.7	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.4	165.7	57.3	0	0	0	0	110.1	S147 C148	S147-S160 PolarHBondContact N-O 2.94Å; S147-S160 VanDerWaalsContact OG-C 3.31Å; S147-S160 WeakPolarHBondContact OG-CB 3.39Å; S147-S160 PolarHBondContact OG-O 3.4Å; S147-S160 VanDerWaalsContact OG-O 3.08Å; S147-S160 PolarHBondContact OG-OG 3.12Å; C148-S160 VanDerWaalsContact CB-OG 3.24Å; C148-S160 WeakPolarHBondContact CB-OG 3.26Å; C148-S160 PolarHBondContact N-OG 2.87Å; C148-S160 PolarHBondContact O-N 2.79Å
161	S	98.8	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	-172.4	174.6	0	0	0	0	113	H142 G144 Y145 D163 T164 T165 V187	H142-S161 VanDerWaalsContact CE1-CB 3.43Å; H142-S161 WeakPolarHBondContact CE1-CB 3.47Å; H142-S161 VanDerWaalsContact CG-CB 3.47Å; H142-S161 WeakPolarHBondContact ND1-CB 3.33Å; H142-S161 PolarHBondContact ND1-OG 3.39Å; G144-S161 PolarHBondContact O-OG 3.16Å; Y145-S161 CarbonylContact O-C 3.44Å; Y145-S161 VanDerWaalsContact O-CA 3.24Å; Y145-S161 WeakPolarHBondContact O-CA 3.45Å; Y145-S161 PolarHBondContact O-OG 2.69Å; S161-D163 VanDerWaalsContact CB-OD1 3.31Å; S161-D163 WeakPolarHBondContact CB-OD1 3.49Å; S161-D163 PolarHBondContact O-N 3.34Å; S161-D163 PolarHBondContact OG-N 2.81Å; S161-D163 VanDerWaalsContact OG-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 2.59Å; S161-D163 PolarHBondContact OG-OD2 3.39Å; S161-T164 PolarHBondContact O-N 2.92Å; S161-T165 PolarHBondContact N-O 3.37Å; S161-V187 PolarHBondContact O-N 3.18Å; S161-V187 VanDerWaalsContact O-N 3.17Å
162	G	98.6	Very high	98.1	Very high	12 Å²	12	27.7 Å²	27.7	12%	0.124	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-4.9	168.1	0	0	0	0	0	114	Y145 T164	Y145-G162 PolarHBondContact O-N 2.89Å; G162-T164 PolarHBondContact O-N 3.49Å
163	D	98.4	Very high	98	Very high	26 Å²	26	30.3 Å²	30.3	14%	0.139	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	13.4	169.7	62.6	31.1	0	0	0	114.2	H142 T143 S161 T165	H142-D163 VanDerWaalsContact CA-OD2 3.28Å; H142-D163 WeakPolarHBondContact CA-OD2 3.31Å; H142-D163 VanDerWaalsContact CB-OD2 3.29Å; H142-D163 WeakPolarHBondContact CB-OD2 3.33Å; H142-D163 IonicContact CE1-OD2 3.45Å; H142-D163 IonicContact CG-OD2 2.71Å; H142-D163 IonicContact ND1-OD1 2.94Å; H142-D163 IonicContact ND1-OD2 3.48Å; H142-D163 PolarHBondContact ND1-OD2 3.46Å; T143-D163 PolarHBondContact N-OD2 3.39Å; T143-D163 VanDerWaalsContact OG1-CB 3.25Å; T143-D163 WeakPolarHBondContact OG1-CB 3.25Å; S161-D163 VanDerWaalsContact CB-OD1 3.31Å; S161-D163 WeakPolarHBondContact CB-OD1 3.49Å; S161-D163 PolarHBondContact O-N 3.34Å; S161-D163 PolarHBondContact OG-N 2.81Å; S161-D163 VanDerWaalsContact OG-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 2.59Å; S161-D163 PolarHBondContact OG-OD2 3.39Å; D163-T165 VanDerWaalsContact C-N 3.26Å; D163-T165 PolarHBondContact O-N 2.96Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 3.09Å; D163-T165 PolarHBondContact OD1-OG1 3.46Å
164	T	98.6	Very high	97.9	Very high	47 Å²	47	28.4 Å²	28.4	29%	0.288	16%	0.156	S	C	.	.	S	Bend	trans	72.3	7.4	-179.5	77.9	0	0	0	0	115.4	S161 G162 G185	S161-T164 PolarHBondContact O-N 2.92Å; G162-T164 PolarHBondContact O-N 3.49Å; T164-G185 WeakPolarHBondContact CG2-O 3.38Å
165	T	98.5	Very high	97.8	Very high	22 Å²	22	32.8 Å²	32.8	14%	0.135	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.4	-179.4	74.1	0	0	0	0	113.1	H142 S161 D163 V179	H142-T165 PolarHBondContact CE1-OG1 2.89Å; S161-T165 PolarHBondContact N-O 3.37Å; D163-T165 VanDerWaalsContact C-N 3.26Å; D163-T165 PolarHBondContact O-N 2.96Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 3.09Å; D163-T165 PolarHBondContact OD1-OG1 3.46Å; T165-V179 HydrophobicContact CG2-CG1 4.24Å
166	C	98.8	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	159.2	157.6	-59.1	0	0	0	0	109.7	T159 F180 F199	T159-C166 CarbonylContact O-C 3.6Å; T159-C166 WeakPolarHBondContact O-CA 3.43Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.31Å; C166-F180 HydrophobicContact CB-CB 4.03Å; C166-F180 HydrophobicContact CB-CD2 4.15Å; C166-F180 PolarHBondContact N-O 3.01Å; C166-F180 PolarHBondContact O-N 3.39Å; C166-F199 HydrophobicContact CB-CE2 3.96Å; C166-F199 HydrophobicContact CB-CZ 3.93Å
167	A	98.5	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.2	-177.8	0	0	0	0	0	111.5	I158 T159 W169 Q176 T178	I158-A167 CarbonylContact C-O 3.51Å; I158-A167 VanDerWaalsContact CA-O 3.25Å; I158-A167 WeakPolarHBondContact CA-O 3.46Å; T159-A167 PolarHBondContact N-O 3.45Å; T159-A167 PolarHBondContact O-N 3.07Å; A167-W169 HydrophobicContact CB-CZ2 4Å; A167-W169 VanDerWaalsContact CB-NE1 3.35Å; A167-Q176 HydrophobicContact CB-CG 4.03Å; A167-T178 WeakPolarHBondContact CA-O 3.48Å
168	L	98.6	Very high	97.6	Very high	10 Å²	10	33 Å²	33	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.7	164.1	-178.1	67.8	0	0	0	108.2	I152 Q156 I158 T177 T178 F180 I213	I152-L168 HydrophobicContact CD1-CD1 3.6Å; Q156-L168 HydrophobicContact CB-CD1 4.32Å; I158-L168 HydrophobicContact CD1-CD1 4.19Å; I158-L168 HydrophobicContact CG1-CB 4.49Å; I158-L168 HydrophobicContact CG1-CD1 3.55Å; L168-T177 VanDerWaalsContact CG-OG1 3.28Å; L168-T177 WeakPolarHBondContact CG-OG1 3.38Å; L168-T177 PolarHBondContact O-N 3.29Å; L168-T177 PolarHBondContact O-OG1 2.75Å; L168-T178 PolarHBondContact N-O 2.88Å; L168-T178 PolarHBondContact O-N 3.19Å; L168-F180 HydrophobicContact CB-CE2 3.95Å; L168-F180 HydrophobicContact CB-CZ 4.44Å; L168-I213 HydrophobicContact CD1-CG2 4.48Å; L168-I213 HydrophobicContact CD2-CG2 3.99Å
169	W	98.5	Very high	97.6	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.7	-178.6	-57.5	83.1	0	0	0	111.1	L139 Q156 I157 T159 A167 Q176	L139-W169 HydrophobicContact CB-CD2 4.11Å; L139-W169 HydrophobicContact CB-CE3 3.86Å; L139-W169 HydrophobicContact CB-CZ3 4.06Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 4.06Å; L139-W169 HydrophobicContact CD1-CE3 4.36Å; L139-W169 HydrophobicContact CD1-CG 3.81Å; L139-W169 HydrophobicContact CD2-CE3 4.26Å; L139-W169 HydrophobicContact CG-CE3 4.38Å; Q156-W169 WeakPolarHBondContact CA-O 3.27Å; I157-W169 HydrophobicContact CG2-CB 3.8Å; I157-W169 HydrophobicContact CG2-CG 4.24Å; I157-W169 PolarHBondContact N-O 2.6Å; I157-W169 PolarHBondContact O-N 3.37Å; T159-W169 PolarHBondContact OG1-NE1 3.47Å; A167-W169 HydrophobicContact CB-CZ2 4Å; A167-W169 VanDerWaalsContact CB-NE1 3.35Å; W169-Q176 HydrophobicContact CD2-CB 4.39Å; W169-Q176 HydrophobicContact CE3-CB 3.96Å; W169-Q176 HydrophobicContact CH2-CB 4.12Å; W169-Q176 HydrophobicContact CZ3-CB 3.83Å
170	D	97.9	Very high	97.6	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115.5	159.8	178.7	-56.7	0	0	0	108.1	E172 T173 S174 Q175 T177	D170-E172 WeakPolarHBondContact OD1-CB 3.29Å; D170-E172 PolarHBondContact OD1-N 3.25Å; D170-T173 WeakPolarHBondContact CB-OG1 3.24Å; D170-T173 PolarHBondContact OD1-N 3.11Å; D170-T173 PolarHBondContact OD1-OG1 3.31Å; D170-S174 WeakPolarHBondContact O-CA 3.48Å; D170-S174 PolarHBondContact O-N 3.17Å; D170-Q175 PolarHBondContact N-O 2.85Å; D170-Q175 PolarHBondContact O-N 2.9Å; D170-T177 HydrophobicContact CB-CG2 3.67Å
171	I	96.9	Very high	97.5	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-35	-175	-62.8	171.7	0	0	0	110.9	I123 R137 F151 D154 N155 I157	I123-I171 HydrophobicContact CD1-CB 4.12Å; I123-I171 HydrophobicContact CD1-CD1 3.79Å; I123-I171 HydrophobicContact CD1-CG1 3.56Å; I123-I171 HydrophobicContact CD1-CG2 3.58Å; R137-I171 HydrophobicContact CB-CG2 4.46Å; R137-I171 HydrophobicContact CG-CG2 4.07Å; R137-I171 WeakPolarHBondContact CG-O 3.42Å; F151-I171 HydrophobicContact CD1-CD1 3.89Å; F151-I171 HydrophobicContact CE1-CD1 3.67Å; D154-I171 WeakPolarHBondContact O-CD1 3.43Å; N155-I171 WeakPolarHBondContact O-CB 3.26Å; N155-I171 WeakPolarHBondContact O-CG1 3.37Å; N155-I171 PolarHBondContact O-N 3.33Å; I157-I171 HydrophobicContact CB-CD1 4.15Å; I157-I171 HydrophobicContact CB-CG1 4.45Å; I157-I171 HydrophobicContact CG2-CD1 4.15Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å
172	E	95.1	Very high	97.4	Very high	136 Å²	136	42.6 Å²	42.6	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-46	-176.5	-175.8	173.9	-177.4	0	0	110.8	R137 D170	R137-E172 PolarHBondContact NE-O 2.95Å; D170-E172 WeakPolarHBondContact OD1-CB 3.29Å; D170-E172 PolarHBondContact OD1-N 3.25Å
173	T	95.9	Very high	97.4	Very high	77 Å²	77	42.7 Å²	42.7	47%	0.472	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12	-178.1	62.2	0	0	0	0	113.9	D170 Q175	D170-T173 WeakPolarHBondContact CB-OG1 3.24Å; D170-T173 PolarHBondContact OD1-N 3.11Å; D170-T173 PolarHBondContact OD1-OG1 3.31Å; T173-Q175 PolarHBondContact O-N 2.97Å; T173-Q175 PolarHBondContact OG1-N 2.95Å
174	S	95.6	Very high	97.4	Very high	29 Å²	29	46.4 Å²	46.4	20%	0.203	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	27.5	-172	-77	0	0	0	0	113.5	R137 E138 D170	R137-S174 WeakPolarHBondContact CD-OG 3.4Å; E138-S174 PolarHBondContact O-OG 3.37Å; D170-S174 WeakPolarHBondContact O-CA 3.48Å; D170-S174 PolarHBondContact O-N 3.17Å
175	Q	95.9	Very high	97.4	Very high	127 Å²	127	44.8 Å²	44.8	59%	0.593	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.4	-179.2	-64.3	-58.9	-48.8	0	0	111.4	D170 T173 T177	D170-Q175 PolarHBondContact N-O 2.85Å; D170-Q175 PolarHBondContact O-N 2.9Å; T173-Q175 PolarHBondContact O-N 2.97Å; T173-Q175 PolarHBondContact OG1-N 2.95Å; Q175-T177 PolarHBondContact O-N 3.4Å
176	Q	96.3	Very high	97.4	Very high	61 Å²	61	46.4 Å²	46.4	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.5	169.1	-172.4	172.1	-0.5	0	0	109	A167 W169 T178 V179	A167-Q176 HydrophobicContact CB-CG 4.03Å; W169-Q176 HydrophobicContact CD2-CB 4.39Å; W169-Q176 HydrophobicContact CE3-CB 3.96Å; W169-Q176 HydrophobicContact CH2-CB 4.12Å; W169-Q176 HydrophobicContact CZ3-CB 3.83Å; Q176-T178 WeakPolarHBondContact CG-O 3.2Å; Q176-T178 PolarHBondContact NE2-O 3.02Å; Q176-T178 VanDerWaalsContact NE2-O 3.15Å; Q176-V179 HydrophobicContact CG-CG2 4.41Å
177	T	96.3	Very high	97.4	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.423	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-30.6	178.7	43.4	0	0	0	0	112.1	L168 D170 Q175	L168-T177 VanDerWaalsContact CG-OG1 3.28Å; L168-T177 WeakPolarHBondContact CG-OG1 3.38Å; L168-T177 PolarHBondContact O-N 3.29Å; L168-T177 PolarHBondContact O-OG1 2.75Å; D170-T177 HydrophobicContact CB-CG2 3.67Å; Q175-T177 PolarHBondContact O-N 3.4Å
178	T	97.4	Very high	97.4	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.4	178.8	-58.8	0	0	0	0	111.1	A167 L168 Q176 F180 S216	A167-T178 WeakPolarHBondContact CA-O 3.48Å; L168-T178 PolarHBondContact N-O 2.88Å; L168-T178 PolarHBondContact O-N 3.19Å; Q176-T178 WeakPolarHBondContact CG-O 3.2Å; Q176-T178 PolarHBondContact NE2-O 3.02Å; Q176-T178 VanDerWaalsContact NE2-O 3.15Å; T178-F180 HydrophobicContact CG2-CD1 4.26Å; T178-F180 HydrophobicContact CG2-CD2 4.36Å; T178-F180 HydrophobicContact CG2-CE1 3.88Å; T178-F180 HydrophobicContact CG2-CE2 3.97Å; T178-F180 HydrophobicContact CG2-CG 4.49Å; T178-F180 HydrophobicContact CG2-CZ 3.7Å; T178-S216 VanDerWaalsContact CG2-CB 3.47Å; T178-S216 WeakPolarHBondContact CG2-OG 3.45Å
179	V	97.7	Very high	97.4	Very high	74 Å²	74	49.1 Å²	49.1	45%	0.448	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.9	169.3	-169.7	0	0	0	0	107.7	T165 Q176 S181	T165-V179 HydrophobicContact CG2-CG1 4.24Å; Q176-V179 HydrophobicContact CG-CG2 4.41Å; V179-S181 WeakPolarHBondContact CG1-OG 3.37Å
180	F	98.4	Very high	97.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	96.8	173	-56.1	-84.9	0	0	0	108.6	C166 L168 T178 F199 W211	C166-F180 HydrophobicContact CB-CB 4.03Å; C166-F180 HydrophobicContact CB-CD2 4.15Å; C166-F180 PolarHBondContact N-O 3.01Å; C166-F180 PolarHBondContact O-N 3.39Å; L168-F180 HydrophobicContact CB-CE2 3.95Å; L168-F180 HydrophobicContact CB-CZ 4.44Å; T178-F180 HydrophobicContact CG2-CD1 4.26Å; T178-F180 HydrophobicContact CG2-CD2 4.36Å; T178-F180 HydrophobicContact CG2-CE1 3.88Å; T178-F180 HydrophobicContact CG2-CE2 3.97Å; T178-F180 HydrophobicContact CG2-CG 4.49Å; T178-F180 HydrophobicContact CG2-CZ 3.7Å; F180-F199 HydrophobicContact CB-CZ 4.25Å; F180-F199 HydrophobicContact CD1-CE1 4.08Å; F180-F199 HydrophobicContact CD1-CZ 4.14Å; F180-F199 AromaticContact CD2-CE1 3.89Å; F180-F199 HydrophobicContact CD2-CE1 3.89Å; F180-F199 AromaticContact CD2-CZ 3.66Å; F180-F199 HydrophobicContact CD2-CZ 3.66Å; F180-F199 AromaticContact CE1-CE1 3.89Å; F180-F199 HydrophobicContact CE1-CE1 3.89Å; F180-F199 HydrophobicContact CE1-CZ 4.39Å; F180-F199 AromaticContact CE2-CE1 3.7Å; F180-F199 HydrophobicContact CE2-CE1 3.7Å; F180-F199 AromaticContact CE2-CZ 3.96Å; F180-F199 HydrophobicContact CE2-CZ 3.96Å; F180-F199 HydrophobicContact CG-CE1 4.08Å; F180-F199 AromaticContact CG-CZ 3.76Å; F180-F199 HydrophobicContact CG-CZ 3.76Å; F180-F199 AromaticContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CZ 4.33Å; F180-W211 HydrophobicContact CB-CD2 4Å; F180-W211 HydrophobicContact CB-CE3 3.76Å; F180-W211 HydrophobicContact CB-CH2 4.25Å; F180-W211 HydrophobicContact CB-CZ2 4.46Å; F180-W211 HydrophobicContact CB-CZ3 3.89Å; F180-W211 HydrophobicContact CD1-CB 4.11Å; F180-W211 HydrophobicContact CD1-CD2 4.17Å; F180-W211 AromaticContact CD1-CE3 3.79Å; F180-W211 HydrophobicContact CD1-CE3 3.79Å; F180-W211 HydrophobicContact CD1-CG 4.33Å; F180-W211 HydrophobicContact CE1-CB 4.34Å; F180-W211 HydrophobicContact CG-CD2 4.4Å; F180-W211 HydrophobicContact CG-CE3 4.21Å
181	S	97.3	Very high	97.5	Very high	80 Å²	80	48 Å²	48	56%	0.559	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.6	179.9	-58.3	0	0	0	0	110.7	V179	V179-S181 WeakPolarHBondContact CG1-OG 3.37Å
182	G	97.1	Very high	97.6	Very high	47 Å²	47	48.7 Å²	48.7	49%	0.485	29%	0.291	S	S	.	.			trans	161.2	-12.2	175.7	0	0	0	0	0	115.5	K209	G182-K209 VanDerWaalsContact C-CE 3.49Å; G182-K209 WeakPolarHBondContact O-CE 3.28Å; G182-K209 PolarHBondContact O-NZ 3.3Å
183	H	98.4	Very high	97.7	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.065	26%	0.262	C	S	.	.			trans	-73	155.2	164.6	-79.1	-69.2	0	0	0	110.8	V187 S201 A203 D205 S207	H183-V187 HydrophobicContact CB-CG2 4.05Å; H183-S201 PolarHBondContact NE2-OG 2.85Å; H183-A203 HydrophobicContact CB-CB 4.32Å; H183-A203 VanDerWaalsContact ND1-CB 3.33Å; H183-A203 WeakPolarHBondContact ND1-CB 3.2Å; H183-D205 VanDerWaalsContact CA-OD2 3.31Å; H183-D205 WeakPolarHBondContact CA-OD2 3.32Å; H183-D205 WeakPolarHBondContact CB-OD2 3.29Å; H183-D205 IonicContact CE1-OD1 3.62Å; H183-D205 IonicContact CG-OD2 3.04Å; H183-D205 IonicContact ND1-OD1 3.58Å; H183-D205 PolarHBondContact ND1-OD1 2.76Å; H183-D205 IonicContact ND1-OD2 3.49Å; H183-D205 PolarHBondContact ND1-OD2 3.06Å; H183-S207 PolarHBondContact CE1-O 3.39Å; H183-S207 PolarHBondContact ND1-OG 3.47Å
