A0A077YXJ8_TRITR Loading...

Guanine nucleotide-binding protein subunit beta-1

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. In the early embryo, controls the magnitude of the forces acting on centrosomes but is not required for generating asymmetric forces.

AlphaFold DB , UniProt , Accession A0A077YXJ8, Species TRITR (Trichuris trichiura, Whipworm), 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	68.5	Low	93.4	Very high	162 Å²	162	103.8 Å²	103.8	80%	0.798	53%	0.526	S	S	*	.				0	126.4	0	-121.4	-173.1	-72.7	0	0	107.1	E5 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 3.8Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.41Å; M1-Q9 VanDerWaalsContact SD-CD 3.55Å; M1-Q9 PolarHBondContact SD-NE2 3.48Å; M1-Q9 VanDerWaalsContact SD-NE2 3.45Å; M1-Q9 PolarHBondContact SD-OE1 3.34Å
2	S	89.9	Confident	93.7	Very high	54 Å²	54	103.3 Å²	103.3	38%	0.378	52%	0.521	S	S	.	.			trans	-66.7	155.8	170	63	0	0	0	0	109.9	L4 E5 A6	S2-L4 PolarHBondContact O-N 2.9Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 WeakPolarHBondContact O-CB 3.37Å; S2-E5 PolarHBondContact O-N 3.45Å; S2-E5 VanDerWaalsContact OG-CG 3.25Å; S2-E5 WeakPolarHBondContact OG-CG 3.48Å; S2-E5 PolarHBondContact OG-N 2.81Å; S2-A6 PolarHBondContact O-N 3.47Å; S2-A6 VanDerWaalsContact O-N 3.09Å
3	E	94.9	Very high	94.1	Very high	162 Å²	162	104.8 Å²	104.8	76%	0.757	52%	0.524	S	S	*	.	H	α-helix	trans	-53.9	-38.1	173.3	-175.4	178.9	176.9	0	0	111.4	A6 L7	E3-A6 PolarHBondContact O-N 3.3Å; E3-L7 HydrophobicContact CG-CD1 4.43Å; E3-L7 WeakPolarHBondContact O-CG 3.13Å; E3-L7 PolarHBondContact O-N 3.02Å
4	L	95.5	Very high	94.4	Very high	98 Å²	98	103.4 Å²	103.4	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.1	-178.3	64.5	0	0	0	113.1	S2 R8	S2-L4 PolarHBondContact O-N 2.9Å; L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 WeakPolarHBondContact O-CG 3.36Å; L4-R8 PolarHBondContact O-N 3.18Å
5	E	96	Very high	94.5	Very high	95 Å²	95	103.9 Å²	103.9	44%	0.444	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-40.5	176.3	-76.9	163	-175.5	0	0	111.5	M1 S2 R8 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 3.8Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.41Å; S2-E5 PolarHBondContact N-OE2 3.25Å; S2-E5 WeakPolarHBondContact O-CB 3.37Å; S2-E5 PolarHBondContact O-N 3.45Å; S2-E5 VanDerWaalsContact OG-CG 3.25Å; S2-E5 WeakPolarHBondContact OG-CG 3.48Å; S2-E5 PolarHBondContact OG-N 2.81Å; E5-R8 PolarHBondContact O-N 3.09Å; E5-Q9 WeakPolarHBondContact O-CG 3.41Å; E5-Q9 PolarHBondContact O-N 3.05Å
6	A	96.9	Very high	94.7	Very high	47 Å²	47	100 Å²	100	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-47.6	176.9	0	0	0	0	0	111.2	S2 E3 R8 Q9 E10	S2-A6 PolarHBondContact O-N 3.47Å; S2-A6 VanDerWaalsContact O-N 3.09Å; E3-A6 PolarHBondContact O-N 3.3Å; A6-R8 PolarHBondContact O-N 3.01Å; A6-Q9 PolarHBondContact O-N 3.43Å; A6-E10 WeakPolarHBondContact O-CB 3.32Å; A6-E10 PolarHBondContact O-N 2.93Å
7	L	97.6	Very high	94.9	Very high	96 Å²	96	99.9 Å²	99.9	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-37.8	177	-70.9	171.5	0	0	0	112.8	E3 E10 A11	E3-L7 HydrophobicContact CG-CD1 4.43Å; E3-L7 WeakPolarHBondContact O-CG 3.13Å; E3-L7 PolarHBondContact O-N 3.02Å; L7-E10 PolarHBondContact O-N 2.92Å; L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.44Å
8	R	96.4	Very high	95.1	Very high	167 Å²	167	98.9 Å²	98.9	63%	0.63	50%	0.495	S	S	*	.	H	α-helix	trans	-64.8	-42.6	175	-77.9	177.2	177.6	178.5	-0.5	112	L4 E5 A6 A11 E12	L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 WeakPolarHBondContact O-CG 3.36Å; L4-R8 PolarHBondContact O-N 3.18Å; E5-R8 PolarHBondContact O-N 3.09Å; A6-R8 PolarHBondContact O-N 3.01Å; R8-A11 PolarHBondContact O-N 3.26Å; R8-E12 PolarHBondContact O-N 3.36Å; R8-E12 VanDerWaalsContact O-N 3.1Å
9	Q	96.8	Very high	95.2	Very high	112 Å²	112	101.7 Å²	101.7	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-43.4	176.9	-73.7	179.5	7.6	0	0	111.5	M1 E5 A6 A11 E12 Q13	M1-Q9 VanDerWaalsContact SD-CD 3.55Å; M1-Q9 PolarHBondContact SD-NE2 3.48Å; M1-Q9 VanDerWaalsContact SD-NE2 3.45Å; M1-Q9 PolarHBondContact SD-OE1 3.34Å; E5-Q9 WeakPolarHBondContact O-CG 3.41Å; E5-Q9 PolarHBondContact O-N 3.05Å; A6-Q9 PolarHBondContact O-N 3.43Å; Q9-A11 PolarHBondContact O-N 2.98Å; Q9-E12 PolarHBondContact O-N 3.24Å; Q9-Q13 WeakPolarHBondContact O-CB 3.48Å; Q9-Q13 PolarHBondContact O-N 3.49Å