184	S	98.1	Very high	97.7	Very high	104 Å²	104	42 Å²	42	73%	0.727	26%	0.261	S	S	*	.	S	Bend	trans	-113.8	6.8	176.5	57	0	0	0	0	113.5	D205	S184-D205 PolarHBondContact N-OD2 2.84Å; S184-D205 VanDerWaalsContact OG-CB 3.3Å; S184-D205 WeakPolarHBondContact OG-CB 3.45Å
185	G	98.3	Very high	97.7	Very high	12 Å²	12	45 Å²	45	12%	0.124	27%	0.274	C	S	.	.	S	Bend	trans	-146	173.1	175.5	0	0	0	0	0	110.5	T164 V187	T164-G185 WeakPolarHBondContact CG2-O 3.38Å; G185-V187 PolarHBondContact O-N 3.11Å
186	D	98.8	Very high	97.8	Very high	57 Å²	57	43.2 Å²	43.2	31%	0.305	27%	0.265	S	S	.	.			trans	-53.7	127.6	-178.3	-60.7	15.5	0	0	0	110.5	Y145 M188 A203 C204	Y145-D186 WeakPolarHBondContact CE1-OD2 3.28Å; Y145-D186 VanDerWaalsContact OH-CB 3.27Å; Y145-D186 WeakPolarHBondContact OH-CB 3.29Å; Y145-D186 PolarHBondContact OH-OD2 2.86Å; D186-M188 HydrophobicContact CB-SD 4.4Å; D186-A203 CarbonylContact O-C 3.54Å; D186-A203 WeakPolarHBondContact O-CA 3.44Å; D186-A203 VanDerWaalsContact O-CB 3.27Å; D186-A203 WeakPolarHBondContact O-CB 3.23Å; D186-C204 HydrophobicContact CB-CB 4.4Å; D186-C204 PolarHBondContact O-N 3.34Å
187	V	98.9	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.6	175.7	-171.6	0	0	0	0	107.3	S147 S161 H183 G185 G202 A203	S147-V187 WeakPolarHBondContact CB-O 3.31Å; S147-V187 PolarHBondContact OG-O 2.78Å; S161-V187 PolarHBondContact O-N 3.18Å; S161-V187 VanDerWaalsContact O-N 3.17Å; H183-V187 HydrophobicContact CB-CG2 4.05Å; G185-V187 PolarHBondContact O-N 3.11Å; V187-G202 WeakPolarHBondContact CG1-O 3.34Å; V187-A203 HydrophobicContact CG2-CB 4.37Å
188	M	98.8	Very high	97.9	Very high	49 Å²	49	46.7 Å²	46.7	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-32.5	-171.4	-66	-59.3	-72.4	0	0	113	S147 D186 G202 I229	S147-M188 WeakPolarHBondContact CB-O 3.43Å; D186-M188 HydrophobicContact CB-SD 4.4Å; M188-G202 PolarHBondContact N-O 3.29Å; M188-I229 WeakPolarHBondContact CB-O 3.31Å
189	S	98.4	Very high	98	Very high	18 Å²	18	45.6 Å²	45.6	13%	0.126	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155	-175.8	-170.7	0	0	0	0	112.1	S201 G202 N230	S189-S201 VanDerWaalsContact O-CA 3.31Å; S189-S201 WeakPolarHBondContact O-CA 3.35Å; S189-G202 PolarHBondContact N-O 3.35Å; S189-G202 PolarHBondContact O-N 2.85Å; S189-N230 VanDerWaalsContact CB-O 3.28Å; S189-N230 WeakPolarHBondContact CB-O 3.31Å
190	L	98.7	Very high	98	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.3	172.9	71.5	88.2	0	0	0	110.9	C148 R150 I158 F199 V200	C148-L190 HydrophobicContact CB-CD2 4.39Å; C148-L190 HydrophobicContact CB-CG 4.15Å; R150-L190 HydrophobicContact CB-CD1 3.82Å; R150-L190 HydrophobicContact CG-CD1 3.59Å; I158-L190 HydrophobicContact CG2-CD1 4.32Å; I158-L190 HydrophobicContact CG2-CD2 3.77Å; L190-F199 HydrophobicContact CB-CD2 4.28Å; L190-V200 CarbonylContact C-O 3.51Å; L190-V200 WeakPolarHBondContact CA-O 3.07Å
191	S	98.8	Very high	98	Very high	19 Å²	19	42 Å²	42	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.6	174.4	-173.2	0	0	0	0	109.3	F199 V200 F234	S191-F199 CarbonylContact O-C 3.54Å; S191-F199 VanDerWaalsContact O-CA 3.28Å; S191-F199 WeakPolarHBondContact O-CA 3.17Å; S191-F199 VanDerWaalsContact O-CB 3.31Å; S191-F199 WeakPolarHBondContact O-CB 3.25Å; S191-V200 PolarHBondContact N-O 2.91Å; S191-V200 PolarHBondContact O-N 3.46Å; S191-F234 WeakPolarHBondContact O-CD2 3.36Å; S191-F234 WeakPolarHBondContact O-CE2 3.12Å; S191-F234 PolarHBondContact OG-N 2.96Å
192	L	98.6	Very high	98.1	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.12	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.1	175.8	-72.3	167.9	0	0	0	110.5	R150 F151 I152 I158 F196 F199 I213 F234	R150-L192 HydrophobicContact CB-CD1 3.52Å; R150-L192 HydrophobicContact CB-CG 4.03Å; R150-L192 HydrophobicContact CG-CD1 4.49Å; F151-L192 VanDerWaalsContact O-CD1 3.29Å; F151-L192 WeakPolarHBondContact O-CD1 3.48Å; I152-L192 HydrophobicContact CG1-CD1 4.27Å; I152-L192 HydrophobicContact CG1-CD2 4.4Å; I158-L192 HydrophobicContact CD1-CD2 3.61Å; L192-F196 HydrophobicContact CB-CD1 4.37Å; L192-F196 HydrophobicContact CD1-CD1 3.92Å; L192-F196 HydrophobicContact CD1-CE1 4.01Å; L192-F199 HydrophobicContact CD2-CB 3.76Å; L192-I213 HydrophobicContact CD2-CD1 3.98Å; L192-F234 WeakPolarHBondContact O-CD2 3.37Å
193	S	98	Very high	98.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	19%	0.192	C	C	.	.			trans	-65	152.6	170.2	62.9	0	0	0	0	110.4	D195 F196 R197 T198 F234	S193-D195 WeakPolarHBondContact CB-OD1 3.17Å; S193-D195 PolarHBondContact O-N 2.91Å; S193-D195 VanDerWaalsContact O-N 3.08Å; S193-D195 PolarHBondContact OG-OD1 2.79Å; S193-F196 PolarHBondContact O-N 3.48Å; S193-F196 PolarHBondContact OG-N 3.06Å; S193-R197 PolarHBondContact OG-N 2.81Å; S193-T198 WeakPolarHBondContact CB-O 3.44Å; S193-T198 WeakPolarHBondContact CB-OG1 3.35Å; S193-T198 PolarHBondContact N-O 3.11Å; S193-T198 PolarHBondContact OG-N 2.87Å; S193-T198 VanDerWaalsContact OG-N 3.12Å; S193-T198 PolarHBondContact OG-O 3.3Å; S193-T198 PolarHBondContact OG-OG1 2.96Å; S193-F234 VanDerWaalsContact N-CE2 3.28Å
194	P	96.4	Very high	98.2	Very high	70 Å²	70	36.9 Å²	36.9	46%	0.455	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.6	178	-26.1	34.9	0	0	0	114.8	P236	P194-P236 WeakPolarHBondContact CG-O 3.45Å
195	D	96	Very high	98.2	Very high	91 Å²	91	33.8 Å²	33.8	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.2	177.3	71.5	-8.5	0	0	0	113.9	S193 R197	S193-D195 WeakPolarHBondContact CB-OD1 3.17Å; S193-D195 PolarHBondContact O-N 2.91Å; S193-D195 VanDerWaalsContact O-N 3.08Å; S193-D195 PolarHBondContact OG-OD1 2.79Å; D195-R197 HydrophobicContact CB-CG 4.35Å; D195-R197 PolarHBondContact O-N 2.8Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 PolarHBondContact OD1-N 2.6Å; D195-R197 VanDerWaalsContact OD1-N 3.13Å; D195-R197 WeakPolarHBondContact OD2-CD 3.32Å; D195-R197 IonicContact OD2-NE 3.97Å
196	F	96.6	Very high	98.2	Very high	89 Å²	89	34.2 Å²	34.2	39%	0.39	18%	0.178	S	C	.	.	S	Bend	trans	56.7	23	-179.2	-61.4	-87.2	0	0	0	115	I152 L192 S193 I213	I152-F196 HydrophobicContact CG2-CB 4.17Å; I152-F196 HydrophobicContact CG2-CD1 4.35Å; L192-F196 HydrophobicContact CB-CD1 4.37Å; L192-F196 HydrophobicContact CD1-CD1 3.92Å; L192-F196 HydrophobicContact CD1-CE1 4.01Å; S193-F196 PolarHBondContact O-N 3.48Å; S193-F196 PolarHBondContact OG-N 3.06Å; F196-I213 WeakPolarHBondContact O-CD1 3.49Å
197	R	96.6	Very high	98.2	Very high	177 Å²	177	32 Å²	32	67%	0.668	17%	0.167	S	C	*	.	S	Bend	trans	-95.8	-29.4	179.1	-62.1	-173.7	-178.1	-156.1	-1	113.2	S193 D195 I213	S193-R197 PolarHBondContact OG-N 2.81Å; D195-R197 HydrophobicContact CB-CG 4.35Å; D195-R197 PolarHBondContact O-N 2.8Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 PolarHBondContact OD1-N 2.6Å; D195-R197 VanDerWaalsContact OD1-N 3.13Å; D195-R197 WeakPolarHBondContact OD2-CD 3.32Å; D195-R197 IonicContact OD2-NE 3.97Å; R197-I213 WeakPolarHBondContact O-CB 3.48Å; R197-I213 WeakPolarHBondContact O-CG1 3.46Å; R197-I213 PolarHBondContact O-N 2.89Å
198	T	98.3	Very high	98.2	Very high	26 Å²	26	32 Å²	32	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.6	-178.9	62.9	0	0	0	0	110.1	S193 W211	S193-T198 WeakPolarHBondContact CB-O 3.44Å; S193-T198 WeakPolarHBondContact CB-OG1 3.35Å; S193-T198 PolarHBondContact N-O 3.11Å; S193-T198 PolarHBondContact OG-N 2.87Å; S193-T198 VanDerWaalsContact OG-N 3.12Å; S193-T198 PolarHBondContact OG-O 3.3Å; S193-T198 PolarHBondContact OG-OG1 2.96Å; T198-W211 WeakPolarHBondContact CA-O 3.26Å; T198-W211 WeakPolarHBondContact CB-O 3.1Å
199	F	98.8	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.3	167.7	72.5	-84.5	0	0	0	110	I158 C166 F180 L190 S191 L192 W211 I213	I158-F199 HydrophobicContact CD1-CD1 3.82Å; I158-F199 HydrophobicContact CD1-CE1 4.18Å; I158-F199 HydrophobicContact CD1-CG 4.38Å; I158-F199 HydrophobicContact CG2-CD2 4.5Å; I158-F199 HydrophobicContact CG2-CE1 4.41Å; I158-F199 HydrophobicContact CG2-CE2 4.33Å; I158-F199 HydrophobicContact CG2-CZ 4.29Å; C166-F199 HydrophobicContact CB-CE2 3.96Å; C166-F199 HydrophobicContact CB-CZ 3.93Å; F180-F199 HydrophobicContact CB-CZ 4.25Å; F180-F199 HydrophobicContact CD1-CE1 4.08Å; F180-F199 HydrophobicContact CD1-CZ 4.14Å; F180-F199 AromaticContact CD2-CE1 3.89Å; F180-F199 HydrophobicContact CD2-CE1 3.89Å; F180-F199 AromaticContact CD2-CZ 3.66Å; F180-F199 HydrophobicContact CD2-CZ 3.66Å; F180-F199 AromaticContact CE1-CE1 3.89Å; F180-F199 HydrophobicContact CE1-CE1 3.89Å; F180-F199 HydrophobicContact CE1-CZ 4.39Å; F180-F199 AromaticContact CE2-CE1 3.7Å; F180-F199 HydrophobicContact CE2-CE1 3.7Å; F180-F199 AromaticContact CE2-CZ 3.96Å; F180-F199 HydrophobicContact CE2-CZ 3.96Å; F180-F199 HydrophobicContact CG-CE1 4.08Å; F180-F199 AromaticContact CG-CZ 3.76Å; F180-F199 HydrophobicContact CG-CZ 3.76Å; F180-F199 AromaticContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CZ 4.33Å; L190-F199 HydrophobicContact CB-CD2 4.28Å; S191-F199 CarbonylContact O-C 3.54Å; S191-F199 VanDerWaalsContact O-CA 3.28Å; S191-F199 WeakPolarHBondContact O-CA 3.17Å; S191-F199 VanDerWaalsContact O-CB 3.31Å; S191-F199 WeakPolarHBondContact O-CB 3.25Å; L192-F199 HydrophobicContact CD2-CB 3.76Å; F199-W211 HydrophobicContact CD1-CB 3.76Å; F199-W211 HydrophobicContact CD1-CG 4.43Å; F199-W211 HydrophobicContact CD2-CB 4.5Å; F199-W211 AromaticContact CD2-CD1 3.72Å; F199-W211 HydrophobicContact CD2-CG 4.41Å; F199-W211 HydrophobicContact CE1-CB 3.33Å; F199-W211 AromaticContact CE1-CG 3.82Å; F199-W211 HydrophobicContact CE1-CG 3.82Å; F199-W211 HydrophobicContact CE2-CB 4.15Å; F199-W211 AromaticContact CE2-CD1 3.21Å; F199-W211 AromaticContact CE2-CG 3.79Å; F199-W211 HydrophobicContact CE2-CG 3.79Å; F199-W211 AromaticContact CE2-NE1 3.82Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.55Å; F199-W211 AromaticContact CZ-CD1 3.4Å; F199-W211 HydrophobicContact CZ-CD2 4.27Å; F199-W211 AromaticContact CZ-CG 3.45Å; F199-W211 HydrophobicContact CZ-CG 3.45Å; F199-W211 VanDerWaalsContact CZ-CG 3.45Å; F199-W211 PolarHBondContact N-O 3.24Å; F199-W211 VanDerWaalsContact N-O 3.08Å; F199-W211 PolarHBondContact O-N 2.82Å; F199-I213 HydrophobicContact CD1-CD1 4.24Å; F199-I213 HydrophobicContact CD1-CG1 3.75Å; F199-I213 HydrophobicContact CE1-CG1 4.28Å
200	V	98.9	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.6	170.1	-66.6	0	0	0	0	109.7	L190 S191 I208 K209 L210 V232 F234 F241	L190-V200 CarbonylContact C-O 3.51Å; L190-V200 WeakPolarHBondContact CA-O 3.07Å; S191-V200 PolarHBondContact N-O 2.91Å; S191-V200 PolarHBondContact O-N 3.46Å; V200-I208 HydrophobicContact CB-CG2 4.1Å; V200-K209 CarbonylContact C-O 3.51Å; V200-K209 VanDerWaalsContact CA-O 3.24Å; V200-K209 WeakPolarHBondContact CA-O 3.5Å; V200-L210 HydrophobicContact CG1-CB 4.39Å; V200-L210 HydrophobicContact CG1-CD1 3.72Å; V200-V232 HydrophobicContact CG2-CB 4.21Å; V200-V232 HydrophobicContact CG2-CG2 4.13Å; V200-F234 HydrophobicContact CB-CE2 4.22Å; V200-F234 HydrophobicContact CB-CZ 4.46Å; V200-F234 HydrophobicContact CG1-CE1 4.36Å; V200-F234 HydrophobicContact CG1-CE2 3.92Å; V200-F234 HydrophobicContact CG1-CZ 3.68Å; V200-F234 HydrophobicContact CG2-CD2 3.95Å; V200-F234 HydrophobicContact CG2-CE2 3.7Å; V200-F234 HydrophobicContact CG2-CZ 4.27Å; V200-F241 HydrophobicContact CG1-CD1 3.91Å; V200-F241 HydrophobicContact CG1-CE1 4.09Å; V200-F241 HydrophobicContact CG1-CG 4.26Å; V200-F241 HydrophobicContact CG2-CB 4.37Å; V200-F241 HydrophobicContact CG2-CG 4.34Å
201	S	98.9	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	173	59.9	0	0	0	0	111.2	H183 S189 I208 K209 W211	H183-S201 PolarHBondContact NE2-OG 2.85Å; S189-S201 VanDerWaalsContact O-CA 3.31Å; S189-S201 WeakPolarHBondContact O-CA 3.35Å; S201-I208 CarbonylContact O-C 3.51Å; S201-I208 VanDerWaalsContact O-CA 3.26Å; S201-I208 WeakPolarHBondContact O-CA 3.44Å; S201-I208 VanDerWaalsContact O-CG2 3.31Å; S201-I208 WeakPolarHBondContact O-CG2 3.38Å; S201-K209 PolarHBondContact N-O 3.09Å; S201-K209 PolarHBondContact O-N 2.84Å; S201-W211 PolarHBondContact OG-NE1 3.06Å
202	G	98.8	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.8	173.1	0	0	0	0	0	110.9	V187 M188 S189	V187-G202 WeakPolarHBondContact CG1-O 3.34Å; M188-G202 PolarHBondContact N-O 3.29Å; S189-G202 PolarHBondContact N-O 3.35Å; S189-G202 PolarHBondContact O-N 2.85Å
203	A	98.8	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	171	-172.3	0	0	0	0	0	113.3	H183 D186 V187 D205 A206 S207 I229	H183-A203 HydrophobicContact CB-CB 4.32Å; H183-A203 VanDerWaalsContact ND1-CB 3.33Å; H183-A203 WeakPolarHBondContact ND1-CB 3.2Å; D186-A203 CarbonylContact O-C 3.54Å; D186-A203 WeakPolarHBondContact O-CA 3.44Å; D186-A203 VanDerWaalsContact O-CB 3.27Å; D186-A203 WeakPolarHBondContact O-CB 3.23Å; V187-A203 HydrophobicContact CG2-CB 4.37Å; A203-D205 PolarHBondContact O-N 3.26Å; A203-A206 PolarHBondContact O-N 2.96Å; A203-S207 PolarHBondContact N-O 2.6Å; A203-I229 PolarHBondContact O-N 2.87Å; A203-I229 VanDerWaalsContact O-N 3.13Å
204	C	98.8	Very high	97.9	Very high	35 Å²	35	41.1 Å²	41.1	24%	0.236	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.1	173.5	-62.8	0	0	0	0	113.9	D186 A206 D228	D186-C204 HydrophobicContact CB-CB 4.4Å; D186-C204 PolarHBondContact O-N 3.34Å; C204-A206 PolarHBondContact O-N 3.16Å; C204-D228 WeakPolarHBondContact CA-OD1 3.47Å; C204-D228 HydrophobicContact CB-CB 4.33Å; C204-D228 VanDerWaalsContact SG-CG 3.54Å; C204-D228 PolarHBondContact SG-OD2 2.84Å
205	D	98.4	Very high	97.8	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.203	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	12	170	63.9	18.8	0	0	0	113.2	H183 S184 A203 S207	H183-D205 VanDerWaalsContact CA-OD2 3.31Å; H183-D205 WeakPolarHBondContact CA-OD2 3.32Å; H183-D205 WeakPolarHBondContact CB-OD2 3.29Å; H183-D205 IonicContact CE1-OD1 3.62Å; H183-D205 IonicContact CG-OD2 3.04Å; H183-D205 IonicContact ND1-OD1 3.58Å; H183-D205 PolarHBondContact ND1-OD1 2.76Å; H183-D205 IonicContact ND1-OD2 3.49Å; H183-D205 PolarHBondContact ND1-OD2 3.06Å; S184-D205 PolarHBondContact N-OD2 2.84Å; S184-D205 VanDerWaalsContact OG-CB 3.3Å; S184-D205 WeakPolarHBondContact OG-CB 3.45Å; A203-D205 PolarHBondContact O-N 3.26Å; D205-S207 VanDerWaalsContact CG-OG 3.23Å; D205-S207 PolarHBondContact O-N 3.02Å; D205-S207 VanDerWaalsContact O-N 3.09Å; D205-S207 WeakPolarHBondContact OD1-CA 3.3Å; D205-S207 VanDerWaalsContact OD1-CB 3.27Å; D205-S207 WeakPolarHBondContact OD1-CB 3.13Å; D205-S207 PolarHBondContact OD1-N 2.82Å; D205-S207 PolarHBondContact OD1-OG 3.49Å; D205-S207 PolarHBondContact OD2-OG 2.81Å