10	E	97.9	Very high	95.4	Very high	105 Å²	105	102.9 Å²	102.9	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-45.2	175.4	-174.7	177.4	-171.2	0	0	111.5	A6 L7 E12 Q13 L14	A6-E10 WeakPolarHBondContact O-CB 3.32Å; A6-E10 PolarHBondContact O-N 2.93Å; L7-E10 PolarHBondContact O-N 2.92Å; E10-E12 PolarHBondContact O-N 3.44Å; E10-Q13 WeakPolarHBondContact O-CB 3.38Å; E10-Q13 PolarHBondContact O-N 3.1Å; E10-L14 HydrophobicContact CG-CD1 4.23Å; E10-L14 WeakPolarHBondContact O-CG 3.43Å; E10-L14 PolarHBondContact O-N 2.76Å
11	A	96.9	Very high	95.5	Very high	44 Å²	44	101 Å²	101	36%	0.364	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-44.4	177.2	0	0	0	0	0	112.7	L7 R8 Q9 L14 K15	L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.44Å; R8-A11 PolarHBondContact O-N 3.26Å; Q9-A11 PolarHBondContact O-N 2.98Å; A11-L14 PolarHBondContact O-N 2.94Å; A11-K15 WeakPolarHBondContact O-CG 3.34Å; A11-K15 PolarHBondContact O-N 3.19Å
12	E	97.3	Very high	96.9	Very high	98 Å²	98	95.1 Å²	95.1	46%	0.458	47%	0.474	S	S	.	.	H	α-helix	trans	-67.6	-35.7	176.6	-71.7	-54	129.4	0	0	112.5	R8 Q9 E10 K15 S16	R8-E12 PolarHBondContact O-N 3.36Å; R8-E12 VanDerWaalsContact O-N 3.1Å; Q9-E12 PolarHBondContact O-N 3.24Å; E10-E12 PolarHBondContact O-N 3.44Å; E12-K15 PolarHBondContact O-N 2.97Å; E12-K15 IonicContact OE1-NZ 2.77Å; E12-K15 PolarHBondContact OE1-NZ 3.49Å; E12-S16 PolarHBondContact O-N 3.14Å
13	Q	98.3	Very high	97.2	Very high	122 Å²	122	100.5 Å²	100.5	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-46.9	174	-174.3	178.1	10.1	0	0	111.3	Q9 E10 K15 S16 Q17	Q9-Q13 WeakPolarHBondContact O-CB 3.48Å; Q9-Q13 PolarHBondContact O-N 3.49Å; E10-Q13 WeakPolarHBondContact O-CB 3.38Å; E10-Q13 PolarHBondContact O-N 3.1Å; Q13-K15 PolarHBondContact O-N 3.4Å; Q13-S16 WeakPolarHBondContact O-CB 3.47Å; Q13-S16 PolarHBondContact O-N 3.09Å; Q13-S16 VanDerWaalsContact O-N 3.14Å; Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.25Å
14	L	98.3	Very high	97.4	Very high	86 Å²	86	97 Å²	97	45%	0.45	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-43	176.5	-71.2	171.2	0	0	0	111.6	E10 A11 S16 Q17 I18	E10-L14 HydrophobicContact CG-CD1 4.23Å; E10-L14 WeakPolarHBondContact O-CG 3.43Å; E10-L14 PolarHBondContact O-N 2.76Å; A11-L14 PolarHBondContact O-N 2.94Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 2.95Å; L14-Q17 PolarHBondContact O-N 3Å; L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 3.14Å
15	K	96.9	Very high	97.5	Very high	110 Å²	110	95.2 Å²	95.2	48%	0.478	49%	0.488	S	S	.	.	H	α-helix	trans	-60.2	-37.4	173.3	-72.8	175.3	-170.6	171.7	0	112.4	A11 E12 Q13 R19	A11-K15 WeakPolarHBondContact O-CG 3.34Å; A11-K15 PolarHBondContact O-N 3.19Å; E12-K15 PolarHBondContact O-N 2.97Å; E12-K15 IonicContact OE1-NZ 2.77Å; E12-K15 PolarHBondContact OE1-NZ 3.49Å; Q13-K15 PolarHBondContact O-N 3.4Å; K15-R19 WeakPolarHBondContact O-CG 3.4Å; K15-R19 PolarHBondContact O-N 3.4Å; K15-R19 VanDerWaalsContact O-N 3.09Å; K15-R19 PolarHBondContact O-NE 3.41Å
16	S	97.6	Very high	97.4	Very high	42 Å²	42	94.9 Å²	94.9	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-46.4	175.5	-160.6	0	0	0	0	111.5	E12 Q13 L14 I18 R19 E20	E12-S16 PolarHBondContact O-N 3.14Å; Q13-S16 WeakPolarHBondContact O-CB 3.47Å; Q13-S16 PolarHBondContact O-N 3.09Å; Q13-S16 VanDerWaalsContact O-N 3.14Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 2.95Å; S16-I18 VanDerWaalsContact C-N 3.33Å; S16-I18 PolarHBondContact O-N 3.37Å; S16-R19 PolarHBondContact O-N 2.97Å; S16-E20 WeakPolarHBondContact O-CG 3.35Å; S16-E20 PolarHBondContact O-N 3.44Å
17	Q	98.4	Very high	97.4	Very high	98 Å²	98	99.7 Å²	99.7	46%	0.458	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-42.7	177.3	-69.5	174	7.9	0	0	112	Q13 L14 E20 A21	Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.25Å; L14-Q17 PolarHBondContact O-N 3Å; Q17-E20 PolarHBondContact O-N 2.9Å; Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.37Å
18	I	98	Very high	97.3	Very high	82 Å²	82	98.4 Å²	98.4	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-45	176.3	-67.3	167.3	0	0	0	111	L14 S16 E20 A21 R22	L14-I18 WeakPolarHBondContact O-CG1 3.34Å; L14-I18 PolarHBondContact O-N 3.14Å; S16-I18 VanDerWaalsContact C-N 3.33Å; S16-I18 PolarHBondContact O-N 3.37Å; I18-E20 VanDerWaalsContact C-N 3.33Å; I18-E20 PolarHBondContact O-N 3.48Å; I18-A21 PolarHBondContact O-N 2.59Å; I18-R22 HydrophobicContact CG2-CG 4.49Å; I18-R22 WeakPolarHBondContact O-CG 3.43Å; I18-R22 PolarHBondContact O-N 2.81Å
19	R	97.2	Very high	97.3	Very high	152 Å²	152	94 Å²	94	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-60.9	-41.8	177.4	-77.3	-176.9	-70.7	161.2	-4.7	112.1	K15 S16 K23	K15-R19 WeakPolarHBondContact O-CG 3.4Å; K15-R19 PolarHBondContact O-N 3.4Å; K15-R19 VanDerWaalsContact O-N 3.09Å; K15-R19 PolarHBondContact O-NE 3.41Å; S16-R19 PolarHBondContact O-N 2.97Å; R19-K23 WeakPolarHBondContact O-CB 3.3Å; R19-K23 PolarHBondContact O-N 2.77Å