206	A	98.4	Very high	97.7	Very high	22 Å²	22	39.5 Å²	39.5	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	55.6	19.7	-175.3	0	0	0	0	0	114.3	A203 C204 H225 S227 I229	A203-A206 PolarHBondContact O-N 2.96Å; C204-A206 PolarHBondContact O-N 3.16Å; A206-H225 HydrophobicContact CB-CB 4.44Å; A206-S227 WeakPolarHBondContact CB-O 3.29Å; A206-I229 VanDerWaalsContact C-CD1 3.42Å
207	S	98.3	Very high	97.6	Very high	11 Å²	11	41 Å²	41	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.9	176.8	83	0	0	0	0	112.7	H183 A203 D205 F222	H183-S207 PolarHBondContact CE1-O 3.39Å; H183-S207 PolarHBondContact ND1-OG 3.47Å; A203-S207 PolarHBondContact N-O 2.6Å; D205-S207 VanDerWaalsContact CG-OG 3.23Å; D205-S207 PolarHBondContact O-N 3.02Å; D205-S207 VanDerWaalsContact O-N 3.09Å; D205-S207 WeakPolarHBondContact OD1-CA 3.3Å; D205-S207 VanDerWaalsContact OD1-CB 3.27Å; D205-S207 WeakPolarHBondContact OD1-CB 3.13Å; D205-S207 PolarHBondContact OD1-N 2.82Å; D205-S207 PolarHBondContact OD1-OG 3.49Å; D205-S207 PolarHBondContact OD2-OG 2.81Å; S207-F222 WeakPolarHBondContact CA-O 3.27Å
208	I	98.8	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.5	168.9	-52.4	89.5	0	0	0	108.2	V200 S201 T221 F222 I229 F241 T243 F253	V200-I208 HydrophobicContact CB-CG2 4.1Å; S201-I208 CarbonylContact O-C 3.51Å; S201-I208 VanDerWaalsContact O-CA 3.26Å; S201-I208 WeakPolarHBondContact O-CA 3.44Å; S201-I208 VanDerWaalsContact O-CG2 3.31Å; S201-I208 WeakPolarHBondContact O-CG2 3.38Å; I208-T221 CarbonylContact O-C 3.49Å; I208-T221 VanDerWaalsContact O-CA 3.31Å; I208-T221 WeakPolarHBondContact O-CA 3.11Å; I208-F222 HydrophobicContact CB-CB 4.19Å; I208-F222 HydrophobicContact CB-CD2 4.46Å; I208-F222 HydrophobicContact CD1-CB 4.28Å; I208-F222 PolarHBondContact N-O 3.35Å; I208-F222 PolarHBondContact O-N 2.98Å; I208-I229 HydrophobicContact CD1-CD1 3.46Å; I208-I229 VanDerWaalsContact CD1-CD1 3.46Å; I208-I229 HydrophobicContact CG1-CD1 3.73Å; I208-F241 HydrophobicContact CB-CE2 4.09Å; I208-F241 HydrophobicContact CB-CZ 4.23Å; I208-F241 HydrophobicContact CG1-CE2 4.11Å; I208-F241 HydrophobicContact CG2-CD2 4.42Å; I208-F241 HydrophobicContact CG2-CE2 3.61Å; I208-F241 HydrophobicContact CG2-CZ 3.79Å; I208-T243 HydrophobicContact CD1-CG2 3.89Å; I208-T243 HydrophobicContact CG1-CG2 3.69Å; I208-F253 HydrophobicContact CD1-CE2 3.88Å; I208-F253 HydrophobicContact CD1-CZ 4.08Å
209	K	98.8	Very high	97.6	Very high	24 Å²	24	40 Å²	40	10%	0.104	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.7	175.3	-68.3	177.1	-169.8	-79.5	0	111	G182 V200 S201 W211 Q220 T221	G182-K209 VanDerWaalsContact C-CE 3.49Å; G182-K209 WeakPolarHBondContact O-CE 3.28Å; G182-K209 PolarHBondContact O-NZ 3.3Å; V200-K209 CarbonylContact C-O 3.51Å; V200-K209 VanDerWaalsContact CA-O 3.24Å; V200-K209 WeakPolarHBondContact CA-O 3.5Å; S201-K209 PolarHBondContact N-O 3.09Å; S201-K209 PolarHBondContact O-N 2.84Å; K209-W211 HydrophobicContact CB-CD2 4.47Å; K209-W211 HydrophobicContact CB-CZ2 3.66Å; K209-W211 HydrophobicContact CD-CH2 3.97Å; K209-W211 HydrophobicContact CD-CZ2 3.5Å; K209-W211 HydrophobicContact CG-CZ2 4.2Å; K209-Q220 WeakPolarHBondContact CA-O 3.42Å; K209-T221 HydrophobicContact CG-CG2 4.18Å; K209-T221 PolarHBondContact NZ-OG1 3.13Å
210	L	98.8	Very high	97.6	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.9	168.9	177.3	73.4	0	0	0	108.7	V200 C218 R219 Q220 F222 F234 L255	V200-L210 HydrophobicContact CG1-CB 4.39Å; V200-L210 HydrophobicContact CG1-CD1 3.72Å; L210-C218 CarbonylContact O-C 3.59Å; L210-C218 WeakPolarHBondContact O-CA 3.37Å; L210-R219 HydrophobicContact CD2-CB 4.06Å; L210-R219 HydrophobicContact CG-CB 4.38Å; L210-R219 PolarHBondContact O-N 3.41Å; L210-Q220 HydrophobicContact CB-CB 4.21Å; L210-Q220 PolarHBondContact N-O 3.24Å; L210-F222 HydrophobicContact CB-CE2 4.18Å; L210-F234 HydrophobicContact CD1-CZ 4.18Å; L210-L255 HydrophobicContact CD1-CD1 4.39Å; L210-L255 HydrophobicContact CD1-CD2 4.3Å; L210-L255 HydrophobicContact CD2-CD1 4.26Å; L210-L255 HydrophobicContact CD2-CD2 4.08Å
211	W	98.8	Very high	97.6	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.9	-178.4	-53.3	92.8	0	0	0	110.8	F180 T198 F199 S201 K209 C218	F180-W211 HydrophobicContact CB-CD2 4Å; F180-W211 HydrophobicContact CB-CE3 3.76Å; F180-W211 HydrophobicContact CB-CH2 4.25Å; F180-W211 HydrophobicContact CB-CZ2 4.46Å; F180-W211 HydrophobicContact CB-CZ3 3.89Å; F180-W211 HydrophobicContact CD1-CB 4.11Å; F180-W211 HydrophobicContact CD1-CD2 4.17Å; F180-W211 AromaticContact CD1-CE3 3.79Å; F180-W211 HydrophobicContact CD1-CE3 3.79Å; F180-W211 HydrophobicContact CD1-CG 4.33Å; F180-W211 HydrophobicContact CE1-CB 4.34Å; F180-W211 HydrophobicContact CG-CD2 4.4Å; F180-W211 HydrophobicContact CG-CE3 4.21Å; T198-W211 WeakPolarHBondContact CA-O 3.26Å; T198-W211 WeakPolarHBondContact CB-O 3.1Å; F199-W211 HydrophobicContact CD1-CB 3.76Å; F199-W211 HydrophobicContact CD1-CG 4.43Å; F199-W211 HydrophobicContact CD2-CB 4.5Å; F199-W211 AromaticContact CD2-CD1 3.72Å; F199-W211 HydrophobicContact CD2-CG 4.41Å; F199-W211 HydrophobicContact CE1-CB 3.33Å; F199-W211 AromaticContact CE1-CG 3.82Å; F199-W211 HydrophobicContact CE1-CG 3.82Å; F199-W211 HydrophobicContact CE2-CB 4.15Å; F199-W211 AromaticContact CE2-CD1 3.21Å; F199-W211 AromaticContact CE2-CG 3.79Å; F199-W211 HydrophobicContact CE2-CG 3.79Å; F199-W211 AromaticContact CE2-NE1 3.82Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.55Å; F199-W211 AromaticContact CZ-CD1 3.4Å; F199-W211 HydrophobicContact CZ-CD2 4.27Å; F199-W211 AromaticContact CZ-CG 3.45Å; F199-W211 HydrophobicContact CZ-CG 3.45Å; F199-W211 VanDerWaalsContact CZ-CG 3.45Å; F199-W211 PolarHBondContact N-O 3.24Å; F199-W211 VanDerWaalsContact N-O 3.08Å; F199-W211 PolarHBondContact O-N 2.82Å; S201-W211 PolarHBondContact OG-NE1 3.06Å; K209-W211 HydrophobicContact CB-CD2 4.47Å; K209-W211 HydrophobicContact CB-CZ2 3.66Å; K209-W211 HydrophobicContact CD-CH2 3.97Å; K209-W211 HydrophobicContact CD-CZ2 3.5Å; K209-W211 HydrophobicContact CG-CZ2 4.2Å; W211-C218 HydrophobicContact CD2-CB 4.42Å; W211-C218 HydrophobicContact CE3-CB 3.7Å; W211-C218 HydrophobicContact CH2-CB 4.07Å; W211-C218 HydrophobicContact CZ3-CB 3.51Å
212	D	97.9	Very high	97.6	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.6	167.4	-168.3	-51.7	0	0	0	109.2	R214 D215 S216 M217 R219	D212-R214 VanDerWaalsContact C-N 3.35Å; D212-R214 PolarHBondContact OD1-N 3.34Å; D212-D215 HydrophobicContact CB-CB 4.1Å; D212-D215 PolarHBondContact OD1-N 2.93Å; D212-S216 WeakPolarHBondContact O-CA 3.17Å; D212-S216 PolarHBondContact O-N 3.49Å; D212-M217 PolarHBondContact N-O 3Å; D212-R219 HydrophobicContact CB-CG 4.02Å; D212-R219 IonicContact OD2-CZ 3.92Å; D212-R219 IonicContact OD2-NE 3.49Å; D212-R219 PolarHBondContact OD2-NE 3.27Å; D212-R219 IonicContact OD2-NH2 2.76Å; D212-R219 PolarHBondContact OD2-NH2 2.91Å
213	I	96.9	Very high	97.5	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-37.4	-174.6	-64.3	169.4	0	0	0	110.6	I152 I158 L168 L192 F196 R197 F199	I152-I213 HydrophobicContact CD1-CD1 4.02Å; I152-I213 HydrophobicContact CD1-CG2 4.14Å; I158-I213 HydrophobicContact CD1-CD1 3.57Å; I158-I213 HydrophobicContact CD1-CG1 3.89Å; L168-I213 HydrophobicContact CD1-CG2 4.48Å; L168-I213 HydrophobicContact CD2-CG2 3.99Å; L192-I213 HydrophobicContact CD2-CD1 3.98Å; F196-I213 WeakPolarHBondContact O-CD1 3.49Å; R197-I213 WeakPolarHBondContact O-CB 3.48Å; R197-I213 WeakPolarHBondContact O-CG1 3.46Å; R197-I213 PolarHBondContact O-N 2.89Å; F199-I213 HydrophobicContact CD1-CD1 4.24Å; F199-I213 HydrophobicContact CD1-CG1 3.75Å; F199-I213 HydrophobicContact CE1-CG1 4.28Å
214	R	94.6	Very high	97.4	Very high	222 Å²	222	50 Å²	50	84%	0.838	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-42.8	-176.3	-178.9	-180	178.8	177.9	-0.2	111.7	D212 S216	D212-R214 VanDerWaalsContact C-N 3.35Å; D212-R214 PolarHBondContact OD1-N 3.34Å; R214-S216 VanDerWaalsContact C-N 3.28Å
215	D	94	Very high	97.4	Very high	82 Å²	82	49 Å²	49	44%	0.439	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	-177.8	-73.5	6.4	0	0	0	112.2	D212 M217 R219	D212-D215 HydrophobicContact CB-CB 4.1Å; D212-D215 PolarHBondContact OD1-N 2.93Å; D215-M217 VanDerWaalsContact O-CG 3.28Å; D215-M217 WeakPolarHBondContact O-CG 3.42Å; D215-M217 PolarHBondContact O-N 3.22Å; D215-R219 IonicContact OD2-CZ 3.49Å; D215-R219 IonicContact OD2-NH1 3.74Å; D215-R219 IonicContact OD2-NH2 2.62Å; D215-R219 PolarHBondContact OD2-NH2 2.88Å
216	S	93.6	Very high	97.4	Very high	44 Å²	44	55.4 Å²	55.4	31%	0.308	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	30.6	176.1	-52.3	0	0	0	0	113.9	T178 D212 R214	T178-S216 VanDerWaalsContact CG2-CB 3.47Å; T178-S216 WeakPolarHBondContact CG2-OG 3.45Å; D212-S216 WeakPolarHBondContact O-CA 3.17Å; D212-S216 PolarHBondContact O-N 3.49Å; R214-S216 VanDerWaalsContact C-N 3.28Å
217	M	93.6	Very high	97.4	Very high	122 Å²	122	56.4 Å²	56.4	60%	0.601	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.2	-171.3	-71.1	-73.5	163.6	0	0	112.4	D212 D215 R219	D212-M217 PolarHBondContact N-O 3Å; D215-M217 VanDerWaalsContact O-CG 3.28Å; D215-M217 WeakPolarHBondContact O-CG 3.42Å; D215-M217 PolarHBondContact O-N 3.22Å; M217-R219 PolarHBondContact O-N 2.69Å
218	C	98	Very high	97.4	Very high	49 Å²	49	58.4 Å²	58.4	33%	0.331	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123.4	167.5	-176.1	0	0	0	0	109.1	L210 W211 Q220	L210-C218 CarbonylContact O-C 3.59Å; L210-C218 WeakPolarHBondContact O-CA 3.37Å; W211-C218 HydrophobicContact CD2-CB 4.42Å; W211-C218 HydrophobicContact CE3-CB 3.7Å; W211-C218 HydrophobicContact CH2-CB 4.07Å; W211-C218 HydrophobicContact CZ3-CB 3.51Å; C218-Q220 PolarHBondContact SG-O 3Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å
219	R	98.2	Very high	97.4	Very high	133 Å²	133	58.4 Å²	58.4	50%	0.502	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-42	176.7	-64.4	-62.4	-163	179.2	2.5	112	L210 D212 D215 M217	L210-R219 HydrophobicContact CD2-CB 4.06Å; L210-R219 HydrophobicContact CG-CB 4.38Å; L210-R219 PolarHBondContact O-N 3.41Å; D212-R219 HydrophobicContact CB-CG 4.02Å; D212-R219 IonicContact OD2-CZ 3.92Å; D212-R219 IonicContact OD2-NE 3.49Å; D212-R219 PolarHBondContact OD2-NE 3.27Å; D212-R219 IonicContact OD2-NH2 2.76Å; D212-R219 PolarHBondContact OD2-NH2 2.91Å; D215-R219 IonicContact OD2-CZ 3.49Å; D215-R219 IonicContact OD2-NH1 3.74Å; D215-R219 IonicContact OD2-NH2 2.62Å; D215-R219 PolarHBondContact OD2-NH2 2.88Å; M217-R219 PolarHBondContact O-N 2.69Å
220	Q	98.5	Very high	97.4	Very high	46 Å²	46	58.5 Å²	58.5	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.6	-174.2	-70	174.7	-50.5	0	0	110.7	K209 L210 C218 F222 L255 D258	K209-Q220 WeakPolarHBondContact CA-O 3.42Å; L210-Q220 HydrophobicContact CB-CB 4.21Å; L210-Q220 PolarHBondContact N-O 3.24Å; C218-Q220 PolarHBondContact SG-O 3Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å; Q220-F222 HydrophobicContact CB-CD2 4.45Å; Q220-F222 HydrophobicContact CB-CE2 3.7Å; Q220-F222 HydrophobicContact CB-CZ 3.94Å; Q220-L255 PolarHBondContact NE2-O 3.07Å; Q220-L255 PolarHBondContact OE1-O 3.29Å; Q220-D258 PolarHBondContact NE2-OD1 2.91Å; Q220-D258 VanDerWaalsContact NE2-OD1 3.14Å
221	T	98.6	Very high	97.4	Very high	46 Å²	46	58.2 Å²	58.2	28%	0.282	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.5	169.6	-61.4	0	0	0	0	109	R22 I208 K209	R22-T221 PolarHBondContact NH2-O 3.28Å; I208-T221 CarbonylContact O-C 3.49Å; I208-T221 VanDerWaalsContact O-CA 3.31Å; I208-T221 WeakPolarHBondContact O-CA 3.11Å; K209-T221 HydrophobicContact CG-CG2 4.18Å; K209-T221 PolarHBondContact NZ-OG1 3.13Å
222	F	98.7	Very high	97.4	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.7	177.5	-54.1	-97.9	0	0	0	109.3	S207 I208 L210 Q220 F241 F253 L255	S207-F222 WeakPolarHBondContact CA-O 3.27Å; I208-F222 HydrophobicContact CB-CB 4.19Å; I208-F222 HydrophobicContact CB-CD2 4.46Å; I208-F222 HydrophobicContact CD1-CB 4.28Å; I208-F222 PolarHBondContact N-O 3.35Å; I208-F222 PolarHBondContact O-N 2.98Å; L210-F222 HydrophobicContact CB-CE2 4.18Å; Q220-F222 HydrophobicContact CB-CD2 4.45Å; Q220-F222 HydrophobicContact CB-CE2 3.7Å; Q220-F222 HydrophobicContact CB-CZ 3.94Å; F222-F241 HydrophobicContact CB-CZ 4.3Å; F222-F241 HydrophobicContact CD1-CE1 4.45Å; F222-F241 HydrophobicContact CD1-CZ 4.14Å; F222-F241 AromaticContact CD2-CE1 3.91Å; F222-F241 HydrophobicContact CD2-CE1 3.91Å; F222-F241 AromaticContact CD2-CZ 3.53Å; F222-F241 HydrophobicContact CD2-CZ 3.53Å; F222-F241 HydrophobicContact CE1-CE1 4.21Å; F222-F241 HydrophobicContact CE1-CZ 4.36Å; F222-F241 AromaticContact CE2-CE1 3.67Å; F222-F241 HydrophobicContact CE2-CE1 3.67Å; F222-F241 AromaticContact CE2-CZ 3.82Å; F222-F241 HydrophobicContact CE2-CZ 3.82Å; F222-F241 HydrophobicContact CG-CE1 4.31Å; F222-F241 AromaticContact CG-CZ 3.73Å; F222-F241 HydrophobicContact CG-CZ 3.73Å; F222-F241 AromaticContact CZ-CE1 3.84Å; F222-F241 HydrophobicContact CZ-CE1 3.84Å; F222-F241 HydrophobicContact CZ-CZ 4.23Å; F222-F253 HydrophobicContact CB-CD1 3.94Å; F222-F253 HydrophobicContact CB-CE1 4.04Å; F222-F253 HydrophobicContact CB-CG 4.47Å; F222-F253 HydrophobicContact CD1-CB 4.16Å; F222-F253 AromaticContact CD1-CD1 3.81Å; F222-F253 HydrophobicContact CD1-CD1 3.81Å; F222-F253 HydrophobicContact CD1-CG 4.27Å; F222-F253 HydrophobicContact CE1-CB 4.45Å; F222-F253 HydrophobicContact CG-CD1 4.21Å; F222-L255 HydrophobicContact CE2-CD2 4.11Å; F222-L255 HydrophobicContact CZ-CD2 3.65Å
223	T	97.6	Very high	97.5	Very high	85 Å²	85	58.3 Å²	58.3	52%	0.521	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.5	-180	55.6	0	0	0	0	108.4	R22	R22-T223 PolarHBondContact NH1-OG1 3.47Å
224	G	96.7	Very high	97.6	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	30%	0.299	S	S	.	.			trans	169.5	-38.6	175.1	0	0	0	0	0	112.2	R251	G224-R251 PolarHBondContact O-NH1 2.84Å; G224-R251 PolarHBondContact O-NH2 3.24Å
225	H	98.4	Very high	97.7	Very high	14 Å²	14	49 Å²	49	7%	0.065	27%	0.265	C	S	.	.			trans	-61.3	152.3	175.7	-78.4	-66.6	0	0	0	112.6	A206 I229 T243 S245 D247 T249 R251	A206-H225 HydrophobicContact CB-CB 4.44Å; H225-I229 HydrophobicContact CB-CD1 4.29Å; H225-I229 HydrophobicContact CB-CG1 4.12Å; H225-T243 WeakPolarHBondContact NE2-CB 3.41Å; H225-T243 PolarHBondContact NE2-OG1 3.34Å; H225-S245 VanDerWaalsContact CE1-CB 3.44Å; H225-S245 WeakPolarHBondContact CE1-CB 3.24Å; H225-S245 WeakPolarHBondContact ND1-CB 3.49Å; H225-D247 WeakPolarHBondContact CA-OD2 3.12Å; H225-D247 IonicContact CE1-OD1 3.07Å; H225-D247 IonicContact CE1-OD2 3.19Å; H225-D247 IonicContact CG-OD2 2.7Å; H225-D247 IonicContact ND1-OD1 3.2Å; H225-D247 PolarHBondContact ND1-OD1 3.42Å; H225-D247 IonicContact ND1-OD2 3.66Å; H225-D247 PolarHBondContact ND1-OD2 3.32Å; H225-T249 PolarHBondContact CE1-O 2.71Å; H225-T249 PolarHBondContact CE1-OG1 2.97Å; H225-T249 PolarHBondContact ND1-OG1 2.84Å; H225-R251 VanDerWaalsContact CE1-CD 3.47Å; H225-R251 WeakPolarHBondContact CE1-CD 3.29Å; H225-R251 PolarHBondContact ND1-NE 3.25Å
226	E	98.1	Very high	97.9	Very high	172 Å²	172	47.9 Å²	47.9	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-99.2	-9.8	179.7	-60.1	-174.5	175.1	0	0	112.7	D247	E226-D247 HydrophobicContact CB-CB 4.1Å; E226-D247 PolarHBondContact N-OD2 3.31Å
227	S	98.5	Very high	98.1	Very high	43 Å²	43	50.6 Å²	50.6	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-149.1	-169.4	-177.7	-162.2	0	0	0	0	111.6	A206 S245	A206-S227 WeakPolarHBondContact CB-O 3.29Å; S227-S245 PolarHBondContact O-OG 3.05Å
228	D	98.7	Very high	98.3	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.283	25%	0.253	S	S	.	.			trans	-60	140.8	-172.6	-64.6	3.2	0	0	0	111.4	C204 S245 D246	C204-D228 WeakPolarHBondContact CA-OD1 3.47Å; C204-D228 HydrophobicContact CB-CB 4.33Å; C204-D228 VanDerWaalsContact SG-CG 3.54Å; C204-D228 PolarHBondContact SG-OD2 2.84Å; D228-S245 CarbonylContact O-C 3.55Å; D228-S245 WeakPolarHBondContact O-CA 3.46Å; D228-S245 VanDerWaalsContact O-CB 3.23Å; D228-S245 WeakPolarHBondContact O-CB 3.49Å; D228-S245 PolarHBondContact O-OG 3.14Å; D228-D246 PolarHBondContact O-N 3.04Å
229	I	98.9	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101	179.4	-60.9	162.6	0	0	0	108.3	M188 A203 A206 I208 H225 V232 T243	M188-I229 WeakPolarHBondContact CB-O 3.31Å; A203-I229 PolarHBondContact O-N 2.87Å; A203-I229 VanDerWaalsContact O-N 3.13Å; A206-I229 VanDerWaalsContact C-CD1 3.42Å; I208-I229 HydrophobicContact CD1-CD1 3.46Å; I208-I229 VanDerWaalsContact CD1-CD1 3.46Å; I208-I229 HydrophobicContact CG1-CD1 3.73Å; H225-I229 HydrophobicContact CB-CD1 4.29Å; H225-I229 HydrophobicContact CB-CG1 4.12Å; I229-V232 HydrophobicContact CG2-CG1 3.91Å; I229-T243 HydrophobicContact CG2-CG2 4.5Å
230	N	98.8	Very high	98.3	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.144	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-27.6	-175.2	-63.4	-45.2	0	0	0	113.4	S189 G244 D246 I273	S189-N230 VanDerWaalsContact CB-O 3.28Å; S189-N230 WeakPolarHBondContact CB-O 3.31Å; N230-G244 PolarHBondContact N-O 2.81Å; N230-D246 VanDerWaalsContact ND2-CG 3.34Å; N230-D246 PolarHBondContact ND2-OD1 2.92Å; N230-I273 VanDerWaalsContact CB-O 3.29Å; N230-I273 WeakPolarHBondContact CB-O 3.37Å; N230-I273 PolarHBondContact ND2-O 3.17Å
231	A	98.8	Very high	98.3	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.8	-171.9	0	0	0	0	0	112.3	T243 G244 V276	A231-T243 CarbonylContact O-C 3.52Å; A231-T243 VanDerWaalsContact O-CA 3.26Å; A231-T243 WeakPolarHBondContact O-CA 3.15Å; A231-G244 PolarHBondContact N-O 3.04Å; A231-G244 PolarHBondContact O-N 3.33Å; A231-V276 HydrophobicContact CB-CG1 4.39Å; A231-V276 HydrophobicContact CB-CG2 3.93Å
232	V	98.8	Very high	98.4	Very high	10 Å²	10	35 Å²	35	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.3	173.1	-59.3	0	0	0	0	110.1	V200 I229 A242 T243	V200-V232 HydrophobicContact CG2-CB 4.21Å; V200-V232 HydrophobicContact CG2-CG2 4.13Å; I229-V232 HydrophobicContact CG2-CG1 3.91Å; V232-A242 CarbonylContact C-O 3.6Å; V232-A242 WeakPolarHBondContact CA-O 3.42Å; V232-T243 HydrophobicContact CG1-CG2 4.15Å
233	C	98.8	Very high	98.4	Very high	24 Å²	24	34.9 Å²	34.9	16%	0.162	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	125	178	-177.5	0	0	0	0	110.8	F241 A242 V276	C233-F241 CarbonylContact O-C 3.55Å; C233-F241 VanDerWaalsContact O-CA 3.28Å; C233-F241 WeakPolarHBondContact O-CA 3.48Å; C233-F241 WeakPolarHBondContact O-CB 3.47Å; C233-A242 PolarHBondContact N-O 3.24Å; C233-A242 PolarHBondContact O-N 3.17Å; C233-V276 HydrophobicContact CB-CG2 3.87Å
234	F	98.8	Very high	98.4	Very high	13 Å²	13	30.9 Å²	30.9	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.6	171.3	-93.8	-79.4	0	0	0	112.1	S191 L192 S193 V200 L210 F241 L255	S191-F234 WeakPolarHBondContact O-CD2 3.36Å; S191-F234 WeakPolarHBondContact O-CE2 3.12Å; S191-F234 PolarHBondContact OG-N 2.96Å; L192-F234 WeakPolarHBondContact O-CD2 3.37Å; S193-F234 VanDerWaalsContact N-CE2 3.28Å; V200-F234 HydrophobicContact CB-CE2 4.22Å; V200-F234 HydrophobicContact CB-CZ 4.46Å; V200-F234 HydrophobicContact CG1-CE1 4.36Å; V200-F234 HydrophobicContact CG1-CE2 3.92Å; V200-F234 HydrophobicContact CG1-CZ 3.68Å; V200-F234 HydrophobicContact CG2-CD2 3.95Å; V200-F234 HydrophobicContact CG2-CE2 3.7Å; V200-F234 HydrophobicContact CG2-CZ 4.27Å; L210-F234 HydrophobicContact CD1-CZ 4.18Å; F234-F241 HydrophobicContact CD1-CB 4.41Å; F234-L255 HydrophobicContact CE1-CD1 4.38Å
235	F	98.6	Very high	98.5	Very high	28 Å²	28	29.4 Å²	29.4	12%	0.123	17%	0.167	C	C	.	.			trans	-69	147.7	165.4	-169.7	-92.4	0	0	0	109.6	N237 G238 A240 F278 G282	F235-N237 HydrophobicContact CD1-CB 4.15Å; F235-N237 VanDerWaalsContact CD1-CG 3.49Å; F235-N237 VanDerWaalsContact CD1-OD1 3.28Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.38Å; F235-N237 HydrophobicContact CE1-CB 4.37Å; F235-N237 PolarHBondContact O-N 2.86Å; F235-G238 PolarHBondContact O-N 2.64Å; F235-A240 HydrophobicContact CB-CB 3.85Å; F235-A240 WeakPolarHBondContact CB-O 3.37Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 3.08Å; F235-F278 HydrophobicContact CB-CD2 4.37Å; F235-F278 HydrophobicContact CB-CE2 4.12Å; F235-F278 AromaticContact CD2-CD1 3.91Å; F235-F278 HydrophobicContact CD2-CD1 3.91Å; F235-F278 HydrophobicContact CD2-CD2 4.14Å; F235-F278 AromaticContact CD2-CE1 3.68Å; F235-F278 HydrophobicContact CD2-CE1 3.68Å; F235-F278 AromaticContact CD2-CE2 3.9Å; F235-F278 HydrophobicContact CD2-CE2 3.9Å; F235-F278 HydrophobicContact CD2-CG 4.13Å; F235-F278 AromaticContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CE2-CD1 4.17Å; F235-F278 HydrophobicContact CE2-CE1 4.04Å; F235-F278 HydrophobicContact CE2-CZ 4.45Å; F235-G282 VanDerWaalsContact CE2-CA 3.45Å; F235-G282 WeakPolarHBondContact CE2-O 3.33Å
236	P	97.9	Very high	98.5	Very high	59 Å²	59	31.8 Å²	31.8	38%	0.383	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.3	-172.2	-30.6	36.2	0	0	0	116.6	P194 F278	P194-P236 WeakPolarHBondContact CG-O 3.45Å; P236-F278 HydrophobicContact CG-CB 4.3Å
237	N	97.3	Very high	98.5	Very high	101 Å²	101	25 Å²	25	54%	0.54	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.1	178.2	75.2	4.5	0	0	0	114.4	F235 S239	F235-N237 HydrophobicContact CD1-CB 4.15Å; F235-N237 VanDerWaalsContact CD1-CG 3.49Å; F235-N237 VanDerWaalsContact CD1-OD1 3.28Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.38Å; F235-N237 HydrophobicContact CE1-CB 4.37Å; F235-N237 PolarHBondContact O-N 2.86Å; N237-S239 VanDerWaalsContact C-N 3.26Å; N237-S239 PolarHBondContact O-N 3.31Å; N237-S239 WeakPolarHBondContact OD1-CB 3.22Å; N237-S239 PolarHBondContact OD1-N 2.52Å
238	G	97.7	Very high	98.5	Very high	17 Å²	17	23.4 Å²	23.4	18%	0.175	14%	0.139	C	C	.	.	S	Bend	trans	73.8	1.4	-179.2	0	0	0	0	0	116.5	F235 L255	F235-G238 PolarHBondContact O-N 2.64Å; G238-L255 WeakPolarHBondContact O-CD1 3.24Å
239	S	98.1	Very high	98.5	Very high	43 Å²	43	21.8 Å²	21.8	30%	0.301	13%	0.131	S	C	.	.	S	Bend	trans	-95	-9.5	-178.8	-56.9	0	0	0	0	114	N237 L255	N237-S239 VanDerWaalsContact C-N 3.26Å; N237-S239 PolarHBondContact O-N 3.31Å; N237-S239 WeakPolarHBondContact OD1-CB 3.22Å; N237-S239 PolarHBondContact OD1-N 2.52Å; S239-L255 WeakPolarHBondContact O-CG 3.25Å; S239-L255 PolarHBondContact O-N 2.7Å
240	A	98.6	Very high	98.5	Very high	8 Å²	8	21.8 Å²	21.8	7%	0.066	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.5	-178.5	0	0	0	0	0	110.2	F235 L252 F253	F235-A240 HydrophobicContact CB-CB 3.85Å; F235-A240 WeakPolarHBondContact CB-O 3.37Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 3.08Å; A240-L252 HydrophobicContact CB-CD1 3.96Å; A240-F253 CarbonylContact C-O 3.55Å; A240-F253 WeakPolarHBondContact CA-O 3.24Å; A240-F253 WeakPolarHBondContact CB-O 3.22Å
241	F	98.9	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.3	174.2	62	-91.6	0	0	0	111	V200 I208 F222 C233 F234 T243 L252 F253 L255	V200-F241 HydrophobicContact CG1-CD1 3.91Å; V200-F241 HydrophobicContact CG1-CE1 4.09Å; V200-F241 HydrophobicContact CG1-CG 4.26Å; V200-F241 HydrophobicContact CG2-CB 4.37Å; V200-F241 HydrophobicContact CG2-CG 4.34Å; I208-F241 HydrophobicContact CB-CE2 4.09Å; I208-F241 HydrophobicContact CB-CZ 4.23Å; I208-F241 HydrophobicContact CG1-CE2 4.11Å; I208-F241 HydrophobicContact CG2-CD2 4.42Å; I208-F241 HydrophobicContact CG2-CE2 3.61Å; I208-F241 HydrophobicContact CG2-CZ 3.79Å; F222-F241 HydrophobicContact CB-CZ 4.3Å; F222-F241 HydrophobicContact CD1-CE1 4.45Å; F222-F241 HydrophobicContact CD1-CZ 4.14Å; F222-F241 AromaticContact CD2-CE1 3.91Å; F222-F241 HydrophobicContact CD2-CE1 3.91Å; F222-F241 AromaticContact CD2-CZ 3.53Å; F222-F241 HydrophobicContact CD2-CZ 3.53Å; F222-F241 HydrophobicContact CE1-CE1 4.21Å; F222-F241 HydrophobicContact CE1-CZ 4.36Å; F222-F241 AromaticContact CE2-CE1 3.67Å; F222-F241 HydrophobicContact CE2-CE1 3.67Å; F222-F241 AromaticContact CE2-CZ 3.82Å; F222-F241 HydrophobicContact CE2-CZ 3.82Å; F222-F241 HydrophobicContact CG-CE1 4.31Å; F222-F241 AromaticContact CG-CZ 3.73Å; F222-F241 HydrophobicContact CG-CZ 3.73Å; F222-F241 AromaticContact CZ-CE1 3.84Å; F222-F241 HydrophobicContact CZ-CE1 3.84Å; F222-F241 HydrophobicContact CZ-CZ 4.23Å; C233-F241 CarbonylContact O-C 3.55Å; C233-F241 VanDerWaalsContact O-CA 3.28Å; C233-F241 WeakPolarHBondContact O-CA 3.48Å; C233-F241 WeakPolarHBondContact O-CB 3.47Å; F234-F241 HydrophobicContact CD1-CB 4.41Å; F241-T243 HydrophobicContact CD2-CG2 3.85Å; F241-T243 HydrophobicContact CE2-CG2 3.73Å; F241-L252 WeakPolarHBondContact O-CA 3.41Å; F241-L252 WeakPolarHBondContact O-CD1 3.45Å; F241-F253 HydrophobicContact CD1-CB 4.26Å; F241-F253 HydrophobicContact CD2-CB 4.21Å; F241-F253 HydrophobicContact CD2-CD2 4.2Å; F241-F253 HydrophobicContact CE1-CB 3.72Å; F241-F253 HydrophobicContact CE2-CB 3.65Å; F241-F253 AromaticContact CE2-CD2 3.49Å; F241-F253 HydrophobicContact CE2-CD2 3.49Å; F241-F253 VanDerWaalsContact CE2-CD2 3.49Å; F241-F253 HydrophobicContact CE2-CE2 4.39Å; F241-F253 AromaticContact CE2-CG 3.79Å; F241-F253 HydrophobicContact CE2-CG 3.79Å; F241-F253 HydrophobicContact CG-CB 4.49Å; F241-F253 HydrophobicContact CZ-CB 3.38Å; F241-F253 AromaticContact CZ-CD2 3.98Å; F241-F253 HydrophobicContact CZ-CD2 3.98Å; F241-F253 AromaticContact CZ-CG 3.78Å; F241-F253 HydrophobicContact CZ-CG 3.78Å; F241-F253 PolarHBondContact N-O 3.21Å; F241-F253 PolarHBondContact O-N 3.44Å; F241-L255 HydrophobicContact CD1-CD2 3.8Å; F241-L255 HydrophobicContact CE1-CD2 3.63Å
242	A	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	153.6	172.4	0	0	0	0	0	111.6	V232 C233 R251 F278 L285	V232-A242 CarbonylContact C-O 3.6Å; V232-A242 WeakPolarHBondContact CA-O 3.42Å; C233-A242 PolarHBondContact N-O 3.24Å; C233-A242 PolarHBondContact O-N 3.17Å; A242-R251 CarbonylContact C-O 3.54Å; A242-R251 WeakPolarHBondContact CA-O 3.46Å; A242-F278 HydrophobicContact CB-CD2 4.46Å; A242-F278 HydrophobicContact CB-CE2 3.42Å; A242-F278 VanDerWaalsContact CB-CE2 3.42Å; A242-F278 HydrophobicContact CB-CZ 3.52Å; A242-L285 HydrophobicContact CB-CD1 3.69Å; A242-L285 HydrophobicContact CB-CD2 4.16Å
243	T	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.9	178.7	57.5	0	0	0	0	110	I208 H225 I229 A231 V232 F241 C250 R251 F253	I208-T243 HydrophobicContact CD1-CG2 3.89Å; I208-T243 HydrophobicContact CG1-CG2 3.69Å; H225-T243 WeakPolarHBondContact NE2-CB 3.41Å; H225-T243 PolarHBondContact NE2-OG1 3.34Å; I229-T243 HydrophobicContact CG2-CG2 4.5Å; A231-T243 CarbonylContact O-C 3.52Å; A231-T243 VanDerWaalsContact O-CA 3.26Å; A231-T243 WeakPolarHBondContact O-CA 3.15Å; V232-T243 HydrophobicContact CG1-CG2 4.15Å; F241-T243 HydrophobicContact CD2-CG2 3.85Å; F241-T243 HydrophobicContact CE2-CG2 3.73Å; T243-C250 WeakPolarHBondContact O-CA 3.39Å; T243-C250 VanDerWaalsContact O-CB 3.26Å; T243-C250 WeakPolarHBondContact O-CB 3.46Å; T243-R251 PolarHBondContact N-O 2.81Å; T243-R251 PolarHBondContact O-N 3.34Å; T243-R251 VanDerWaalsContact O-N 3.16Å; T243-R251 PolarHBondContact OG1-O 2.73Å; T243-F253 HydrophobicContact CG2-CD2 3.96Å; T243-F253 HydrophobicContact CG2-CE2 3.87Å
244	G	98.8	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.9	169.9	0	0	0	0	0	110	N230 A231	N230-G244 PolarHBondContact N-O 2.81Å; A231-G244 PolarHBondContact N-O 3.04Å; A231-G244 PolarHBondContact O-N 3.33Å
245	S	98.8	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.4	-171	175.7	0	0	0	0	113	H225 S227 D228 D247 A248 T249 I273	H225-S245 VanDerWaalsContact CE1-CB 3.44Å; H225-S245 WeakPolarHBondContact CE1-CB 3.24Å; H225-S245 WeakPolarHBondContact ND1-CB 3.49Å; S227-S245 PolarHBondContact O-OG 3.05Å; D228-S245 CarbonylContact O-C 3.55Å; D228-S245 WeakPolarHBondContact O-CA 3.46Å; D228-S245 VanDerWaalsContact O-CB 3.23Å; D228-S245 WeakPolarHBondContact O-CB 3.49Å; D228-S245 PolarHBondContact O-OG 3.14Å; S245-D247 WeakPolarHBondContact CB-OD1 3.46Å; S245-D247 PolarHBondContact O-N 2.93Å; S245-D247 PolarHBondContact OG-N 2.91Å; S245-D247 PolarHBondContact OG-OD1 2.88Å; S245-A248 PolarHBondContact O-N 3.12Å; S245-T249 PolarHBondContact N-O 2.9Å; S245-I273 PolarHBondContact O-N 3.45Å
246	D	98.7	Very high	98.5	Very high	64 Å²	64	30.5 Å²	30.5	34%	0.342	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.6	168.4	-80.1	-15.2	0	0	0	113.5	D228 N230 A248	D228-D246 PolarHBondContact O-N 3.04Å; N230-D246 VanDerWaalsContact ND2-CG 3.34Å; N230-D246 PolarHBondContact ND2-OD1 2.92Å; D246-A248 PolarHBondContact O-N 3.02Å; D246-A248 VanDerWaalsContact O-N 3.11Å
247	D	98.3	Very high	98.5	Very high	31 Å²	31	29.1 Å²	29.1	17%	0.166	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	9	169.3	73	12	0	0	0	113.9	H225 E226 S245 T249 R251	H225-D247 WeakPolarHBondContact CA-OD2 3.12Å; H225-D247 IonicContact CE1-OD1 3.07Å; H225-D247 IonicContact CE1-OD2 3.19Å; H225-D247 IonicContact CG-OD2 2.7Å; H225-D247 IonicContact ND1-OD1 3.2Å; H225-D247 PolarHBondContact ND1-OD1 3.42Å; H225-D247 IonicContact ND1-OD2 3.66Å; H225-D247 PolarHBondContact ND1-OD2 3.32Å; E226-D247 HydrophobicContact CB-CB 4.1Å; E226-D247 PolarHBondContact N-OD2 3.31Å; S245-D247 WeakPolarHBondContact CB-OD1 3.46Å; S245-D247 PolarHBondContact O-N 2.93Å; S245-D247 PolarHBondContact OG-N 2.91Å; S245-D247 PolarHBondContact OG-OD1 2.88Å; D247-T249 VanDerWaalsContact CG-OG1 3.3Å; D247-T249 PolarHBondContact O-N 2.97Å; D247-T249 WeakPolarHBondContact OD1-CA 3.42Å; D247-T249 VanDerWaalsContact OD1-CB 3.32Å; D247-T249 WeakPolarHBondContact OD1-CB 3.42Å; D247-T249 PolarHBondContact OD1-N 2.87Å; D247-T249 PolarHBondContact OD1-OG1 3.28Å; D247-T249 PolarHBondContact OD2-OG1 3.09Å; D247-R251 IonicContact OD2-NH2 2.77Å