20	E	98	Very high	97.2	Very high	126 Å²	126	89.9 Å²	89.9	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-65.1	-43.3	176.2	-73.3	174.5	-173.5	0	0	111.9	S16 Q17 I18 K23 A24	S16-E20 WeakPolarHBondContact O-CG 3.35Å; S16-E20 PolarHBondContact O-N 3.44Å; Q17-E20 PolarHBondContact O-N 2.9Å; I18-E20 VanDerWaalsContact C-N 3.33Å; I18-E20 PolarHBondContact O-N 3.48Å; E20-K23 PolarHBondContact O-N 2.95Å; E20-A24 WeakPolarHBondContact O-CB 3.43Å; E20-A24 PolarHBondContact O-N 3.23Å
21	A	98.3	Very high	97	Very high	63 Å²	63	86.9 Å²	86.9	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-45.3	176.9	0	0	0	0	0	112.3	Q17 I18 A24 A25	Q17-A21 WeakPolarHBondContact O-CB 3.34Å; Q17-A21 PolarHBondContact O-N 3.37Å; I18-A21 PolarHBondContact O-N 2.59Å; A21-A24 PolarHBondContact O-N 3.2Å; A21-A25 PolarHBondContact O-N 3.38Å; A21-A25 VanDerWaalsContact O-N 3.17Å
22	R	97.9	Very high	96.9	Very high	38 Å²	38	87.5 Å²	87.5	14%	0.143	48%	0.476	C	S	.	.	H	α-helix	trans	-61.8	-45.7	175.5	-72.9	174.1	-179.8	174.5	-7.7	111.9	I18 A24 A25 N26 T221 P223 D258 Q259	I18-R22 HydrophobicContact CG2-CG 4.49Å; I18-R22 WeakPolarHBondContact O-CG 3.43Å; I18-R22 PolarHBondContact O-N 2.81Å; R22-A24 VanDerWaalsContact C-N 3.3Å; R22-A24 PolarHBondContact O-N 3.01Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.11Å; R22-N26 PolarHBondContact O-N 3.18Å; R22-N26 VanDerWaalsContact O-N 3.1Å; R22-T221 PolarHBondContact NH2-O 3.09Å; R22-P223 VanDerWaalsContact NH1-CG 3.26Å; R22-D258 WeakPolarHBondContact CD-O 3.44Å; R22-D258 IonicContact CZ-OD2 2.77Å; R22-D258 PolarHBondContact NE-O 2.71Å; R22-D258 IonicContact NE-OD2 3.53Å; R22-D258 PolarHBondContact NE-OD2 3.39Å; R22-D258 PolarHBondContact NH2-O 3.42Å; R22-D258 IonicContact NH2-OD1 3.75Å; R22-D258 IonicContact NH2-OD2 3.18Å; R22-D258 PolarHBondContact NH2-OD2 2.84Å; R22-Q259 HydrophobicContact CG-CB 4.48Å; R22-Q259 PolarHBondContact O-NE2 2.88Å; R22-Q259 PolarHBondContact O-OE1 3.43Å
23	K	96.8	Very high	96.8	Very high	168 Å²	168	87.1 Å²	87.1	73%	0.73	48%	0.481	S	S	*	.	H	α-helix	trans	-60.5	-39.6	176.8	-175.1	178.9	179.4	-179	0	111.9	R19 E20 A25 N26	R19-K23 WeakPolarHBondContact O-CB 3.3Å; R19-K23 PolarHBondContact O-N 2.77Å; E20-K23 PolarHBondContact O-N 2.95Å; K23-A25 VanDerWaalsContact C-N 3.26Å; K23-A25 PolarHBondContact O-N 3.31Å; K23-N26 PolarHBondContact O-N 3.19Å
24	A	97.9	Very high	96.6	Very high	87 Å²	87	81.4 Å²	81.4	72%	0.719	45%	0.454	S	S	*	.	H	α-helix	trans	-66.3	-28.4	177.2	0	0	0	0	0	112.9	E20 A21 R22	E20-A24 WeakPolarHBondContact O-CB 3.43Å; E20-A24 PolarHBondContact O-N 3.23Å; A21-A24 PolarHBondContact O-N 3.2Å; R22-A24 VanDerWaalsContact C-N 3.3Å; R22-A24 PolarHBondContact O-N 3.01Å
25	A	97.2	Very high	96.4	Very high	61 Å²	61	81.3 Å²	81.3	50%	0.504	47%	0.465	S	S	.	.	H	α-helix	trans	-89.2	-7.1	177.1	0	0	0	0	0	114.2	A21 R22 K23 D27	A21-A25 PolarHBondContact O-N 3.38Å; A21-A25 VanDerWaalsContact O-N 3.17Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.11Å; K23-A25 VanDerWaalsContact C-N 3.26Å; K23-A25 PolarHBondContact O-N 3.31Å; A25-D27 PolarHBondContact O-N 3.03Å
26	N	94.9	Very high	96.2	Very high	89 Å²	89	81.6 Å²	81.6	48%	0.476	48%	0.482	S	S	.	.			trans	-88.7	73.6	-177.7	-167.3	9.5	0	0	0	111	R22 K23 T28	R22-N26 PolarHBondContact O-N 3.18Å; R22-N26 VanDerWaalsContact O-N 3.1Å; K23-N26 PolarHBondContact O-N 3.19Å; N26-T28 PolarHBondContact OD1-O 3.33Å
27	D	96.4	Very high	96.1	Very high	148 Å²	148	82.9 Å²	82.9	79%	0.791	48%	0.484	S	S	*	.			trans	-85.9	-21.8	-172.7	66.6	-27	0	0	0	114.3	A25	A25-D27 PolarHBondContact O-N 3.03Å
28	T	96.4	Very high	95.8	Very high	69 Å²	69	86 Å²	86	42%	0.423	50%	0.499	S	S	.	.	S	Bend	trans	-151.7	175.8	178.7	-167.1	0	0	0	0	111.3	N26 V33	N26-T28 PolarHBondContact OD1-O 3.33Å; T28-V33 HydrophobicContact CG2-CG2 3.81Å
29	T	95.1	Very high	95.6	Very high	74 Å²	74	85.8 Å²	85.8	45%	0.454	50%	0.502	S	S	.	.			trans	-117.4	155.8	175.6	69.4	0	0	0	0	111.4	A31 A32 V33	T29-A31 PolarHBondContact O-N 3.31Å; T29-A32 PolarHBondContact O-N 2.95Å; T29-A32 VanDerWaalsContact O-N 3.17Å; T29-A32 WeakPolarHBondContact OG1-CB 3.38Å; T29-A32 PolarHBondContact OG1-N 3.24Å; T29-V33 WeakPolarHBondContact O-CG2 3.4Å; T29-V33 PolarHBondContact O-N 2.9Å; T29-V33 VanDerWaalsContact O-N 3.11Å