248	A	98.3	Very high	98.5	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.136	C	C	.	.	S	Bend	trans	63.6	13.1	-178.1	0	0	0	0	0	115.1	S245 D246 I269 C271	S245-A248 PolarHBondContact O-N 3.12Å; D246-A248 PolarHBondContact O-N 3.02Å; D246-A248 VanDerWaalsContact O-N 3.11Å; A248-I269 WeakPolarHBondContact CB-O 3.2Å; A248-C271 WeakPolarHBondContact CA-O 3.31Å; A248-C271 VanDerWaalsContact CB-O 3.24Å; A248-C271 WeakPolarHBondContact CB-O 3.16Å
249	T	98.6	Very high	98.5	Very high	18 Å²	18	27.4 Å²	27.4	11%	0.11	14%	0.138	C	C	.	.			trans	-112.5	142.9	178.7	76.6	0	0	0	0	112.8	H225 S245 D247 L263 I273	H225-T249 PolarHBondContact CE1-O 2.71Å; H225-T249 PolarHBondContact CE1-OG1 2.97Å; H225-T249 PolarHBondContact ND1-OG1 2.84Å; S245-T249 PolarHBondContact N-O 2.9Å; D247-T249 VanDerWaalsContact CG-OG1 3.3Å; D247-T249 PolarHBondContact O-N 2.97Å; D247-T249 WeakPolarHBondContact OD1-CA 3.42Å; D247-T249 VanDerWaalsContact OD1-CB 3.32Å; D247-T249 WeakPolarHBondContact OD1-CB 3.42Å; D247-T249 PolarHBondContact OD1-N 2.87Å; D247-T249 PolarHBondContact OD1-OG1 3.28Å; D247-T249 PolarHBondContact OD2-OG1 3.09Å; T249-L263 HydrophobicContact CG2-CD1 3.96Å; T249-I273 WeakPolarHBondContact O-CD1 3.04Å
250	C	98.8	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.4	158.6	-56.5	0	0	0	0	109	T243 Y264 I273 L285 A287	T243-C250 WeakPolarHBondContact O-CA 3.39Å; T243-C250 VanDerWaalsContact O-CB 3.26Å; T243-C250 WeakPolarHBondContact O-CB 3.46Å; C250-Y264 HydrophobicContact CB-CD2 3.94Å; C250-Y264 HydrophobicContact CB-CG 4.44Å; C250-Y264 PolarHBondContact N-O 3.07Å; C250-Y264 WeakPolarHBondContact O-CD2 3.15Å; C250-Y264 PolarHBondContact O-N 3.37Å; C250-I273 WeakPolarHBondContact SG-CD1 3.16Å; C250-L285 HydrophobicContact CB-CD2 4.01Å; C250-A287 VanDerWaalsContact SG-CB 3.57Å
251	R	98.8	Very high	98.4	Very high	28 Å²	28	30.4 Å²	30.4	11%	0.106	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	173.8	-67	171.3	-171.8	-133.2	12.7	110.6	G224 H225 A242 T243 D247 F253 E260 S262 L263	G224-R251 PolarHBondContact O-NH1 2.84Å; G224-R251 PolarHBondContact O-NH2 3.24Å; H225-R251 VanDerWaalsContact CE1-CD 3.47Å; H225-R251 WeakPolarHBondContact CE1-CD 3.29Å; H225-R251 PolarHBondContact ND1-NE 3.25Å; A242-R251 CarbonylContact C-O 3.54Å; A242-R251 WeakPolarHBondContact CA-O 3.46Å; T243-R251 PolarHBondContact N-O 2.81Å; T243-R251 PolarHBondContact O-N 3.34Å; T243-R251 VanDerWaalsContact O-N 3.16Å; T243-R251 PolarHBondContact OG1-O 2.73Å; D247-R251 IonicContact OD2-NH2 2.77Å; R251-F253 HydrophobicContact CB-CD2 4.21Å; R251-F253 HydrophobicContact CB-CE2 3.53Å; R251-F253 HydrophobicContact CB-CZ 4.01Å; R251-E260 HydrophobicContact CB-CG 4.24Å; R251-E260 WeakPolarHBondContact CD-OE2 3.3Å; R251-E260 HydrophobicContact CG-CG 4.43Å; R251-E260 IonicContact CZ-OE2 3.88Å; R251-E260 IonicContact NE-OE2 2.81Å; R251-E260 IonicContact NH1-OE2 3.34Å; R251-E260 PolarHBondContact NH1-OE2 2.96Å; R251-S262 CarbonylContact C-O 3.57Å; R251-S262 WeakPolarHBondContact CA-O 3.49Å; R251-L263 HydrophobicContact CG-CD1 3.62Å
252	L	98.8	Very high	98.3	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.6	171.2	174	60.2	0	0	0	108.5	L30 A240 F241 E260 L261 S262 Y264 F278	L30-L252 HydrophobicContact CD2-CD2 4.03Å; A240-L252 HydrophobicContact CB-CD1 3.96Å; F241-L252 WeakPolarHBondContact O-CA 3.41Å; F241-L252 WeakPolarHBondContact O-CD1 3.45Å; L252-E260 CarbonylContact O-C 3.57Å; L252-E260 WeakPolarHBondContact O-CA 3.49Å; L252-L261 HydrophobicContact CD2-CB 4.5Å; L252-L261 HydrophobicContact CG-CB 4.35Å; L252-L261 PolarHBondContact O-N 2.87Å; L252-S262 PolarHBondContact N-O 3.11Å; L252-S262 PolarHBondContact O-N 2.77Å; L252-Y264 HydrophobicContact CB-CE2 3.92Å; L252-F278 HydrophobicContact CD1-CZ 4Å
253	F	98.8	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.8	177.2	-66.4	-89.4	0	0	0	110.6	I208 F222 A240 F241 T243 R251 E260	I208-F253 HydrophobicContact CD1-CE2 3.88Å; I208-F253 HydrophobicContact CD1-CZ 4.08Å; F222-F253 HydrophobicContact CB-CD1 3.94Å; F222-F253 HydrophobicContact CB-CE1 4.04Å; F222-F253 HydrophobicContact CB-CG 4.47Å; F222-F253 HydrophobicContact CD1-CB 4.16Å; F222-F253 AromaticContact CD1-CD1 3.81Å; F222-F253 HydrophobicContact CD1-CD1 3.81Å; F222-F253 HydrophobicContact CD1-CG 4.27Å; F222-F253 HydrophobicContact CE1-CB 4.45Å; F222-F253 HydrophobicContact CG-CD1 4.21Å; A240-F253 CarbonylContact C-O 3.55Å; A240-F253 WeakPolarHBondContact CA-O 3.24Å; A240-F253 WeakPolarHBondContact CB-O 3.22Å; F241-F253 HydrophobicContact CD1-CB 4.26Å; F241-F253 HydrophobicContact CD2-CB 4.21Å; F241-F253 HydrophobicContact CD2-CD2 4.2Å; F241-F253 HydrophobicContact CE1-CB 3.72Å; F241-F253 HydrophobicContact CE2-CB 3.65Å; F241-F253 AromaticContact CE2-CD2 3.49Å; F241-F253 HydrophobicContact CE2-CD2 3.49Å; F241-F253 VanDerWaalsContact CE2-CD2 3.49Å; F241-F253 HydrophobicContact CE2-CE2 4.39Å; F241-F253 AromaticContact CE2-CG 3.79Å; F241-F253 HydrophobicContact CE2-CG 3.79Å; F241-F253 HydrophobicContact CG-CB 4.49Å; F241-F253 HydrophobicContact CZ-CB 3.38Å; F241-F253 AromaticContact CZ-CD2 3.98Å; F241-F253 HydrophobicContact CZ-CD2 3.98Å; F241-F253 AromaticContact CZ-CG 3.78Å; F241-F253 HydrophobicContact CZ-CG 3.78Å; F241-F253 PolarHBondContact N-O 3.21Å; F241-F253 PolarHBondContact O-N 3.44Å; T243-F253 HydrophobicContact CG2-CD2 3.96Å; T243-F253 HydrophobicContact CG2-CE2 3.87Å; R251-F253 HydrophobicContact CB-CD2 4.21Å; R251-F253 HydrophobicContact CB-CE2 3.53Å; R251-F253 HydrophobicContact CB-CZ 4.01Å; F253-E260 HydrophobicContact CD1-CB 3.99Å; F253-E260 HydrophobicContact CE1-CB 3.75Å; F253-E260 HydrophobicContact CZ-CB 4.36Å
254	D	98.6	Very high	98.2	Very high	18 Å²	18	34.5 Å²	34.5	10%	0.096	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	172.6	178	-74.9	0	0	0	110.7	R256 A257 D258 Q259 L261	D254-R256 VanDerWaalsContact C-N 3.33Å; D254-R256 PolarHBondContact O-N 3.01Å; D254-R256 WeakPolarHBondContact OD1-CA 3.35Å; D254-R256 WeakPolarHBondContact OD1-CB 3.26Å; D254-R256 PolarHBondContact OD1-N 3.16Å; D254-R256 IonicContact OD2-NH2 3.85Å; D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact OD1-N 2.77Å; D254-D258 PolarHBondContact O-N 3.19Å; D254-Q259 PolarHBondContact N-O 3.22Å; D254-L261 HydrophobicContact CB-CD1 3.56Å; D254-L261 HydrophobicContact CB-CD2 4.07Å; D254-L261 HydrophobicContact CB-CG 3.73Å
255	L	98.4	Very high	98.1	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.141	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.3	-174.6	-60.5	-173.3	0	0	0	112.7	L210 Q220 F222 F234 G238 S239 F241	L210-L255 HydrophobicContact CD1-CD1 4.39Å; L210-L255 HydrophobicContact CD1-CD2 4.3Å; L210-L255 HydrophobicContact CD2-CD1 4.26Å; L210-L255 HydrophobicContact CD2-CD2 4.08Å; Q220-L255 PolarHBondContact NE2-O 3.07Å; Q220-L255 PolarHBondContact OE1-O 3.29Å; F222-L255 HydrophobicContact CE2-CD2 4.11Å; F222-L255 HydrophobicContact CZ-CD2 3.65Å; F234-L255 HydrophobicContact CE1-CD1 4.38Å; G238-L255 WeakPolarHBondContact O-CD1 3.24Å; S239-L255 WeakPolarHBondContact O-CG 3.25Å; S239-L255 PolarHBondContact O-N 2.7Å; F241-L255 HydrophobicContact CD1-CD2 3.8Å; F241-L255 HydrophobicContact CE1-CD2 3.63Å
256	R	98.3	Very high	97.9	Very high	206 Å²	206	40.6 Å²	40.6	78%	0.777	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-34.2	-177.6	-58.8	174.6	-63.1	159.7	4.4	111.3	D254 D258	D254-R256 VanDerWaalsContact C-N 3.33Å; D254-R256 PolarHBondContact O-N 3.01Å; D254-R256 WeakPolarHBondContact OD1-CA 3.35Å; D254-R256 WeakPolarHBondContact OD1-CB 3.26Å; D254-R256 PolarHBondContact OD1-N 3.16Å; D254-R256 IonicContact OD2-NH2 3.85Å; R256-D258 VanDerWaalsContact C-N 3.25Å
257	A	97.6	Very high	97.4	Very high	31 Å²	31	44.9 Å²	44.9	26%	0.256	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.2	173.3	0	0	0	0	0	112.3	D254 Q259 L261	D254-A257 HydrophobicContact CB-CB 4.01Å; D254-A257 PolarHBondContact OD1-N 2.77Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.19Å; A257-Q259 PolarHBondContact O-N 2.86Å; A257-L261 HydrophobicContact CB-CD2 4.28Å
258	D	98.4	Very high	97.1	Very high	37 Å²	37	50 Å²	50	20%	0.198	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.3	-175.8	-167.8	58.9	0	0	0	113	R22 Q220 D254 R256	R22-D258 WeakPolarHBondContact CD-O 3.48Å; R22-D258 VanDerWaalsContact CZ-O 3.26Å; R22-D258 IonicContact CZ-OD2 2.81Å; R22-D258 PolarHBondContact NE-O 2.91Å; R22-D258 IonicContact NE-OD2 3.52Å; R22-D258 PolarHBondContact NE-OD2 2.86Å; R22-D258 PolarHBondContact NH2-O 3Å; R22-D258 IonicContact NH2-OD1 3.82Å; R22-D258 PolarHBondContact NH2-OD1 2.84Å; R22-D258 IonicContact NH2-OD2 3.4Å; R22-D258 PolarHBondContact NH2-OD2 2.88Å; Q220-D258 PolarHBondContact NE2-OD1 2.91Å; Q220-D258 VanDerWaalsContact NE2-OD1 3.14Å; D254-D258 PolarHBondContact O-N 3.19Å; R256-D258 VanDerWaalsContact C-N 3.25Å
259	Q	97.3	Very high	96.8	Very high	44 Å²	44	50.3 Å²	50.3	21%	0.206	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.1	-176.8	66.7	-171.7	-24.5	0	0	112.3	R22 D254 A257	R22-Q259 PolarHBondContact O-NE2 2.97Å; R22-Q259 PolarHBondContact O-OE1 2.96Å; D254-Q259 PolarHBondContact N-O 3.22Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.19Å; A257-Q259 PolarHBondContact O-N 2.86Å
260	E	97.6	Very high	96.6	Very high	57 Å²	57	56.7 Å²	56.7	27%	0.266	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.3	175	-177.8	-175.8	148	0	0	111.1	R251 L252 F253 L263	R251-E260 HydrophobicContact CB-CG 4.24Å; R251-E260 WeakPolarHBondContact CD-OE2 3.3Å; R251-E260 HydrophobicContact CG-CG 4.43Å; R251-E260 IonicContact CZ-OE2 3.88Å; R251-E260 IonicContact NE-OE2 2.81Å; R251-E260 IonicContact NH1-OE2 3.34Å; R251-E260 PolarHBondContact NH1-OE2 2.96Å; L252-E260 CarbonylContact O-C 3.57Å; L252-E260 WeakPolarHBondContact O-CA 3.49Å; F253-E260 HydrophobicContact CD1-CB 3.99Å; F253-E260 HydrophobicContact CE1-CB 3.75Å; F253-E260 HydrophobicContact CZ-CB 4.36Å; E260-L263 WeakPolarHBondContact OE1-CB 3.45Å; E260-L263 PolarHBondContact OE1-N 3.33Å
261	L	97.5	Very high	96.5	Very high	58 Å²	58	58 Å²	58	30%	0.304	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-32.2	171.9	-64.9	-170.6	0	0	0	113.2	L30 L252 D254 A257	L30-L261 WeakPolarHBondContact CB-O 3.15Å; L252-L261 HydrophobicContact CD2-CB 4.5Å; L252-L261 HydrophobicContact CG-CB 4.35Å; L252-L261 PolarHBondContact O-N 2.87Å; D254-L261 HydrophobicContact CB-CD1 3.56Å; D254-L261 HydrophobicContact CB-CD2 4.07Å; D254-L261 HydrophobicContact CB-CG 3.73Å; A257-L261 HydrophobicContact CB-CD2 4.28Å
262	S	97.3	Very high	96.4	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	146.1	-176.3	-69.7	0	0	0	0	113.2	L30 R251 L252	L30-S262 VanDerWaalsContact CB-OG 3.29Å; L30-S262 WeakPolarHBondContact CB-OG 3.11Å; L30-S262 VanDerWaalsContact CD2-OG 3.29Å; L30-S262 WeakPolarHBondContact CD2-OG 3.22Å; R251-S262 CarbonylContact C-O 3.57Å; R251-S262 WeakPolarHBondContact CA-O 3.49Å; L252-S262 PolarHBondContact N-O 3.11Å; L252-S262 PolarHBondContact O-N 2.77Å
263	L	97.6	Very high	96.4	Very high	77 Å²	77	56.6 Å²	56.6	40%	0.403	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.4	172.3	-173.8	67.6	0	0	0	109.4	T249 R251 E260	T249-L263 HydrophobicContact CG2-CD1 3.96Å; R251-L263 HydrophobicContact CG-CD1 3.62Å; E260-L263 WeakPolarHBondContact OE1-CB 3.45Å; E260-L263 PolarHBondContact OE1-N 3.33Å
264	Y	98.1	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.3	172.4	-46.5	-90.9	0	0	0	108.6	C250 L252 L285 W297 A299	C250-Y264 HydrophobicContact CB-CD2 3.94Å; C250-Y264 HydrophobicContact CB-CG 4.44Å; C250-Y264 PolarHBondContact N-O 3.07Å; C250-Y264 WeakPolarHBondContact O-CD2 3.15Å; C250-Y264 PolarHBondContact O-N 3.37Å; L252-Y264 HydrophobicContact CB-CE2 3.92Å; Y264-L285 HydrophobicContact CD2-CD2 3.67Å; Y264-L285 HydrophobicContact CE2-CD2 3.66Å; Y264-L285 HydrophobicContact CG-CD2 4.2Å; Y264-W297 HydrophobicContact CD1-CB 3.92Å; Y264-W297 HydrophobicContact CD1-CD2 4.45Å; Y264-W297 HydrophobicContact CD1-CE3 4.37Å; Y264-W297 HydrophobicContact CD1-CG 4.29Å; Y264-W297 HydrophobicContact CE1-CB 4.47Å; Y264-W297 HydrophobicContact CG-CB 4.47Å; Y264-W297 HydrophobicContact CG-CG 4.45Å; Y264-A299 WeakPolarHBondContact OH-CA 3.46Å; Y264-A299 PolarHBondContact OH-O 3.11Å
265	S	96.1	Very high	96.4	Very high	56 Å²	56	57.1 Å²	57.1	39%	0.392	30%	0.296	S	S	.	.			trans	-147.7	164.6	-179.1	63.9	0	0	0	0	110.1
266	H	93.3	Very high	96.4	Very high	71 Å²	71	56.3 Å²	56.3	33%	0.329	29%	0.293	S	S	.	.			trans	-151.3	137.5	173.7	-171.1	69.6	0	0	0	109	N268 I269 W297	H266-N268 PolarHBondContact NE2-ND2 3.27Å; H266-N268 PolarHBondContact O-N 2.76Å; H266-I269 HydrophobicContact CB-CD1 3.83Å; H266-I269 HydrophobicContact CB-CG1 4.04Å; H266-I269 PolarHBondContact O-N 3.03Å; H266-W297 HydrophobicContact CB-CH2 4.08Å
267	D	88.8	Confident	96.5	Very high	155 Å²	155	47 Å²	47	83%	0.829	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.9	-170.9	-57.9	-23.7	0	0	0	114.5
268	N	91.3	Very high	96.5	Very high	137 Å²	137	46.1 Å²	46.1	73%	0.733	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.5	178.1	-60.2	-51.7	0	0	0	113.7	H266	H266-N268 PolarHBondContact NE2-ND2 3.27Å; H266-N268 PolarHBondContact O-N 2.76Å
269	I	92.4	Very high	96.5	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.082	25%	0.246	C	C	.	.			trans	-102.7	106.1	-179.4	-56.4	176.6	0	0	0	107.7	A248 H266 Y289 W297	A248-I269 WeakPolarHBondContact CB-O 3.2Å; H266-I269 HydrophobicContact CB-CD1 3.83Å; H266-I269 HydrophobicContact CB-CG1 4.04Å; H266-I269 PolarHBondContact O-N 3.03Å; I269-Y289 HydrophobicContact CG2-CD1 3.73Å; I269-Y289 HydrophobicContact CG2-CE1 3.53Å; I269-W297 HydrophobicContact CD1-CH2 4.28Å; I269-W297 HydrophobicContact CD1-CZ2 4.03Å
270	I	94.8	Very high	96.6	Very high	153 Å²	153	51 Å²	51	79%	0.785	27%	0.266	S	S	*	.			trans	-118.1	8.3	-179.9	61	168.7	0	0	0	112.6
271	C	96.6	Very high	96.6	Very high	28 Å²	28	52.5 Å²	52.5	19%	0.189	28%	0.283	C	S	.	.	S	Bend	trans	-103.4	151.3	-176	67.8	0	0	0	0	110.9	A248 D290 D291	A248-C271 WeakPolarHBondContact CA-O 3.31Å; A248-C271 VanDerWaalsContact CB-O 3.24Å; A248-C271 WeakPolarHBondContact CB-O 3.16Å; C271-D290 HydrophobicContact CB-CB 4.07Å; C271-D291 VanDerWaalsContact SG-CB 3.6Å
272	G	97.6	Very high	96.6	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.1	152.2	-177.9	0	0	0	0	0	113.2	D290	G272-D290 PolarHBondContact O-N 3.5Å