30	L	95.9	Very high	95.5	Very high	26 Å²	26	80.7 Å²	80.7	14%	0.136	49%	0.488	C	S	.	.	H	α-helix	trans	-57.6	-40.9	175.5	-175.5	62.8	0	0	0	111.7	A32 V33 A34 L252 L261 A262 S299 M300	L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.44Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-A34 VanDerWaalsContact O-CB 3.27Å; L30-A34 WeakPolarHBondContact O-CB 3.36Å; L30-A34 PolarHBondContact O-N 3.09Å; L30-L252 HydrophobicContact CD2-CD2 3.91Å; L30-L261 HydrophobicContact CB-CB 4.47Å; L30-L261 WeakPolarHBondContact CB-O 3.36Å; L30-A262 HydrophobicContact CB-CB 4.5Å; L30-A262 HydrophobicContact CD2-CB 3.88Å; L30-S299 WeakPolarHBondContact CD2-O 3.5Å; L30-M300 HydrophobicContact CD1-CE 3.77Å; L30-M300 HydrophobicContact CD1-SD 4.18Å
31	A	92.4	Very high	95.3	Very high	41 Å²	41	76.7 Å²	76.7	34%	0.339	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-39.6	178.2	0	0	0	0	0	112.5	T29 A34 A35	T29-A31 PolarHBondContact O-N 3.31Å; A31-A34 PolarHBondContact O-N 2.99Å; A31-A35 PolarHBondContact O-N 2.99Å; A31-A35 VanDerWaalsContact O-N 3.11Å
32	A	94.8	Very high	95.2	Very high	57 Å²	57	83.3 Å²	83.3	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-40.9	176.7	0	0	0	0	0	111.8	T29 L30 A34 A35	T29-A32 PolarHBondContact O-N 2.95Å; T29-A32 VanDerWaalsContact O-N 3.17Å; T29-A32 WeakPolarHBondContact OG1-CB 3.38Å; T29-A32 PolarHBondContact OG1-N 3.24Å; L30-A32 VanDerWaalsContact C-N 3.35Å; L30-A32 PolarHBondContact O-N 3.44Å; A32-A34 VanDerWaalsContact C-N 3.35Å; A32-A35 WeakPolarHBondContact O-CB 3.33Å; A32-A35 PolarHBondContact O-N 3.2Å
33	V	95.1	Very high	95.2	Very high	91 Å²	91	83.5 Å²	83.5	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-67	-37.1	176.2	176.5	0	0	0	0	111.5	T28 T29 L30 A35	T28-V33 HydrophobicContact CG2-CG2 3.81Å; T29-V33 WeakPolarHBondContact O-CG2 3.4Å; T29-V33 PolarHBondContact O-N 2.9Å; T29-V33 VanDerWaalsContact O-N 3.11Å; L30-V33 PolarHBondContact O-N 3.45Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.92Å
34	A	95	Very high	95.2	Very high	2 Å²	2	81.6 Å²	81.6	2%	0.017	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.9	-178.6	0	0	0	0	0	114.4	L30 A31 A32 S36 M37 M300	L30-A34 VanDerWaalsContact O-CB 3.27Å; L30-A34 WeakPolarHBondContact O-CB 3.36Å; L30-A34 PolarHBondContact O-N 3.09Å; A31-A34 PolarHBondContact O-N 2.99Å; A32-A34 VanDerWaalsContact C-N 3.35Å; A34-S36 PolarHBondContact O-N 3.37Å; A34-S36 VanDerWaalsContact O-N 3.08Å; A34-M37 HydrophobicContact CB-CG 4.39Å; A34-M37 HydrophobicContact CB-SD 3.88Å; A34-M37 VanDerWaalsContact O-CB 3.27Å; A34-M37 WeakPolarHBondContact O-CB 3.41Å; A34-M37 WeakPolarHBondContact O-CG 3.33Å; A34-M37 PolarHBondContact O-N 3.16Å; A34-M300 HydrophobicContact CB-CB 3.94Å; A34-M300 HydrophobicContact CB-CE 4.24Å; A34-M300 WeakPolarHBondContact CB-O 3.43Å
35	A	93.1	Very high	95.2	Very high	83 Å²	83	79.3 Å²	79.3	69%	0.686	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.9	-171.3	0	0	0	0	0	114.5	A31 A32 V33	A31-A35 PolarHBondContact O-N 2.99Å; A31-A35 VanDerWaalsContact O-N 3.11Å; A32-A35 WeakPolarHBondContact O-CB 3.33Å; A32-A35 PolarHBondContact O-N 3.2Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.92Å
36	S	93.7	Very high	95.2	Very high	117 Å²	117	84.6 Å²	84.6	82%	0.818	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.5	177.4	61.4	0	0	0	0	114	A34	A34-S36 PolarHBondContact O-N 3.37Å; A34-S36 VanDerWaalsContact O-N 3.08Å
37	M	94.7	Very high	95.4	Very high	69 Å²	69	83 Å²	83	34%	0.34	46%	0.464	S	S	.	.	S	Bend	trans	-76.4	141.2	-179	-63.6	-176.6	64.5	0	0	111	A34 M300 Q301	A34-M37 HydrophobicContact CB-CG 4.39Å; A34-M37 HydrophobicContact CB-SD 3.88Å; A34-M37 VanDerWaalsContact O-CB 3.27Å; A34-M37 WeakPolarHBondContact O-CB 3.41Å; A34-M37 WeakPolarHBondContact O-CG 3.33Å; A34-M37 PolarHBondContact O-N 3.16Å; M37-M300 HydrophobicContact CE-CB 4.29Å; M37-M300 HydrophobicContact CE-CE 4.41Å; M37-M300 HydrophobicContact CE-CG 3.96Å; M37-M300 HydrophobicContact SD-CB 4.01Å; M37-M300 HydrophobicContact SD-CE 3.65Å; M37-M300 HydrophobicContact SD-CG 4.07Å; M37-Q301 PolarHBondContact O-NE2 3.3Å
38	E	93.9	Very high	95.5	Very high	164 Å²	164	81.3 Å²	81.3	77%	0.766	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-65.1	130.2	171.2	-169.9	178.3	-177.6	0	0	110.2	R283	E38-R283 PolarHBondContact O-NH2 2.77Å
39	P	92.9	Very high	95.6	Very high	76 Å²	76	83.2 Å²	83.2	49%	0.494	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-57.4	146.7	174.2	-23.4	33.2	0	0	0	112.1	G41	P39-G41 PolarHBondContact O-N 3.34Å; P39-G41 VanDerWaalsContact O-N 3.16Å
40	V	94.6	Very high	95.8	Very high	46 Å²	46	81.1 Å²	81.1	28%	0.279	43%	0.433	S	S	.	.			trans	-59.8	-26.8	173.5	175.1	0	0	0	0	111.8	I43 R283 L284 D298	V40-I43 HydrophobicContact CG1-CD1 3.5Å; V40-I43 VanDerWaalsContact CG1-CD1 3.5Å; V40-I43 HydrophobicContact CG1-CG1 3.71Å; V40-R283 HydrophobicContact CG2-CG 3.67Å; V40-R283 VanDerWaalsContact CG2-NE 3.29Å; V40-L284 HydrophobicContact CG1-CD2 4.09Å; V40-L284 HydrophobicContact CG2-CD2 4.22Å; V40-D298 HydrophobicContact CG2-CB 4.41Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.49Å
41	G	94.7	Very high	95.9	Very high	41 Å²	41	79.9 Å²	79.9	42%	0.423	43%	0.427	S	S	.	.			trans	75.6	-172.9	-169	0	0	0	0	0	112	P39 I43	P39-G41 PolarHBondContact O-N 3.34Å; P39-G41 VanDerWaalsContact O-N 3.16Å; G41-I43 PolarHBondContact O-N 2.81Å
42	R	96.3	Very high	96.2	Very high	202 Å²	202	85.4 Å²	85.4	76%	0.762	44%	0.439	S	S	*	.			trans	-77.6	114.3	-174.4	-170.6	179	-179.9	178.5	3.6	111.3	Q44 S305	R42-Q44 HydrophobicContact CG-CG 4.13Å; R42-S305 CarbonylContact C-O 3.6Å; R42-S305 WeakPolarHBondContact CA-O 3.27Å
43	I	97	Very high	96.3	Very high	42 Å²	42	84 Å²	84	22%	0.215	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-82.2	120	173.8	-63	-60.9	0	0	0	109.9	V40 G41 M45 L284 V296 S305	V40-I43 HydrophobicContact CG1-CD1 3.5Å; V40-I43 VanDerWaalsContact CG1-CD1 3.5Å; V40-I43 HydrophobicContact CG1-CG1 3.71Å; G41-I43 PolarHBondContact O-N 2.81Å; I43-M45 HydrophobicContact CG2-CG 3.72Å; I43-M45 HydrophobicContact CG2-SD 4.27Å; I43-L284 HydrophobicContact CG1-CD2 4.42Å; I43-V296 HydrophobicContact CG2-CG1 4.43Å; I43-S305 PolarHBondContact N-O 3.28Å
44	Q	96.9	Very high	96.4	Very high	128 Å²	128	80.1 Å²	80.1	60%	0.598	41%	0.405	S	S	*	.			trans	-123.4	78.8	178.2	-65.4	-173.1	-13.9	0	0	110.4	R42	R42-Q44 HydrophobicContact CG-CG 4.13Å
45	M	98.3	Very high	96.6	Very high	40 Å²	40	86.6 Å²	86.6	20%	0.197	44%	0.439	C	S	.	.			trans	-76.3	152	174.8	-53.3	176.6	81.4	0	0	110.3	I43 F286 L308 V327 W339	I43-M45 HydrophobicContact CG2-CG 3.72Å; I43-M45 HydrophobicContact CG2-SD 4.27Å; M45-F286 HydrophobicContact SD-CE1 3.7Å; M45-F286 HydrophobicContact SD-CZ 4.14Å; M45-L308 HydrophobicContact CB-CD2 3.69Å; M45-L308 HydrophobicContact CG-CD2 4.05Å; M45-L308 HydrophobicContact SD-CD1 4.34Å; M45-L308 HydrophobicContact SD-CD2 3.9Å; M45-V327 HydrophobicContact CE-CG1 3.55Å; M45-V327 HydrophobicContact SD-CG1 4.07Å; M45-W339 HydrophobicContact CB-CB 4.14Å; M45-W339 HydrophobicContact CE-CB 4.14Å
46	R	98.1	Very high	96.8	Very high	172 Å²	172	84 Å²	84	65%	0.649	42%	0.418	S	S	*	.			trans	-118.6	145.1	176.4	-63.5	-177.8	-178.5	-176	0.8	110.3	R48 W339 N340	R46-R48 PolarHBondContact O-N 2.94Å; R46-R48 VanDerWaalsContact O-N 3.15Å; R46-W339 WeakPolarHBondContact O-CA 3.23Å; R46-N340 PolarHBondContact N-O 2.86Å; R46-N340 VanDerWaalsContact N-O 3.07Å; R46-N340 PolarHBondContact O-N 3.3Å
47	T	98.5	Very high	97	Very high	54 Å²	54	82.2 Å²	82.2	33%	0.331	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	116.3	169.3	-49.1	0	0	0	0	109.5	R49 K337 I338 W339	T47-R49 VanDerWaalsContact CG2-O 3.25Å; T47-R49 WeakPolarHBondContact CG2-O 3.42Å; T47-K337 HydrophobicContact CG2-CB 4Å; T47-K337 HydrophobicContact CG2-CD 4.44Å; T47-K337 HydrophobicContact CG2-CG 4.07Å; T47-I338 CarbonylContact C-O 3.6Å; T47-I338 WeakPolarHBondContact CA-O 3.48Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.24Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.4Å
48	R	98.4	Very high	97.2	Very high	114 Å²	114	78.9 Å²	78.9	43%	0.43	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-29.6	176.2	-56.4	-50.6	174.4	159.8	2.1	113	R46 I338 N340	R46-R48 PolarHBondContact O-N 2.94Å; R46-R48 VanDerWaalsContact O-N 3.15Å; R48-I338 PolarHBondContact N-O 2.7Å; R48-N340 WeakPolarHBondContact CD-OD1 3.15Å; R48-N340 WeakPolarHBondContact CG-OD1 3.16Å; R48-N340 PolarHBondContact NE-O 3.17Å; R48-N340 VanDerWaalsContact NE-O 3.12Å; R48-N340 PolarHBondContact NE-OD1 3.3Å; R48-N340 PolarHBondContact NH2-O 3.32Å
49	R	98.3	Very high	97.5	Very high	108 Å²	108	74.1 Å²	74.1	41%	0.408	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.8	179.2	-56.8	-68.9	-174.3	-86.2	-1.5	109.9	T47 Y85 T87 K337 I338	T47-R49 VanDerWaalsContact CG2-O 3.25Å; T47-R49 WeakPolarHBondContact CG2-O 3.42Å; R49-Y85 PolarHBondContact NE-O 2.75Å; R49-Y85 VanDerWaalsContact NE-O 3.17Å; R49-Y85 PolarHBondContact NH2-O 3.47Å; R49-T87 HydrophobicContact CB-CG2 4.16Å; R49-T87 HydrophobicContact CG-CG2 4.25Å; R49-K337 WeakPolarHBondContact O-CA 3.49Å; R49-I338 HydrophobicContact CB-CB 4.06Å; R49-I338 HydrophobicContact CB-CD1 4.08Å; R49-I338 HydrophobicContact CB-CG1 4.21Å; R49-I338 HydrophobicContact CG-CD1 4.47Å; R49-I338 PolarHBondContact N-O 2.7Å; R49-I338 PolarHBondContact O-N 3.14Å