273	I	98.8	Very high	96.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.3	174.2	-64.8	143.9	0	0	0	108.7	N230 S245 T249 C250 V276 A287 G288 Y289	N230-I273 VanDerWaalsContact CB-O 3.29Å; N230-I273 WeakPolarHBondContact CB-O 3.37Å; N230-I273 PolarHBondContact ND2-O 3.17Å; S245-I273 PolarHBondContact O-N 3.45Å; T249-I273 WeakPolarHBondContact O-CD1 3.04Å; C250-I273 WeakPolarHBondContact SG-CD1 3.16Å; I273-V276 HydrophobicContact CG2-CG1 3.79Å; I273-A287 HydrophobicContact CG2-CB 4.26Å; I273-G288 WeakPolarHBondContact CA-O 3.44Å; I273-Y289 HydrophobicContact CD1-CE1 3.86Å; I273-Y289 HydrophobicContact CG1-CD1 3.63Å; I273-Y289 HydrophobicContact CG1-CE1 3.2Å; I273-Y289 HydrophobicContact CG1-CE2 4.4Å; I273-Y289 HydrophobicContact CG1-CG 4.39Å
274	T	98.8	Very high	96.7	Very high	18 Å²	18	50 Å²	50	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-28	-176.9	63.2	0	0	0	0	113.4	G288 D290 R314 V315	T274-G288 PolarHBondContact N-O 2.55Å; T274-G288 PolarHBondContact OG1-O 3.41Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.42Å; T274-R314 VanDerWaalsContact CG2-NH2 3.32Å; T274-V315 VanDerWaalsContact CB-O 3.3Å; T274-V315 WeakPolarHBondContact CB-O 3.33Å; T274-V315 VanDerWaalsContact CG2-O 3.26Å; T274-V315 WeakPolarHBondContact CG2-O 3.25Å; T274-V315 PolarHBondContact OG1-O 3.31Å
275	S	98.6	Very high	96.7	Very high	11 Å²	11	50 Å²	50	8%	0.077	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	144.6	-169.4	51.9	0	0	0	0	110.8	A287 G288 L318	S275-A287 CarbonylContact O-C 3.58Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.39Å; S275-G288 PolarHBondContact O-N 3.16Å; S275-L318 WeakPolarHBondContact OG-CD2 3.41Å; S275-L318 PolarHBondContact OG-N 2.88Å
276	V	98.9	Very high	96.9	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.5	178.9	-61.2	0	0	0	0	110.4	A231 C233 I273 L285 L286 A287	A231-V276 HydrophobicContact CB-CG1 4.39Å; A231-V276 HydrophobicContact CB-CG2 3.93Å; C233-V276 HydrophobicContact CB-CG2 3.87Å; I273-V276 HydrophobicContact CG2-CG1 3.79Å; V276-L285 HydrophobicContact CB-CD1 4.27Å; V276-L286 CarbonylContact C-O 3.46Å; V276-L286 VanDerWaalsContact CA-O 3.29Å; V276-L286 WeakPolarHBondContact CA-O 3.38Å; V276-A287 HydrophobicContact CG1-CB 4.14Å
277	A	98.8	Very high	97.1	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	146.8	171	0	0	0	0	0	111.9	L286 L318 V320	A277-L286 PolarHBondContact N-O 3.3Å; A277-L286 PolarHBondContact O-N 3.49Å; A277-L318 HydrophobicContact CB-CD1 3.29Å; A277-V320 HydrophobicContact CB-CG2 4.1Å
278	F	98.8	Very high	97.6	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.057	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	146.3	171.1	-76.6	-74.2	0	0	0	112.1	F235 P236 A242 L252 L284 L285 A299 V320	F235-F278 HydrophobicContact CB-CD2 4.37Å; F235-F278 HydrophobicContact CB-CE2 4.12Å; F235-F278 AromaticContact CD2-CD1 3.91Å; F235-F278 HydrophobicContact CD2-CD1 3.91Å; F235-F278 HydrophobicContact CD2-CD2 4.14Å; F235-F278 AromaticContact CD2-CE1 3.68Å; F235-F278 HydrophobicContact CD2-CE1 3.68Å; F235-F278 AromaticContact CD2-CE2 3.9Å; F235-F278 HydrophobicContact CD2-CE2 3.9Å; F235-F278 HydrophobicContact CD2-CG 4.13Å; F235-F278 AromaticContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CE2-CD1 4.17Å; F235-F278 HydrophobicContact CE2-CE1 4.04Å; F235-F278 HydrophobicContact CE2-CZ 4.45Å; P236-F278 HydrophobicContact CG-CB 4.3Å; A242-F278 HydrophobicContact CB-CD2 4.46Å; A242-F278 HydrophobicContact CB-CE2 3.42Å; A242-F278 VanDerWaalsContact CB-CE2 3.42Å; A242-F278 HydrophobicContact CB-CZ 3.52Å; L252-F278 HydrophobicContact CD1-CZ 4Å; F278-L284 WeakPolarHBondContact CA-O 3.31Å; F278-L285 HydrophobicContact CD1-CB 4.29Å; F278-L285 HydrophobicContact CD1-CD1 4.32Å; F278-L285 HydrophobicContact CE1-CB 3.98Å; F278-L285 HydrophobicContact CE1-CD1 4.06Å; F278-L285 HydrophobicContact CE2-CD1 4.39Å; F278-L285 HydrophobicContact CZ-CD1 4.09Å; F278-A299 HydrophobicContact CE1-CB 4.18Å; F278-V320 WeakPolarHBondContact O-CG2 3.37Å
279	S	98.6	Very high	98	Very high	17 Å²	17	30.2 Å²	30.2	12%	0.119	16%	0.157	C	C	.	.			trans	-61.4	159.7	156.4	57.9	0	0	0	0	111.3	S281 G282 R283 L284	S279-S281 PolarHBondContact O-N 2.88Å; S279-S281 VanDerWaalsContact O-N 3.11Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 2.9Å; S279-R283 PolarHBondContact OG-N 3.17Å; S279-L284 PolarHBondContact N-O 2.84Å; S279-L284 WeakPolarHBondContact OG-CB 3.33Å; S279-L284 PolarHBondContact OG-N 3.38Å; S279-L284 PolarHBondContact OG-O 3.3Å; S279-L284 VanDerWaalsContact OG-O 3.12Å
280	R	98	Very high	98.3	Very high	167 Å²	167	31.8 Å²	31.8	63%	0.63	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-35.1	-178.8	-178.9	172.8	176.6	87	0.2	114.4	G282 D322 D323	R280-G282 VanDerWaalsContact C-N 3.34Å; R280-D322 WeakPolarHBondContact CD-O 3.38Å; R280-D322 PolarHBondContact NH1-O 3.18Å; R280-D323 VanDerWaalsContact CD-O 3.26Å; R280-D323 WeakPolarHBondContact CD-O 3.37Å
281	S	98	Very high	98.4	Very high	88 Å²	88	27.4 Å²	27.4	62%	0.615	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.4	177.1	64.3	0	0	0	0	113.7	S279 R283	S279-S281 PolarHBondContact O-N 2.88Å; S279-S281 VanDerWaalsContact O-N 3.11Å; S281-R283 PolarHBondContact O-N 2.82Å; S281-R283 WeakPolarHBondContact OG-CB 3.48Å; S281-R283 PolarHBondContact OG-N 3.43Å
282	G	97.9	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	75.9	-1.4	-170	0	0	0	0	0	114.5	F235 S279 R280 L284 A299	F235-G282 VanDerWaalsContact CE2-CA 3.45Å; F235-G282 WeakPolarHBondContact CE2-O 3.33Å; S279-G282 WeakPolarHBondContact O-CA 3.31Å; S279-G282 PolarHBondContact O-N 2.9Å; R280-G282 VanDerWaalsContact C-N 3.34Å; G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 2.72Å; G282-A299 VanDerWaalsContact O-CB 3.26Å; G282-A299 WeakPolarHBondContact O-CB 3.16Å
283	R	98.1	Very high	98.5	Very high	61 Å²	61	32 Å²	32	23%	0.23	16%	0.161	C	C	.	.	S	Bend	trans	-68.4	-32.2	-178.9	-176.7	58.7	-175.4	-86.8	0	112.7	D38 V40 S279 S281 D298 A299	D38-R283 PolarHBondContact O-NH2 2.9Å; V40-R283 HydrophobicContact CG1-CG 3.56Å; S279-R283 PolarHBondContact OG-N 3.17Å; S281-R283 PolarHBondContact O-N 2.82Å; S281-R283 WeakPolarHBondContact OG-CB 3.48Å; S281-R283 PolarHBondContact OG-N 3.43Å; R283-D298 IonicContact CZ-OD1 2.76Å; R283-D298 IonicContact CZ-OD2 2.82Å; R283-D298 IonicContact NE-OD1 2.82Å; R283-D298 PolarHBondContact NE-OD1 2.98Å; R283-D298 IonicContact NE-OD2 3.55Å; R283-D298 PolarHBondContact NE-OD2 3.39Å; R283-D298 IonicContact NH2-OD1 3.22Å; R283-D298 IonicContact NH2-OD2 3.95Å; R283-D298 PolarHBondContact NH2-OD2 2.91Å; R283-A299 WeakPolarHBondContact O-CB 3.23Å; R283-A299 PolarHBondContact O-N 2.76Å
284	L	98.7	Very high	98.5	Very high	31 Å²	31	32 Å²	32	16%	0.162	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.8	177	-47.2	177.4	0	0	0	110.4	V40 I43 F278 S279 G282 L286 I296 W297	V40-L284 HydrophobicContact CG1-CD2 4.22Å; V40-L284 HydrophobicContact CG2-CD2 4.33Å; I43-L284 HydrophobicContact CD1-CD1 3.51Å; I43-L284 HydrophobicContact CD1-CD2 3.32Å; I43-L284 HydrophobicContact CD1-CG 4.05Å; F278-L284 WeakPolarHBondContact CA-O 3.31Å; S279-L284 PolarHBondContact N-O 2.84Å; S279-L284 WeakPolarHBondContact OG-CB 3.33Å; S279-L284 PolarHBondContact OG-N 3.38Å; S279-L284 PolarHBondContact OG-O 3.3Å; S279-L284 VanDerWaalsContact OG-O 3.12Å; G282-L284 VanDerWaalsContact C-N 3.32Å; G282-L284 PolarHBondContact O-N 2.72Å; L284-L286 HydrophobicContact CB-CD1 4.24Å; L284-I296 HydrophobicContact CB-CG2 4.06Å; L284-I296 HydrophobicContact CD1-CG2 4.18Å; L284-I296 HydrophobicContact CD2-CG2 4.18Å; L284-I296 HydrophobicContact CG-CG2 4.36Å; L284-W297 WeakPolarHBondContact CA-O 3.26Å
285	L	98.8	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	117.6	165.3	172.8	63.8	0	0	0	108.1	A242 C250 Y264 V276 F278 W297	A242-L285 HydrophobicContact CB-CD1 3.69Å; A242-L285 HydrophobicContact CB-CD2 4.16Å; C250-L285 HydrophobicContact CB-CD2 4.01Å; Y264-L285 HydrophobicContact CD2-CD2 3.67Å; Y264-L285 HydrophobicContact CE2-CD2 3.66Å; Y264-L285 HydrophobicContact CG-CD2 4.2Å; V276-L285 HydrophobicContact CB-CD1 4.27Å; F278-L285 HydrophobicContact CD1-CB 4.29Å; F278-L285 HydrophobicContact CD1-CD1 4.32Å; F278-L285 HydrophobicContact CE1-CB 3.98Å; F278-L285 HydrophobicContact CE1-CD1 4.06Å; F278-L285 HydrophobicContact CE2-CD1 4.39Å; F278-L285 HydrophobicContact CZ-CD1 4.09Å; L285-W297 HydrophobicContact CB-CB 4.25Å; L285-W297 PolarHBondContact N-O 2.77Å; L285-W297 PolarHBondContact O-N 3.4Å
286	L	98.9	Very high	98.5	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132	176.5	-62.1	91.8	0	0	0	108.5	V276 A277 L284 N295 I296 L308 L318 V320 V327	V276-L286 CarbonylContact C-O 3.46Å; V276-L286 VanDerWaalsContact CA-O 3.29Å; V276-L286 WeakPolarHBondContact CA-O 3.38Å; A277-L286 PolarHBondContact N-O 3.3Å; A277-L286 PolarHBondContact O-N 3.49Å; L284-L286 HydrophobicContact CB-CD1 4.24Å; L286-N295 WeakPolarHBondContact CA-O 3.45Å; L286-I296 HydrophobicContact CD2-CG1 4.19Å; L286-I296 HydrophobicContact CG-CG1 4.3Å; L286-L308 HydrophobicContact CD2-CD1 4.35Å; L286-L318 HydrophobicContact CB-CD1 4.28Å; L286-V320 HydrophobicContact CD1-CG2 3.97Å; L286-V327 HydrophobicContact CD2-CB 4.14Å; L286-V327 HydrophobicContact CD2-CG1 4.07Å; L286-V327 HydrophobicContact CD2-CG2 3.89Å
287	A	98.9	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.7	-179.2	0	0	0	0	0	110.7	C250 I273 S275 V276 Y289 C294 N295	C250-A287 VanDerWaalsContact SG-CB 3.57Å; I273-A287 HydrophobicContact CG2-CB 4.26Å; S275-A287 CarbonylContact O-C 3.58Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.39Å; V276-A287 HydrophobicContact CG1-CB 4.14Å; A287-Y289 HydrophobicContact CB-CD2 4.42Å; A287-Y289 HydrophobicContact CB-CE2 3.56Å; A287-Y289 WeakPolarHBondContact O-CD2 3.43Å; A287-Y289 WeakPolarHBondContact O-CE2 3.44Å; A287-C294 CarbonylContact O-C 3.59Å; A287-C294 WeakPolarHBondContact O-CA 3.14Å; A287-C294 PolarHBondContact O-SG 3.3Å; A287-N295 PolarHBondContact N-O 3.3Å; A287-N295 PolarHBondContact O-N 3.25Å
288	G	98.8	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.6	176.6	0	0	0	0	0	110.7	I273 T274 S275	I273-G288 WeakPolarHBondContact CA-O 3.44Å; T274-G288 PolarHBondContact N-O 2.55Å; T274-G288 PolarHBondContact OG1-O 3.41Å; S275-G288 PolarHBondContact O-N 3.16Å
289	Y	98.8	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161.5	-171.2	-70.7	-99.2	0	0	0	112.1	I269 I273 A287 D291 F292 N293 N295 W297 V315	I269-Y289 HydrophobicContact CG2-CD1 3.73Å; I269-Y289 HydrophobicContact CG2-CE1 3.53Å; I273-Y289 HydrophobicContact CD1-CE1 3.86Å; I273-Y289 HydrophobicContact CG1-CD1 3.63Å; I273-Y289 HydrophobicContact CG1-CE1 3.2Å; I273-Y289 HydrophobicContact CG1-CE2 4.4Å; I273-Y289 HydrophobicContact CG1-CG 4.39Å; A287-Y289 HydrophobicContact CB-CD2 4.42Å; A287-Y289 HydrophobicContact CB-CE2 3.56Å; A287-Y289 WeakPolarHBondContact O-CD2 3.43Å; A287-Y289 WeakPolarHBondContact O-CE2 3.44Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.44Å; Y289-D291 PolarHBondContact O-N 3.11Å; Y289-F292 PolarHBondContact O-N 2.63Å; Y289-N293 PolarHBondContact N-O 2.88Å; Y289-N295 HydrophobicContact CD2-CB 4.38Å; Y289-N295 VanDerWaalsContact CD2-ND2 3.31Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.42Å; Y289-N295 HydrophobicContact CE2-CB 3.73Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.03Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.23Å; Y289-W297 PolarHBondContact OH-NE1 2.92Å; Y289-W297 VanDerWaalsContact OH-NE1 3.09Å; Y289-V315 PolarHBondContact O-N 2.82Å
290	D	98.3	Very high	98.2	Very high	49 Å²	49	31.1 Å²	31.1	26%	0.262	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.1	176	-79	-8.9	0	0	0	114.4	C271 G272 T274 F292 R314	C271-D290 HydrophobicContact CB-CB 4.07Å; G272-D290 PolarHBondContact O-N 3.5Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.42Å; D290-F292 WeakPolarHBondContact O-CD1 3.28Å; D290-F292 VanDerWaalsContact O-CE1 3.31Å; D290-F292 WeakPolarHBondContact O-CE1 3.25Å; D290-F292 PolarHBondContact O-N 2.88Å; D290-R314 VanDerWaalsContact CG-NH2 3.33Å; D290-R314 IonicContact OD1-CZ 3.58Å; D290-R314 IonicContact OD1-NE 2.8Å; D290-R314 PolarHBondContact OD1-NE 3.24Å; D290-R314 IonicContact OD1-NH2 3.75Å; D290-R314 PolarHBondContact OD1-NH2 3.39Å; D290-R314 IonicContact OD2-CZ 3.48Å; D290-R314 IonicContact OD2-NH2 3.18Å; D290-R314 PolarHBondContact OD2-NH2 2.78Å
291	D	97.8	Very high	98.1	Very high	61 Å²	61	25.2 Å²	25.2	33%	0.326	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	13.1	172.4	77.1	-16.5	0	0	0	114.1	C271 Y289 N293	C271-D291 VanDerWaalsContact SG-CB 3.6Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.44Å; Y289-D291 PolarHBondContact O-N 3.11Å; D291-N293 PolarHBondContact O-N 2.85Å; D291-N293 PolarHBondContact O-ND2 3.07Å; D291-N293 WeakPolarHBondContact OD1-CB 3.45Å; D291-N293 PolarHBondContact OD1-N 2.76Å; D291-N293 VanDerWaalsContact OD1-N 3.08Å; D291-N293 PolarHBondContact OD2-ND2 2.91Å
292	F	98.2	Very high	97.9	Very high	89 Å²	89	21.9 Å²	21.9	39%	0.39	11%	0.109	S	C	.	.	S	Bend	trans	77.5	-1.6	175.8	-38.3	-22.7	0	0	0	114.1	Y289 D290 N313 R314 V315	Y289-F292 PolarHBondContact O-N 2.63Å; D290-F292 WeakPolarHBondContact O-CD1 3.28Å; D290-F292 VanDerWaalsContact O-CE1 3.31Å; D290-F292 WeakPolarHBondContact O-CE1 3.25Å; D290-F292 PolarHBondContact O-N 2.88Å; F292-N313 WeakPolarHBondContact CB-O 3.44Å; F292-N313 VanDerWaalsContact CG-C 3.49Å; F292-R314 HydrophobicContact CD1-CB 4.36Å; F292-V315 WeakPolarHBondContact O-CG2 3.29Å
293	N	97.9	Very high	97.7	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.23	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	162.3	-180	-59.8	-54.3	0	0	0	111.8	Y289 D291 V307 A309	Y289-N293 PolarHBondContact N-O 2.88Å; D291-N293 PolarHBondContact O-N 2.85Å; D291-N293 PolarHBondContact O-ND2 3.07Å; D291-N293 WeakPolarHBondContact OD1-CB 3.45Å; D291-N293 PolarHBondContact OD1-N 2.76Å; D291-N293 VanDerWaalsContact OD1-N 3.08Å; D291-N293 PolarHBondContact OD2-ND2 2.91Å; N293-V307 HydrophobicContact CB-CG1 4.13Å; N293-A309 WeakPolarHBondContact OD1-CB 3.21Å
294	C	98.6	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.3	162.7	166.1	0	0	0	0	109.1	A287 V307 L308 T329	A287-C294 CarbonylContact O-C 3.59Å; A287-C294 WeakPolarHBondContact O-CA 3.14Å; A287-C294 PolarHBondContact O-SG 3.3Å; C294-V307 CarbonylContact O-C 3.57Å; C294-V307 WeakPolarHBondContact O-CA 3.16Å; C294-L308 HydrophobicContact CB-CB 4.07Å; C294-L308 HydrophobicContact CB-CD1 4.45Å; C294-L308 PolarHBondContact N-O 3.32Å; C294-L308 VanDerWaalsContact N-O 3.1Å; C294-L308 PolarHBondContact O-N 2.88Å; C294-T329 HydrophobicContact CB-CG2 4.5Å