50	T	98.6	Very high	97.7	Very high	30 Å²	30	71 Å²	71	18%	0.184	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.3	170.3	-56.4	0	0	0	0	107.5	R52 F335 L336 K337	T50-R52 HydrophobicContact CG2-CG 4.19Å; T50-R52 PolarHBondContact O-NH1 3.03Å; T50-F335 HydrophobicContact CG2-CB 4.35Å; T50-F335 HydrophobicContact CG2-CD1 4.16Å; T50-F335 HydrophobicContact CG2-CG 4.42Å; T50-L336 CarbonylContact C-O 3.6Å; T50-L336 WeakPolarHBondContact CA-O 3.38Å; T50-K337 HydrophobicContact CG2-CG 4.4Å
51	L	98.6	Very high	97.9	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120	-179.9	-49.8	-177.7	0	0	0	108.5	L70 W82 T87 L336 I338	L51-L70 HydrophobicContact CD1-CD1 4.08Å; L51-L70 HydrophobicContact CD1-CD2 4.04Å; L51-L70 HydrophobicContact CD1-CG 4.48Å; L51-W82 HydrophobicContact CB-CD2 4.21Å; L51-W82 HydrophobicContact CB-CE3 3.92Å; L51-W82 HydrophobicContact CB-CH2 4.28Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 4.02Å; L51-W82 HydrophobicContact CD1-CD2 4.01Å; L51-W82 HydrophobicContact CD1-CE3 4.33Å; L51-W82 HydrophobicContact CD1-CG 3.88Å; L51-W82 HydrophobicContact CD2-CE3 4.47Å; L51-W82 HydrophobicContact CG-CE3 4.47Å; L51-T87 HydrophobicContact CD2-CG2 3.91Å; L51-L336 HydrophobicContact CB-CB 4.07Å; L51-L336 HydrophobicContact CB-CD1 4.3Å; L51-L336 HydrophobicContact CD1-CB 4.11Å; L51-L336 HydrophobicContact CG-CB 4.27Å; L51-L336 PolarHBondContact N-O 2.81Å; L51-L336 PolarHBondContact O-N 3.46Å; L51-I338 HydrophobicContact CD1-CD1 4.35Å; L51-I338 HydrophobicContact CD2-CD1 4.47Å
52	R	98.2	Very high	98.1	Very high	157 Å²	157	69.7 Å²	69.7	59%	0.592	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.3	-176.5	-58.5	-173.9	174.7	80.2	-3	109.8	T50 K89 F335	T50-R52 HydrophobicContact CG2-CG 4.19Å; T50-R52 PolarHBondContact O-NH1 3.03Å; R52-K89 WeakPolarHBondContact O-CE 3.34Å; R52-K89 PolarHBondContact O-NZ 3.5Å; R52-F335 HydrophobicContact CB-CE1 4.44Å; R52-F335 HydrophobicContact CG-CD1 3.88Å; R52-F335 HydrophobicContact CG-CE1 3.8Å
53	G	97.1	Very high	98.3	Very high	26 Å²	26	60.9 Å²	60.9	27%	0.268	28%	0.282	S	S	.	.			trans	165.3	-21.2	175.2	0	0	0	0	0	116.5
54	H	98.4	Very high	98.3	Very high	11 Å²	11	59 Å²	59	5%	0.051	27%	0.273	C	S	.	.			trans	-73.5	150.6	168.2	-74.9	-61.9	0	0	0	110.8	I58 S72 S74 D76 K78 W82	H54-I58 HydrophobicContact CB-CD1 4.43Å; H54-I58 HydrophobicContact CB-CG1 4.17Å; H54-S72 PolarHBondContact NE2-OG 3.05Å; H54-S74 WeakPolarHBondContact CE1-CB 3.48Å; H54-S74 WeakPolarHBondContact ND1-CB 3.34Å; H54-D76 WeakPolarHBondContact CA-OD2 3.41Å; H54-D76 IonicContact CG-OD2 3.59Å; H54-D76 IonicContact ND1-OD1 3.04Å; H54-D76 PolarHBondContact ND1-OD1 3.42Å; H54-D76 IonicContact ND1-OD2 2.78Å; H54-D76 PolarHBondContact ND1-OD2 3.18Å; H54-K78 PolarHBondContact CE1-O 3.32Å; H54-W82 AromaticContact CD2-CZ2 3.99Å
55	L	97.6	Very high	98.4	Very high	138 Å²	138	56.4 Å²	56.4	72%	0.723	27%	0.265	S	S	*	.	S	Bend	trans	-111.7	-2.4	-179.4	-58.6	178.2	0	0	0	112.7	D76	L55-D76 HydrophobicContact CB-CB 4.2Å; L55-D76 PolarHBondContact N-OD2 3.38Å
56	A	98.2	Very high	98.3	Very high	29 Å²	29	58.3 Å²	58.3	24%	0.24	28%	0.276	C	S	.	.	S	Bend	trans	-146.5	-179.6	178.9	0	0	0	0	0	110.5	I58 S74 Q75 D76 S334	A56-I58 PolarHBondContact O-N 3.38Å; A56-S74 PolarHBondContact O-OG 2.93Å; A56-Q75 HydrophobicContact CB-CB 4.37Å; A56-D76 HydrophobicContact CB-CB 3.89Å; A56-S334 VanDerWaalsContact C-OG 3.23Å; A56-S334 PolarHBondContact N-OG 3.44Å; A56-S334 WeakPolarHBondContact O-CB 3.49Å; A56-S334 PolarHBondContact O-OG 2.76Å; A56-S334 VanDerWaalsContact O-OG 3.07Å
57	K	98.5	Very high	98.3	Very high	78 Å²	78	50.6 Å²	50.6	34%	0.339	25%	0.249	S	C	.	.			trans	-49.6	126.3	-179.3	-60	179	177.3	-174.7	0	111.6	Y59 S74 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.29Å; K57-Y59 HydrophobicContact CB-CE2 4.01Å; K57-Y59 HydrophobicContact CD-CE2 4.43Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.27Å; K57-S74 WeakPolarHBondContact O-CB 3.48Å; K57-S74 PolarHBondContact O-OG 2.72Å; K57-Q75 PolarHBondContact O-N 3.25Å; K57-W332 HydrophobicContact CB-CB 4.23Å; K57-W332 HydrophobicContact CB-CG 3.97Å; K57-W332 HydrophobicContact CD-CB 4.27Å; K57-W332 HydrophobicContact CD-CD2 3.77Å; K57-W332 HydrophobicContact CD-CE3 4.14Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.89Å; K57-W332 HydrophobicContact CG-CD2 4.33Å; K57-W332 HydrophobicContact CG-CG 3.87Å
58	I	98.8	Very high	98.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.6	168.3	-65	159	0	0	0	107.2	H54 A56 S316 S331 W332 S334 F335 L336	H54-I58 HydrophobicContact CB-CD1 4.43Å; H54-I58 HydrophobicContact CB-CG1 4.17Å; A56-I58 PolarHBondContact O-N 3.38Å; I58-S316 WeakPolarHBondContact O-CB 3.3Å; I58-S316 PolarHBondContact O-OG 3.36Å; I58-S331 WeakPolarHBondContact CB-O 3.23Å; I58-S331 PolarHBondContact N-O 2.93Å; I58-W332 VanDerWaalsContact O-CD1 3.29Å; I58-S334 VanDerWaalsContact CD1-C 3.43Å; I58-F335 WeakPolarHBondContact CD1-O 3.22Å; I58-L336 HydrophobicContact CD1-CD1 3.49Å; I58-L336 VanDerWaalsContact CD1-CD1 3.49Å; I58-L336 HydrophobicContact CD1-CG 3.84Å
59	Y	98.6	Very high	98.3	Very high	63 Å²	63	48.8 Å²	48.8	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-42.4	178.2	-95.9	-109.5	0	0	0	111.7	K57 A73 Q75 M101 C317 W332	K57-Y59 HydrophobicContact CB-CD2 4.29Å; K57-Y59 HydrophobicContact CB-CE2 4.01Å; K57-Y59 HydrophobicContact CD-CE2 4.43Å; Y59-A73 PolarHBondContact N-O 3.48Å; Y59-Q75 HydrophobicContact CD2-CG 3.78Å; Y59-Q75 HydrophobicContact CE2-CG 3.68Å; Y59-Q75 PolarHBondContact OH-NE2 2.8Å; Y59-Q75 VanDerWaalsContact OH-NE2 3.08Å; Y59-M101 HydrophobicContact CD1-CG 4.48Å; Y59-C317 WeakPolarHBondContact O-CB 3.15Å; Y59-W332 AromaticContact CE2-NE1 3.72Å
60	A	98.8	Very high	98.3	Very high	12 Å²	12	43.7 Å²	43.7	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.7	-176.8	0	0	0	0	0	111.7	S72 A73 C103	A60-S72 WeakPolarHBondContact O-CA 3.22Å; A60-A73 PolarHBondContact O-N 3.49Å; A60-C103 VanDerWaalsContact C-SG 3.6Å
61	M	98.8	Very high	98.4	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.1	167.3	71.4	80.1	55.2	0	0	109.2	W63 L70 V71 C317 C328 L336	M61-W63 HydrophobicContact CE-CD2 4.37Å; M61-W63 HydrophobicContact CE-CG 4.32Å; M61-L70 HydrophobicContact CE-CB 4.13Å; M61-L70 HydrophobicContact CE-CD1 3.74Å; M61-L70 HydrophobicContact CE-CG 4.38Å; M61-V71 CarbonylContact C-O 3.54Å; M61-V71 WeakPolarHBondContact CA-O 3.16Å; M61-C317 HydrophobicContact CG-CB 4.19Å; M61-C317 VanDerWaalsContact CG-SG 3.58Å; M61-C328 HydrophobicContact CE-CB 3.5Å; M61-C328 HydrophobicContact SD-CB 4.31Å; M61-L336 HydrophobicContact CB-CD2 3.83Å; M61-L336 HydrophobicContact CG-CD2 4.3Å
62	H	98.9	Very high	98.4	Very high	49 Å²	49	42.2 Å²	42.2	23%	0.227	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	128.5	175.6	-168.1	-114.2	0	0	0	110.1	L70 V71 Y105	H62-L70 CarbonylContact O-C 3.58Å; H62-L70 VanDerWaalsContact O-CA 3.31Å; H62-L70 WeakPolarHBondContact O-CA 3.41Å; H62-L70 WeakPolarHBondContact O-CB 3.44Å; H62-V71 HydrophobicContact CB-CG1 4.02Å; H62-V71 PolarHBondContact N-O 3.03Å; H62-V71 PolarHBondContact O-N 3.25Å; H62-Y105 WeakPolarHBondContact ND1-CB 3.05Å; H62-Y105 PolarHBondContact ND1-N 2.88Å
63	W	98.8	Very high	98.4	Very high	16 Å²	16	34.7 Å²	34.7	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	147	171.8	-74.3	109.7	0	0	0	110.7	M61 L70 G319 T321 C328 I338	M61-W63 HydrophobicContact CE-CD2 4.37Å; M61-W63 HydrophobicContact CE-CG 4.32Å; W63-L70 HydrophobicContact CD2-CB 4.1Å; W63-L70 HydrophobicContact CD2-CD2 4.39Å; W63-L70 HydrophobicContact CE3-CB 3.74Å; W63-L70 HydrophobicContact CE3-CD2 3.82Å; W63-L70 HydrophobicContact CE3-CG 4.43Å; W63-L70 HydrophobicContact CH2-CD2 3.6Å; W63-L70 HydrophobicContact CZ2-CD2 4.2Å; W63-L70 HydrophobicContact CZ3-CB 4.2Å; W63-L70 HydrophobicContact CZ3-CD2 3.38Å; W63-L70 HydrophobicContact CZ3-CG 4.41Å; W63-G319 PolarHBondContact NE1-O 3.42Å; W63-T321 HydrophobicContact CD2-CG2 3.67Å; W63-T321 HydrophobicContact CE3-CG2 3.86Å; W63-T321 HydrophobicContact CG-CG2 4.24Å; W63-T321 HydrophobicContact CH2-CG2 3.83Å; W63-T321 HydrophobicContact CZ2-CG2 3.63Å; W63-T321 HydrophobicContact CZ3-CG2 3.94Å; W63-C328 HydrophobicContact CZ2-CB 3.54Å; W63-I338 HydrophobicContact CH2-CD1 4.03Å
64	A	98.4	Very high	98.5	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	17%	0.169	C	C	.	.			trans	-79.5	159.3	161.8	0	0	0	0	0	109.9	D66 S67 N69 Y105	A64-D66 PolarHBondContact O-N 3.39Å; A64-D66 VanDerWaalsContact O-N 3.15Å; A64-S67 PolarHBondContact O-N 3.29Å; A64-S67 VanDerWaalsContact O-N 3.13Å; A64-N69 HydrophobicContact CB-CB 3.97Å; A64-N69 VanDerWaalsContact CB-O 3.31Å; A64-N69 WeakPolarHBondContact CB-O 3.31Å; A64-N69 PolarHBondContact N-O 3.11Å; A64-Y105 HydrophobicContact CB-CD1 4.05Å; A64-Y105 HydrophobicContact CB-CD2 3.82Å; A64-Y105 HydrophobicContact CB-CE1 4.15Å; A64-Y105 HydrophobicContact CB-CE2 3.87Å; A64-Y105 HydrophobicContact CB-CG 3.91Å
65	T	97.9	Very high	98.4	Very high	72 Å²	72	34.8 Å²	34.8	44%	0.442	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.8	179.2	48.5	0	0	0	0	113.5	S67 P107	T65-S67 PolarHBondContact O-N 3.4Å; T65-P107 HydrophobicContact CG2-CB 4.12Å; T65-P107 PolarHBondContact OG1-O 2.62Å