295	N	98.6	Very high	97.6	Very high	2 Å²	2	28 Å²	28	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.7	177.2	-65.4	-65.5	0	0	0	109.9	L286 A287 Y289 W297 R304	L286-N295 WeakPolarHBondContact CA-O 3.45Å; A287-N295 PolarHBondContact N-O 3.3Å; A287-N295 PolarHBondContact O-N 3.25Å; Y289-N295 HydrophobicContact CD2-CB 4.38Å; Y289-N295 VanDerWaalsContact CD2-ND2 3.31Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.42Å; Y289-N295 HydrophobicContact CE2-CB 3.73Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.03Å; N295-W297 HydrophobicContact CB-CZ2 4.34Å; N295-R304 HydrophobicContact CB-CG 4.49Å; N295-R304 WeakPolarHBondContact OD1-CD 3.34Å; N295-R304 PolarHBondContact OD1-NH1 3.1Å; N295-R304 VanDerWaalsContact OD1-NH1 3.15Å
296	I	98.6	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.2	173.9	-53.9	172.3	0	0	0	107.3	I43 M45 L284 L286 R304 A305 G306 L308	I43-I296 HydrophobicContact CB-CD1 4.37Å; I43-I296 HydrophobicContact CD1-CG2 4.01Å; I43-I296 HydrophobicContact CG2-CD1 3.76Å; M45-I296 HydrophobicContact CG-CD1 4.37Å; M45-I296 HydrophobicContact SD-CD1 3.83Å; L284-I296 HydrophobicContact CB-CG2 4.06Å; L284-I296 HydrophobicContact CD1-CG2 4.18Å; L284-I296 HydrophobicContact CD2-CG2 4.18Å; L284-I296 HydrophobicContact CG-CG2 4.36Å; L286-I296 HydrophobicContact CD2-CG1 4.19Å; L286-I296 HydrophobicContact CG-CG1 4.3Å; I296-R304 CarbonylContact O-C 3.55Å; I296-A305 HydrophobicContact CG2-CB 4.49Å; I296-A305 PolarHBondContact O-N 2.94Å; I296-G306 PolarHBondContact N-O 3.42Å; I296-G306 PolarHBondContact O-N 2.72Å; I296-G306 VanDerWaalsContact O-N 3.16Å; I296-L308 HydrophobicContact CD1-CD1 4.49Å; I296-L308 HydrophobicContact CD1-CD2 3.89Å; I296-L308 HydrophobicContact CD1-CG 4.03Å; I296-L308 HydrophobicContact CG1-CG 4.3Å
297	W	98.6	Very high	97.5	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140	-179.7	-58.7	96.9	0	0	0	110.8	Y264 H266 I269 L284 L285 Y289 N295 A299 R304	Y264-W297 HydrophobicContact CD1-CB 3.92Å; Y264-W297 HydrophobicContact CD1-CD2 4.45Å; Y264-W297 HydrophobicContact CD1-CE3 4.37Å; Y264-W297 HydrophobicContact CD1-CG 4.29Å; Y264-W297 HydrophobicContact CE1-CB 4.47Å; Y264-W297 HydrophobicContact CG-CB 4.47Å; Y264-W297 HydrophobicContact CG-CG 4.45Å; H266-W297 HydrophobicContact CB-CH2 4.08Å; I269-W297 HydrophobicContact CD1-CH2 4.28Å; I269-W297 HydrophobicContact CD1-CZ2 4.03Å; L284-W297 WeakPolarHBondContact CA-O 3.26Å; L285-W297 HydrophobicContact CB-CB 4.25Å; L285-W297 PolarHBondContact N-O 2.77Å; L285-W297 PolarHBondContact O-N 3.4Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.23Å; Y289-W297 PolarHBondContact OH-NE1 2.92Å; Y289-W297 VanDerWaalsContact OH-NE1 3.09Å; N295-W297 HydrophobicContact CB-CZ2 4.34Å; W297-A299 PolarHBondContact O-N 2.81Å; W297-R304 HydrophobicContact CE3-CB 4.01Å; W297-R304 HydrophobicContact CH2-CB 4.44Å; W297-R304 HydrophobicContact CZ3-CB 3.94Å
298	D	98.2	Very high	97.5	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.8	164.5	-174	-26	0	0	0	108.2	V40 R283 M300 K301 G302 D303	V40-D298 HydrophobicContact CG2-CB 4.11Å; R283-D298 IonicContact CZ-OD1 2.76Å; R283-D298 IonicContact CZ-OD2 2.82Å; R283-D298 IonicContact NE-OD1 2.82Å; R283-D298 PolarHBondContact NE-OD1 2.98Å; R283-D298 IonicContact NE-OD2 3.55Å; R283-D298 PolarHBondContact NE-OD2 3.39Å; R283-D298 IonicContact NH2-OD1 3.22Å; R283-D298 IonicContact NH2-OD2 3.95Å; R283-D298 PolarHBondContact NH2-OD2 2.91Å; D298-M300 PolarHBondContact O-N 3.1Å; D298-M300 VanDerWaalsContact O-N 3.07Å; D298-M300 PolarHBondContact OD1-N 3.05Å; D298-K301 HydrophobicContact CB-CB 4.21Å; D298-K301 PolarHBondContact O-N 3.38Å; D298-K301 PolarHBondContact OD1-N 3.27Å; D298-G302 PolarHBondContact O-N 3.19Å; D298-D303 PolarHBondContact N-O 3.08Å
299	A	97.6	Very high	97.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.8	-175.2	0	0	0	0	0	113.4	L30 Y264 F278 G282 R283 W297	L30-A299 WeakPolarHBondContact CD2-O 3.41Å; Y264-A299 WeakPolarHBondContact OH-CA 3.46Å; Y264-A299 PolarHBondContact OH-O 3.11Å; F278-A299 HydrophobicContact CE1-CB 4.18Å; G282-A299 VanDerWaalsContact O-CB 3.26Å; G282-A299 WeakPolarHBondContact O-CB 3.16Å; R283-A299 WeakPolarHBondContact O-CB 3.23Å; R283-A299 PolarHBondContact O-N 2.76Å; W297-A299 PolarHBondContact O-N 2.81Å
300	M	95.9	Very high	97.4	Very high	50 Å²	50	35.8 Å²	35.8	25%	0.246	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-32.1	-179.6	-61.5	-60.8	168.1	0	0	111.9	T34 L37 D298	T34-M300 WeakPolarHBondContact CB-O 3.29Å; T34-M300 HydrophobicContact CG2-CB 3.89Å; T34-M300 HydrophobicContact CG2-CG 4.49Å; T34-M300 HydrophobicContact CG2-SD 4.17Å; T34-M300 PolarHBondContact OG1-O 3.12Å; L37-M300 HydrophobicContact CD1-CB 4.06Å; L37-M300 HydrophobicContact CD1-CG 4.22Å; D298-M300 PolarHBondContact O-N 3.1Å; D298-M300 VanDerWaalsContact O-N 3.07Å; D298-M300 PolarHBondContact OD1-N 3.05Å
301	K	94.4	Very high	97.4	Very high	44 Å²	44	34 Å²	34	19%	0.191	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-21.9	-174.3	-66.2	-154.1	171.7	-150.4	0	114.6	L37 P39 D298 D303	L37-K301 WeakPolarHBondContact O-CE 3.41Å; L37-K301 PolarHBondContact O-NZ 3.09Å; P39-K301 HydrophobicContact CB-CD 4.47Å; D298-K301 HydrophobicContact CB-CB 4.21Å; D298-K301 PolarHBondContact O-N 3.38Å; D298-K301 PolarHBondContact OD1-N 3.27Å; K301-D303 HydrophobicContact CB-CB 4.43Å; K301-D303 PolarHBondContact O-N 3.15Å
302	G	93.4	Very high	97.4	Very high	17 Å²	17	37.4 Å²	37.4	18%	0.175	21%	0.21	C	C	.	.			trans	80.9	-6.2	-171.9	0	0	0	0	0	113.9	D298	D298-G302 PolarHBondContact O-N 3.19Å
303	D	94.8	Very high	97.5	Very high	100 Å²	100	35.7 Å²	35.7	54%	0.535	21%	0.205	S	C	.	.			trans	-79.8	146.5	-177.7	-65.5	-40.5	0	0	0	112.4	D298 K301 A305	D298-D303 PolarHBondContact N-O 3.08Å; K301-D303 HydrophobicContact CB-CB 4.43Å; K301-D303 PolarHBondContact O-N 3.15Å; D303-A305 PolarHBondContact O-N 3.38Å
304	R	96.8	Very high	97.5	Very high	109 Å²	109	36.4 Å²	36.4	41%	0.411	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	110.1	170.2	-175.2	170.9	61.1	176.8	-5.2	110.7	N295 I296 W297	N295-R304 HydrophobicContact CB-CG 4.49Å; N295-R304 WeakPolarHBondContact OD1-CD 3.34Å; N295-R304 PolarHBondContact OD1-NH1 3.1Å; N295-R304 VanDerWaalsContact OD1-NH1 3.15Å; I296-R304 CarbonylContact O-C 3.55Å; W297-R304 HydrophobicContact CE3-CB 4.01Å; W297-R304 HydrophobicContact CH2-CB 4.44Å; W297-R304 HydrophobicContact CZ3-CB 3.94Å
305	A	97.5	Very high	97.5	Very high	12 Å²	12	36.3 Å²	36.3	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-27.7	179.5	0	0	0	0	0	113.7	V40 R42 I43 I296 D303	V40-A305 HydrophobicContact CG2-CB 3.5Å; V40-A305 VanDerWaalsContact CG2-CB 3.5Å; R42-A305 WeakPolarHBondContact CA-O 3.46Å; I43-A305 HydrophobicContact CD1-CB 3.96Å; I43-A305 HydrophobicContact CG1-CB 4.17Å; I43-A305 PolarHBondContact N-O 2.83Å; I296-A305 HydrophobicContact CG2-CB 4.49Å; I296-A305 PolarHBondContact O-N 2.94Å; D303-A305 PolarHBondContact O-N 3.38Å
306	G	97.8	Very high	97.5	Very high	8 Å²	8	37 Å²	37	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	172.5	-176.7	0	0	0	0	0	113.9	I296	I296-G306 PolarHBondContact N-O 3.42Å; I296-G306 PolarHBondContact O-N 2.72Å; I296-G306 VanDerWaalsContact O-N 3.16Å
307	V	98.2	Very high	97.5	Very high	63 Å²	63	37.4 Å²	37.4	38%	0.382	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	130.7	177.3	-176.4	0	0	0	0	109	N293 C294 A309	N293-V307 HydrophobicContact CB-CG1 4.13Å; C294-V307 CarbonylContact O-C 3.57Å; C294-V307 WeakPolarHBondContact O-CA 3.16Å; V307-A309 HydrophobicContact CG1-CB 4.3Å
308	L	98.4	Very high	97.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	92.1	169.4	-53	-176.4	0	0	0	108.1	M45 L286 C294 I296 V327 W339	M45-L308 HydrophobicContact CB-CD2 3.68Å; M45-L308 HydrophobicContact CG-CD2 4.16Å; M45-L308 HydrophobicContact SD-CD1 4.35Å; M45-L308 HydrophobicContact SD-CD2 3.98Å; L286-L308 HydrophobicContact CD2-CD1 4.35Å; C294-L308 HydrophobicContact CB-CB 4.07Å; C294-L308 HydrophobicContact CB-CD1 4.45Å; C294-L308 PolarHBondContact N-O 3.32Å; C294-L308 VanDerWaalsContact N-O 3.1Å; C294-L308 PolarHBondContact O-N 2.88Å; I296-L308 HydrophobicContact CD1-CD1 4.49Å; I296-L308 HydrophobicContact CD1-CD2 3.89Å; I296-L308 HydrophobicContact CD1-CG 4.03Å; I296-L308 HydrophobicContact CG1-CG 4.3Å; L308-V327 HydrophobicContact CD1-CG1 4.07Å; L308-W339 HydrophobicContact CB-CD2 4.36Å; L308-W339 HydrophobicContact CB-CE3 4.33Å; L308-W339 HydrophobicContact CB-CH2 4.18Å; L308-W339 HydrophobicContact CB-CZ2 4.22Å; L308-W339 HydrophobicContact CB-CZ3 4.23Å; L308-W339 HydrophobicContact CD1-CD2 4.16Å; L308-W339 HydrophobicContact CD1-CG 4.08Å; L308-W339 HydrophobicContact CD2-CD2 4.2Å; L308-W339 HydrophobicContact CD2-CE3 3.92Å; L308-W339 HydrophobicContact CD2-CZ3 4.4Å; L308-W339 HydrophobicContact CG-CD2 4.48Å
309	A	97.9	Very high	97.5	Very high	66 Å²	66	38.5 Å²	38.5	55%	0.545	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.2	175.7	0	0	0	0	0	109	N293 V307	N293-A309 WeakPolarHBondContact OD1-CB 3.21Å; V307-A309 HydrophobicContact CG1-CB 4.3Å
310	G	97.7	Very high	97.6	Very high	27 Å²	27	39.6 Å²	39.6	28%	0.278	23%	0.227	S	C	.	.			trans	-177.1	6.1	176.7	0	0	0	0	0	115.6	K337	G310-K337 WeakPolarHBondContact O-CE 3.41Å; G310-K337 PolarHBondContact O-NZ 2.89Å
311	H	98.6	Very high	97.7	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.056	22%	0.216	C	C	.	.			trans	-101.3	151.4	171	-75.2	-72.1	0	0	0	110.2	T329 S331 D333 F335	H311-T329 PolarHBondContact NE2-OG1 3.29Å; H311-S331 VanDerWaalsContact CG-CB 3.49Å; H311-S331 WeakPolarHBondContact ND1-CB 3.23Å; H311-D333 VanDerWaalsContact CA-OD2 3.31Å; H311-D333 WeakPolarHBondContact CA-OD2 3.38Å; H311-D333 WeakPolarHBondContact CB-OD2 3.31Å; H311-D333 IonicContact CE1-OD1 2.7Å; H311-D333 IonicContact CE1-OD2 3.53Å; H311-D333 IonicContact CG-OD2 3.66Å; H311-D333 IonicContact ND1-OD1 3.58Å; H311-D333 PolarHBondContact ND1-OD1 3.21Å; H311-D333 IonicContact ND1-OD2 3.34Å; H311-D333 PolarHBondContact ND1-OD2 2.8Å; H311-F335 PolarHBondContact CE1-O 2.68Å
312	D	98.3	Very high	97.9	Very high	132 Å²	132	39.4 Å²	39.4	71%	0.706	23%	0.229	S	C	*	.	S	Bend	trans	-99.7	7.8	-179.7	-60.7	-44	0	0	0	112.2	D333	D312-D333 HydrophobicContact CB-CB 4.36Å; D312-D333 PolarHBondContact N-OD2 3.38Å
313	N	98.6	Very high	98.1	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	23%	0.234	S	C	.	.	S	Bend	trans	-157.4	173.4	178.7	-150.2	-42.4	0	0	0	109.8	F292 V315 S331 W332 D333	F292-N313 WeakPolarHBondContact CB-O 3.44Å; F292-N313 VanDerWaalsContact CG-C 3.49Å; N313-V315 PolarHBondContact O-N 2.83Å; N313-S331 PolarHBondContact O-OG 3.34Å; N313-W332 HydrophobicContact CB-CB 3.91Å; N313-D333 HydrophobicContact CB-CB 4.06Å
314	R	98.4	Very high	98.2	Very high	57 Å²	57	38 Å²	38	22%	0.215	23%	0.225	C	C	.	.			trans	-50.9	134.9	-175.1	71.7	-174.9	-65	-157.4	12.4	111.9	T274 D290 F292 S316 S331 W332	T274-R314 VanDerWaalsContact CG2-NH2 3.32Å; D290-R314 VanDerWaalsContact CG-NH2 3.33Å; D290-R314 IonicContact OD1-CZ 3.58Å; D290-R314 IonicContact OD1-NE 2.8Å; D290-R314 PolarHBondContact OD1-NE 3.24Å; D290-R314 IonicContact OD1-NH2 3.75Å; D290-R314 PolarHBondContact OD1-NH2 3.39Å; D290-R314 IonicContact OD2-CZ 3.48Å; D290-R314 IonicContact OD2-NH2 3.18Å; D290-R314 PolarHBondContact OD2-NH2 2.78Å; F292-R314 HydrophobicContact CD1-CB 4.36Å; R314-S316 PolarHBondContact O-N 2.77Å; R314-S331 VanDerWaalsContact O-CA 3.29Å; R314-S331 WeakPolarHBondContact O-CA 3.46Å; R314-S331 WeakPolarHBondContact O-CB 3.47Å; R314-S331 PolarHBondContact O-OG 2.7Å; R314-W332 VanDerWaalsContact CD-CE2 3.46Å; R314-W332 HydrophobicContact CG-CB 4.03Å; R314-W332 HydrophobicContact CG-CD2 3.4Å; R314-W332 VanDerWaalsContact CG-CD2 3.4Å; R314-W332 HydrophobicContact CG-CE3 3.59Å; R314-W332 HydrophobicContact CG-CG 3.58Å; R314-W332 HydrophobicContact CG-CZ3 4.21Å; R314-W332 PolarHBondContact O-N 3.06Å; R314-W332 VanDerWaalsContact O-N 3.12Å
315	V	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	115.9	169.5	179.9	0	0	0	0	105.3	T274 Y289 F292 N313 T329	T274-V315 VanDerWaalsContact CB-O 3.3Å; T274-V315 WeakPolarHBondContact CB-O 3.33Å; T274-V315 VanDerWaalsContact CG2-O 3.26Å; T274-V315 WeakPolarHBondContact CG2-O 3.25Å; T274-V315 PolarHBondContact OG1-O 3.31Å; Y289-V315 PolarHBondContact O-N 2.82Å; F292-V315 WeakPolarHBondContact O-CG2 3.29Å; N313-V315 PolarHBondContact O-N 2.83Å; V315-T329 HydrophobicContact CG1-CG2 4.45Å
316	S	98.8	Very high	98.3	Very high	15 Å²	15	39.2 Å²	39.2	11%	0.105	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-26	-175	53.5	0	0	0	0	112.6	I58 R314 G330	I58-S316 VanDerWaalsContact O-CB 3.28Å; I58-S316 WeakPolarHBondContact O-CB 3.28Å; I58-S316 PolarHBondContact O-OG 3.21Å; R314-S316 PolarHBondContact O-N 2.77Å; S316-G330 PolarHBondContact N-O 2.95Å; S316-G330 PolarHBondContact OG-O 3.11Å
317	C	98.6	Very high	98.4	Very high	10 Å²	10	39 Å²	39	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153	-179.6	53.7	0	0	0	0	110.7	M61 G330	M61-C317 HydrophobicContact CG-CB 4.15Å; C317-G330 PolarHBondContact N-O 2.88Å; C317-G330 PolarHBondContact O-N 2.94Å
318	L	98.7	Very high	98.4	Very high	16 Å²	16	36 Å²	36	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158	171.8	70	87.2	0	0	0	110.3	S275 A277 L286 A328 T329	S275-L318 WeakPolarHBondContact OG-CD2 3.41Å; S275-L318 PolarHBondContact OG-N 2.88Å; A277-L318 HydrophobicContact CB-CD1 3.29Å; L286-L318 HydrophobicContact CB-CD1 4.28Å; L318-A328 CarbonylContact C-O 3.56Å; L318-A328 WeakPolarHBondContact CA-O 3.25Å; L318-T329 HydrophobicContact CB-CG2 4.13Å
319	G	98.6	Very high	98.4	Very high	12 Å²	12	35.8 Å²	35.8	12%	0.124	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	141.2	175.2	0	0	0	0	0	111.5	W63 V327 A328	W63-G319 PolarHBondContact NE1-O 3.29Å; G319-V327 CarbonylContact O-C 3.53Å; G319-V327 WeakPolarHBondContact O-CA 3.04Å; G319-A328 PolarHBondContact N-O 3.47Å; G319-A328 PolarHBondContact O-N 3.38Å
320	V	98.8	Very high	98.5	Very high	25 Å²	25	32.7 Å²	32.7	15%	0.152	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.4	171.6	-176.9	0	0	0	0	108.3	A277 F278 L286 A326 V327	A277-V320 HydrophobicContact CB-CG2 4.1Å; F278-V320 WeakPolarHBondContact O-CG2 3.37Å; L286-V320 HydrophobicContact CD1-CG2 3.97Å; V320-A326 WeakPolarHBondContact CA-O 3.37Å; V320-V327 HydrophobicContact CG2-CB 4.32Å; V320-V327 HydrophobicContact CG2-CG2 4.28Å
321	T	98.8	Very high	98.6	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	18%	0.177	C	C	.	.			trans	-65.9	151.2	174.6	54.4	0	0	0	0	111.3	W63 D323 G324 M325 A326	W63-T321 HydrophobicContact CD2-CG2 3.66Å; W63-T321 HydrophobicContact CE3-CG2 3.81Å; W63-T321 HydrophobicContact CG-CG2 4.23Å; W63-T321 HydrophobicContact CH2-CG2 3.89Å; W63-T321 HydrophobicContact CZ2-CG2 3.72Å; W63-T321 HydrophobicContact CZ3-CG2 3.93Å; T321-D323 VanDerWaalsContact CB-OD1 3.25Å; T321-D323 WeakPolarHBondContact CB-OD1 3.44Å; T321-D323 PolarHBondContact O-N 2.59Å; T321-D323 PolarHBondContact OG1-OD1 2.94Å; T321-G324 WeakPolarHBondContact O-CA 3.49Å; T321-G324 PolarHBondContact O-N 3.32Å; T321-G324 PolarHBondContact OG1-N 3.42Å; T321-M325 PolarHBondContact OG1-N 3.1Å; T321-A326 HydrophobicContact CG2-CB 4.16Å; T321-A326 PolarHBondContact N-O 3.12Å; T321-A326 PolarHBondContact OG1-N 2.91Å; T321-A326 VanDerWaalsContact OG1-N 3.11Å; T321-A326 PolarHBondContact OG1-O 2.82Å
322	D	97.5	Very high	98.6	Very high	85 Å²	85	33.3 Å²	33.3	46%	0.455	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.3	179.7	-73.1	-6.6	0	0	0	111.4	T65 S67 R280 G324	T65-D322 WeakPolarHBondContact CA-OD2 3.44Å; S67-D322 PolarHBondContact OG-N 3Å; R280-D322 WeakPolarHBondContact CD-O 3.38Å; R280-D322 PolarHBondContact NH1-O 3.18Å; D322-G324 PolarHBondContact O-N 3.38Å
323	D	98	Very high	98.6	Very high	53 Å²	53	27.9 Å²	27.9	28%	0.283	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.6	175.9	69.8	2.3	0	0	0	114.8	S67 R280 T321 M325	S67-D323 VanDerWaalsContact CB-CG 3.46Å; S67-D323 WeakPolarHBondContact CB-OD2 3.49Å; S67-D323 PolarHBondContact OG-N 3.28Å; R280-D323 VanDerWaalsContact CD-O 3.26Å; R280-D323 WeakPolarHBondContact CD-O 3.37Å; T321-D323 VanDerWaalsContact CB-OD1 3.25Å; T321-D323 WeakPolarHBondContact CB-OD1 3.44Å; T321-D323 PolarHBondContact O-N 2.59Å; T321-D323 PolarHBondContact OG1-OD1 2.94Å; D323-M325 VanDerWaalsContact C-N 3.28Å; D323-M325 HydrophobicContact CB-CG 4.22Å; D323-M325 PolarHBondContact O-N 3.26Å; D323-M325 VanDerWaalsContact OD1-CB 3.26Å; D323-M325 WeakPolarHBondContact OD1-CB 3.39Å; D323-M325 WeakPolarHBondContact OD1-CG 3.47Å; D323-M325 PolarHBondContact OD1-N 3.18Å; D323-M325 WeakPolarHBondContact OD2-CG 3.46Å
324	G	98.1	Very high	98.6	Very high	35 Å²	35	26.6 Å²	26.6	36%	0.361	15%	0.15	S	C	.	.	S	Bend	trans	73.8	9.2	-178.4	0	0	0	0	0	115.4	T321 D322	T321-G324 WeakPolarHBondContact O-CA 3.49Å; T321-G324 PolarHBondContact O-N 3.32Å; T321-G324 PolarHBondContact OG1-N 3.42Å; D322-G324 PolarHBondContact O-N 3.38Å
325	M	98.2	Very high	98.6	Very high	132 Å²	132	26.8 Å²	26.8	65%	0.65	15%	0.152	S	C	*	.	S	Bend	trans	-75.5	-24.2	-175.3	-69.1	-67.5	163.3	0	0	114.4	T321 D323 N340	T321-M325 PolarHBondContact OG1-N 3.1Å; D323-M325 VanDerWaalsContact C-N 3.28Å; D323-M325 HydrophobicContact CB-CG 4.22Å; D323-M325 PolarHBondContact O-N 3.26Å; D323-M325 VanDerWaalsContact OD1-CB 3.26Å; D323-M325 WeakPolarHBondContact OD1-CB 3.39Å; D323-M325 WeakPolarHBondContact OD1-CG 3.47Å; D323-M325 PolarHBondContact OD1-N 3.18Å; D323-M325 WeakPolarHBondContact OD2-CG 3.46Å; M325-N340 VanDerWaalsContact O-CB 3.29Å; M325-N340 WeakPolarHBondContact O-CB 3.11Å
326	A	98.6	Very high	98.6	Very high	15 Å²	15	26.8 Å²	26.8	12%	0.124	15%	0.152	C	C	.	.			trans	-149.2	158.2	-179	0	0	0	0	0	112.7	V320 T321 I338 W339	V320-A326 WeakPolarHBondContact CA-O 3.37Å; T321-A326 HydrophobicContact CG2-CB 4.16Å; T321-A326 PolarHBondContact N-O 3.12Å; T321-A326 PolarHBondContact OG1-N 2.91Å; T321-A326 VanDerWaalsContact OG1-N 3.11Å; T321-A326 PolarHBondContact OG1-O 2.82Å; A326-I338 HydrophobicContact CB-CG2 3.79Å; A326-W339 WeakPolarHBondContact CA-O 3.48Å
327	V	98.8	Very high	98.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.6	164.1	56.8	0	0	0	0	108.9	M45 L286 L308 G319 V320 I338 W339	M45-V327 HydrophobicContact CE-CG1 3.92Å; M45-V327 HydrophobicContact SD-CG1 3.9Å; L286-V327 HydrophobicContact CD2-CB 4.14Å; L286-V327 HydrophobicContact CD2-CG1 4.07Å; L286-V327 HydrophobicContact CD2-CG2 3.89Å; L308-V327 HydrophobicContact CD1-CG1 4.07Å; G319-V327 CarbonylContact O-C 3.53Å; G319-V327 WeakPolarHBondContact O-CA 3.04Å; V320-V327 HydrophobicContact CG2-CB 4.32Å; V320-V327 HydrophobicContact CG2-CG2 4.28Å; V327-I338 CarbonylContact O-C 3.54Å; V327-I338 WeakPolarHBondContact O-CA 3.37Å; V327-W339 HydrophobicContact CG1-CB 3.64Å; V327-W339 HydrophobicContact CG1-CG 4.07Å; V327-W339 PolarHBondContact N-O 2.98Å; V327-W339 PolarHBondContact O-N 3.2Å
328	A	98.9	Very high	98.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.1	166.5	0	0	0	0	0	110.2	M61 W63 L318 G319 K337 I338	M61-A328 HydrophobicContact CE-CB 3.49Å; M61-A328 VanDerWaalsContact CE-CB 3.49Å; M61-A328 HydrophobicContact SD-CB 4.28Å; W63-A328 HydrophobicContact CH2-CB 4.44Å; W63-A328 HydrophobicContact CZ2-CB 3.42Å; W63-A328 VanDerWaalsContact CZ2-CB 3.42Å; L318-A328 CarbonylContact C-O 3.56Å; L318-A328 WeakPolarHBondContact CA-O 3.25Å; G319-A328 PolarHBondContact N-O 3.47Å; G319-A328 PolarHBondContact O-N 3.38Å; A328-K337 CarbonylContact C-O 3.57Å; A328-K337 VanDerWaalsContact CA-O 3.26Å; A328-K337 WeakPolarHBondContact CA-O 3.42Å; A328-I338 HydrophobicContact CB-CG1 4.48Å
329	T	98.9	Very high	98.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.8	169.7	56.9	0	0	0	0	109	C294 H311 V315 L318 L336 K337 W339	C294-T329 HydrophobicContact CB-CG2 4.5Å; H311-T329 PolarHBondContact NE2-OG1 3.29Å; V315-T329 HydrophobicContact CG1-CG2 4.45Å; L318-T329 HydrophobicContact CB-CG2 4.13Å; T329-L336 CarbonylContact O-C 3.56Å; T329-L336 WeakPolarHBondContact O-CA 3.34Å; T329-K337 PolarHBondContact N-O 2.85Å; T329-K337 PolarHBondContact O-N 3.17Å; T329-W339 PolarHBondContact OG1-NE1 2.8Å
330	G	98.9	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.2	171.2	0	0	0	0	0	110.3	S316 C317	S316-G330 PolarHBondContact N-O 2.95Å; S316-G330 PolarHBondContact OG-O 3.11Å; C317-G330 PolarHBondContact N-O 2.88Å; C317-G330 PolarHBondContact O-N 2.94Å
331	S	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.1	-174.6	167.9	0	0	0	0	112.3	I58 H311 N313 R314 D333 S334 F335	I58-S331 WeakPolarHBondContact CB-O 3.28Å; I58-S331 PolarHBondContact N-O 2.87Å; H311-S331 VanDerWaalsContact CG-CB 3.49Å; H311-S331 WeakPolarHBondContact ND1-CB 3.23Å; N313-S331 PolarHBondContact O-OG 3.34Å; R314-S331 VanDerWaalsContact O-CA 3.29Å; R314-S331 WeakPolarHBondContact O-CA 3.46Å; R314-S331 WeakPolarHBondContact O-CB 3.47Å; R314-S331 PolarHBondContact O-OG 2.7Å; S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.2Å; S331-D333 PolarHBondContact O-N 3.38Å; S331-D333 PolarHBondContact OG-N 3.08Å; S331-D333 VanDerWaalsContact OG-N 3.14Å; S331-D333 PolarHBondContact OG-OD1 3.02Å; S331-S334 PolarHBondContact O-N 3.29Å; S331-F335 PolarHBondContact N-O 2.8Å
332	W	98.8	Very high	98.3	Very high	52 Å²	52	32.9 Å²	32.9	20%	0.197	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.4	169.5	-77.4	13.5	0	0	0	114.1	K57 I58 Y59 N313 R314 S334	K57-W332 HydrophobicContact CB-CB 4.19Å; K57-W332 HydrophobicContact CB-CD2 4.47Å; K57-W332 HydrophobicContact CB-CG 3.87Å; K57-W332 HydrophobicContact CD-CB 4.29Å; K57-W332 HydrophobicContact CD-CD2 3.67Å; K57-W332 HydrophobicContact CD-CE3 3.99Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.88Å; K57-W332 HydrophobicContact CG-CD2 4.2Å; K57-W332 HydrophobicContact CG-CG 3.83Å; I58-W332 VanDerWaalsContact O-CD1 3.31Å; Y59-W332 HydrophobicContact CE1-CZ2 4.44Å; Y59-W332 HydrophobicContact CE2-CZ2 4.3Å; Y59-W332 AromaticContact CE2-NE1 3.59Å; Y59-W332 AromaticContact CZ-CZ2 3.81Å; Y59-W332 AromaticContact CZ-NE1 3.87Å; Y59-W332 WeakPolarHBondContact OH-CZ2 3.32Å; N313-W332 HydrophobicContact CB-CB 3.91Å; R314-W332 VanDerWaalsContact CD-CE2 3.46Å; R314-W332 HydrophobicContact CG-CB 4.03Å; R314-W332 HydrophobicContact CG-CD2 3.4Å; R314-W332 VanDerWaalsContact CG-CD2 3.4Å; R314-W332 HydrophobicContact CG-CE3 3.59Å; R314-W332 HydrophobicContact CG-CG 3.58Å; R314-W332 HydrophobicContact CG-CZ3 4.21Å; R314-W332 PolarHBondContact O-N 3.06Å; R314-W332 VanDerWaalsContact O-N 3.12Å; W332-S334 PolarHBondContact O-N 3.23Å
333	D	98.6	Very high	98.4	Very high	19 Å²	19	30 Å²	30	10%	0.102	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.5	170	71.9	7.2	0	0	0	114.1	H311 D312 N313 S331 F335	H311-D333 VanDerWaalsContact CA-OD2 3.31Å; H311-D333 WeakPolarHBondContact CA-OD2 3.38Å; H311-D333 WeakPolarHBondContact CB-OD2 3.31Å; H311-D333 IonicContact CE1-OD1 2.7Å; H311-D333 IonicContact CE1-OD2 3.53Å; H311-D333 IonicContact CG-OD2 3.66Å; H311-D333 IonicContact ND1-OD1 3.58Å; H311-D333 PolarHBondContact ND1-OD1 3.21Å; H311-D333 IonicContact ND1-OD2 3.34Å; H311-D333 PolarHBondContact ND1-OD2 2.8Å; D312-D333 HydrophobicContact CB-CB 4.36Å; D312-D333 PolarHBondContact N-OD2 3.38Å; N313-D333 HydrophobicContact CB-CB 4.06Å; S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.2Å; S331-D333 PolarHBondContact O-N 3.38Å; S331-D333 PolarHBondContact OG-N 3.08Å; S331-D333 VanDerWaalsContact OG-N 3.14Å; S331-D333 PolarHBondContact OG-OD1 3.02Å; D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 HydrophobicContact CB-CD2 4.22Å; D333-F335 VanDerWaalsContact O-CD2 3.23Å; D333-F335 WeakPolarHBondContact O-CD2 3.31Å; D333-F335 WeakPolarHBondContact O-CE2 3.42Å; D333-F335 PolarHBondContact O-N 2.68Å; D333-F335 WeakPolarHBondContact OD1-CB 2.9Å; D333-F335 PolarHBondContact OD1-N 3.17Å
334	S	98.6	Very high	98.4	Very high	26 Å²	26	28.6 Å²	28.6	18%	0.182	15%	0.154	C	C	.	.	S	Bend	trans	71.8	8	-179	75.8	0	0	0	0	116.2	A56 I58 S331 W332	A56-S334 WeakPolarHBondContact O-CA 3.14Å; A56-S334 WeakPolarHBondContact O-CB 3.37Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; I58-S334 WeakPolarHBondContact CD1-O 3.49Å; S331-S334 PolarHBondContact O-N 3.29Å; W332-S334 PolarHBondContact O-N 3.23Å
335	F	98.6	Very high	98.4	Very high	60 Å²	60	28.3 Å²	28.3	26%	0.263	14%	0.141	S	C	.	.			trans	-107	148.1	177.9	-59.1	-66	0	0	0	112.7	T50 R52 I58 H311 S331 D333	T50-F335 HydrophobicContact CG2-CB 4.36Å; T50-F335 HydrophobicContact CG2-CD1 4.17Å; T50-F335 HydrophobicContact CG2-CG 4.41Å; R52-F335 HydrophobicContact CB-CE1 4.38Å; R52-F335 HydrophobicContact CG-CD1 3.85Å; R52-F335 HydrophobicContact CG-CE1 3.76Å; I58-F335 WeakPolarHBondContact CD1-O 3.41Å; H311-F335 PolarHBondContact CE1-O 2.68Å; S331-F335 PolarHBondContact N-O 2.8Å; D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 HydrophobicContact CB-CD2 4.22Å; D333-F335 VanDerWaalsContact O-CD2 3.23Å; D333-F335 WeakPolarHBondContact O-CD2 3.31Å; D333-F335 WeakPolarHBondContact O-CE2 3.42Å; D333-F335 PolarHBondContact O-N 2.68Å; D333-F335 WeakPolarHBondContact OD1-CB 2.9Å; D333-F335 PolarHBondContact OD1-N 3.17Å
336	L	98.9	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.6	157.4	-58.1	92.6	0	0	0	109.9	T50 L51 I58 M61 L70 W82 T329	T50-L336 CarbonylContact C-O 3.57Å; T50-L336 WeakPolarHBondContact CA-O 3.18Å; L51-L336 HydrophobicContact CB-CB 4.08Å; L51-L336 HydrophobicContact CB-CD1 4.44Å; L51-L336 HydrophobicContact CD1-CB 4.08Å; L51-L336 HydrophobicContact CG-CB 4.28Å; L51-L336 PolarHBondContact N-O 3.14Å; L51-L336 PolarHBondContact O-N 3.43Å; I58-L336 HydrophobicContact CD1-CD1 3.44Å; I58-L336 VanDerWaalsContact CD1-CD1 3.44Å; I58-L336 HydrophobicContact CD1-CG 3.87Å; I58-L336 HydrophobicContact CG1-CD1 4.45Å; M61-L336 HydrophobicContact CB-CD2 3.88Å; M61-L336 HydrophobicContact CG-CD2 4.28Å; L70-L336 HydrophobicContact CD1-CD2 3.77Å; W82-L336 HydrophobicContact CZ2-CD1 4.32Å; T329-L336 CarbonylContact O-C 3.56Å; T329-L336 WeakPolarHBondContact O-CA 3.34Å
337	K	98.9	Very high	98.4	Very high	32 Å²	32	21.8 Å²	21.8	14%	0.139	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.8	176.4	-69.2	175.3	-166.7	-116.5	0	109.6	T47 R49 T50 G310 A328 T329 W339	T47-K337 HydrophobicContact CG2-CB 4Å; T47-K337 HydrophobicContact CG2-CD 4.41Å; T47-K337 HydrophobicContact CG2-CG 4.08Å; R49-K337 WeakPolarHBondContact O-CA 3.23Å; T50-K337 HydrophobicContact CG2-CG 4.45Å; G310-K337 WeakPolarHBondContact O-CE 3.41Å; G310-K337 PolarHBondContact O-NZ 2.89Å; A328-K337 CarbonylContact C-O 3.57Å; A328-K337 VanDerWaalsContact CA-O 3.26Å; A328-K337 WeakPolarHBondContact CA-O 3.42Å; T329-K337 PolarHBondContact N-O 2.85Å; T329-K337 PolarHBondContact O-N 3.17Å; K337-W339 HydrophobicContact CB-CZ2 3.89Å; K337-W339 HydrophobicContact CD-CH2 4.38Å; K337-W339 HydrophobicContact CD-CZ2 3.88Å; K337-W339 PolarHBondContact O-NE1 3.34Å
338	I	98.8	Very high	98.4	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.046	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.6	175.5	-56.5	-179.9	0	0	0	108.1	T47 R48 R49 L51 W63 L70 A326 V327 A328	T47-I338 CarbonylContact C-O 3.49Å; T47-I338 WeakPolarHBondContact CA-O 3.25Å; R48-I338 PolarHBondContact N-O 3.3Å; R49-I338 HydrophobicContact CB-CB 4.07Å; R49-I338 HydrophobicContact CB-CD1 4.13Å; R49-I338 HydrophobicContact CB-CG1 4.28Å; R49-I338 PolarHBondContact N-O 3.22Å; R49-I338 PolarHBondContact O-N 3.43Å; L51-I338 HydrophobicContact CD1-CD1 4.29Å; L51-I338 HydrophobicContact CD2-CD1 4.47Å; W63-I338 HydrophobicContact CH2-CD1 3.99Å; W63-I338 HydrophobicContact CH2-CG1 4.45Å; L70-I338 HydrophobicContact CD2-CD1 4.39Å; A326-I338 HydrophobicContact CB-CG2 3.79Å; V327-I338 CarbonylContact O-C 3.54Å; V327-I338 WeakPolarHBondContact O-CA 3.37Å; A328-I338 HydrophobicContact CB-CG1 4.48Å
339	W	98.8	Very high	98.3	Very high	9 Å²	9	25.3 Å²	25.3	3%	0.034	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.6	-175.1	-39.5	74.1	0	0	0	110.6	M45 R46 T47 L308 A326 V327 T329 K337	M45-W339 HydrophobicContact CB-CB 4.08Å; M45-W339 HydrophobicContact SD-CB 4.47Å; R46-W339 WeakPolarHBondContact O-CA 3.42Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.33Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.42Å; L308-W339 HydrophobicContact CB-CD2 4.36Å; L308-W339 HydrophobicContact CB-CE3 4.33Å; L308-W339 HydrophobicContact CB-CH2 4.18Å; L308-W339 HydrophobicContact CB-CZ2 4.22Å; L308-W339 HydrophobicContact CB-CZ3 4.23Å; L308-W339 HydrophobicContact CD1-CD2 4.16Å; L308-W339 HydrophobicContact CD1-CG 4.08Å; L308-W339 HydrophobicContact CD2-CD2 4.2Å; L308-W339 HydrophobicContact CD2-CE3 3.92Å; L308-W339 HydrophobicContact CD2-CZ3 4.4Å; L308-W339 HydrophobicContact CG-CD2 4.48Å; A326-W339 WeakPolarHBondContact CA-O 3.48Å; V327-W339 HydrophobicContact CG1-CB 3.64Å; V327-W339 HydrophobicContact CG1-CG 4.07Å; V327-W339 PolarHBondContact N-O 2.98Å; V327-W339 PolarHBondContact O-N 3.2Å; T329-W339 PolarHBondContact OG1-NE1 2.8Å; K337-W339 HydrophobicContact CB-CZ2 3.89Å; K337-W339 HydrophobicContact CD-CH2 4.38Å; K337-W339 HydrophobicContact CD-CZ2 3.88Å; K337-W339 PolarHBondContact O-NE1 3.34Å
340	N	93.4	Very high	98.3	Very high	95 Å²	95	27.5 Å²	27.5	51%	0.508	13%	0.134	S	C	.	.			trans	-158.6	0	163.2	72.1	12.8	0	0	0	113	R46 R48 M325	R46-N340 PolarHBondContact N-O 3.31Å; R46-N340 PolarHBondContact O-N 2.82Å; R48-N340 WeakPolarHBondContact CD-OD1 3.24Å; R48-N340 WeakPolarHBondContact CG-OD1 3.28Å; R48-N340 PolarHBondContact NE-O 3.17Å; R48-N340 PolarHBondContact NE-OD1 3.33Å; R48-N340 PolarHBondContact NH2-O 3.17Å; M325-N340 VanDerWaalsContact O-CB 3.29Å; M325-N340 WeakPolarHBondContact O-CB 3.11Å

Retrieved 340 of 340 residues in 2597.7 ms (Link to these results)

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