66	D	97.8	Very high	98.4	Very high	80 Å²	80	30 Å²	30	43%	0.428	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-1.5	175.8	71.3	6.3	0	0	0	114.3	A64 R68 N69	A64-D66 PolarHBondContact O-N 3.39Å; A64-D66 VanDerWaalsContact O-N 3.15Å; D66-R68 PolarHBondContact O-N 3.37Å; D66-R68 VanDerWaalsContact O-N 3.08Å; D66-R68 PolarHBondContact OD1-N 3.24Å; D66-N69 PolarHBondContact OD1-N 3.1Å; D66-N69 PolarHBondContact OD2-ND2 2.77Å
67	S	98	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	56.8	20.4	-178.7	-59.7	0	0	0	0	114.5	A64 T65 E322 D323	A64-S67 PolarHBondContact O-N 3.29Å; A64-S67 VanDerWaalsContact O-N 3.13Å; T65-S67 PolarHBondContact O-N 3.4Å; S67-E322 PolarHBondContact OG-N 3.27Å; S67-D323 VanDerWaalsContact CB-CG 3.48Å; S67-D323 WeakPolarHBondContact CB-OD2 3.49Å; S67-D323 PolarHBondContact OG-N 3.18Å
68	R	98.2	Very high	98.3	Very high	99 Å²	99	28.8 Å²	28.8	37%	0.374	14%	0.142	S	C	.	.	S	Bend	trans	-129.4	-51.2	-177.7	177.3	-178.7	176.1	-176.4	-3.8	111.7	D66 D83 S84 Y85	D66-R68 PolarHBondContact O-N 3.37Å; D66-R68 VanDerWaalsContact O-N 3.08Å; D66-R68 PolarHBondContact OD1-N 3.24Å; R68-D83 WeakPolarHBondContact CG-OD1 3.47Å; R68-D83 IonicContact CZ-OD1 3.5Å; R68-D83 IonicContact CZ-OD2 3.48Å; R68-D83 IonicContact NE-OD1 3.58Å; R68-D83 PolarHBondContact NE-OD1 3.47Å; R68-D83 IonicContact NE-OD2 2.81Å; R68-D83 PolarHBondContact NE-OD2 3.4Å; R68-D83 IonicContact NH2-OD1 2.72Å; R68-D83 IonicContact NH2-OD2 3.66Å; R68-D83 PolarHBondContact NH2-OD2 2.87Å; R68-S84 WeakPolarHBondContact O-CB 3.08Å; R68-S84 PolarHBondContact O-N 3.11Å; R68-S84 PolarHBondContact O-OG 3.26Å; R68-Y85 HydrophobicContact CG-CD1 4.27Å; R68-Y85 HydrophobicContact CG-CD2 4.31Å; R68-Y85 HydrophobicContact CG-CE1 4.48Å; R68-Y85 HydrophobicContact CG-CG 4.19Å
69	N	98.4	Very high	98.3	Very high	32 Å²	32	28.8 Å²	28.8	17%	0.171	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.1	179.1	-68.3	-52.5	0	0	0	110	A64 D66 W82 Y105	A64-N69 HydrophobicContact CB-CB 3.97Å; A64-N69 VanDerWaalsContact CB-O 3.31Å; A64-N69 WeakPolarHBondContact CB-O 3.31Å; A64-N69 PolarHBondContact N-O 3.11Å; D66-N69 PolarHBondContact OD1-N 3.1Å; D66-N69 PolarHBondContact OD2-ND2 2.77Å; N69-W82 VanDerWaalsContact CA-O 3.27Å; N69-W82 WeakPolarHBondContact CA-O 3.41Å; N69-W82 PolarHBondContact OD1-O 2.83Å; N69-Y105 HydrophobicContact CB-CE2 4.21Å
70	L	98.8	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.4	171	65.1	115.6	0	0	0	110.1	L51 M61 H62 W63 V81 W82 L336 I338	L51-L70 HydrophobicContact CD1-CD1 4.08Å; L51-L70 HydrophobicContact CD1-CD2 4.04Å; L51-L70 HydrophobicContact CD1-CG 4.48Å; M61-L70 HydrophobicContact CE-CB 4.13Å; M61-L70 HydrophobicContact CE-CD1 3.74Å; M61-L70 HydrophobicContact CE-CG 4.38Å; H62-L70 CarbonylContact O-C 3.58Å; H62-L70 VanDerWaalsContact O-CA 3.31Å; H62-L70 WeakPolarHBondContact O-CA 3.41Å; H62-L70 WeakPolarHBondContact O-CB 3.44Å; W63-L70 HydrophobicContact CD2-CB 4.1Å; W63-L70 HydrophobicContact CD2-CD2 4.39Å; W63-L70 HydrophobicContact CE3-CB 3.74Å; W63-L70 HydrophobicContact CE3-CD2 3.82Å; W63-L70 HydrophobicContact CE3-CG 4.43Å; W63-L70 HydrophobicContact CH2-CD2 3.6Å; W63-L70 HydrophobicContact CZ2-CD2 4.2Å; W63-L70 HydrophobicContact CZ3-CB 4.2Å; W63-L70 HydrophobicContact CZ3-CD2 3.38Å; W63-L70 HydrophobicContact CZ3-CG 4.41Å; L70-V81 CarbonylContact O-C 3.57Å; L70-V81 WeakPolarHBondContact O-CA 3.13Å; L70-W82 HydrophobicContact CD1-CG 4.36Å; L70-W82 HydrophobicContact CG-CB 4.17Å; L70-W82 HydrophobicContact CG-CG 4.48Å; L70-W82 PolarHBondContact N-O 3.24Å; L70-W82 VanDerWaalsContact N-O 3.11Å; L70-W82 PolarHBondContact O-N 3.32Å; L70-L336 HydrophobicContact CD1-CD2 3.83Å; L70-I338 HydrophobicContact CD2-CD1 4.44Å
71	V	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.9	172.4	65.2	0	0	0	0	109.5	M61 H62 L79 I80 V81 C103 Y105 V112	M61-V71 CarbonylContact C-O 3.54Å; M61-V71 WeakPolarHBondContact CA-O 3.16Å; H62-V71 HydrophobicContact CB-CG1 4.02Å; H62-V71 PolarHBondContact N-O 3.03Å; H62-V71 PolarHBondContact O-N 3.25Å; V71-L79 HydrophobicContact CG2-CD1 3.47Å; V71-L79 VanDerWaalsContact CG2-CD1 3.47Å; V71-L79 HydrophobicContact CG2-CD2 4.16Å; V71-L79 HydrophobicContact CG2-CG 3.56Å; V71-I80 CarbonylContact C-O 3.48Å; V71-I80 WeakPolarHBondContact CA-O 3.1Å; V71-V81 HydrophobicContact CB-CG2 4.41Å; V71-V81 HydrophobicContact CG2-CG2 4.18Å; V71-C103 HydrophobicContact CG1-CB 4.27Å; V71-Y105 HydrophobicContact CB-CD2 4.01Å; V71-Y105 HydrophobicContact CG1-CD2 4Å; V71-Y105 HydrophobicContact CG1-CG 4.48Å; V71-V112 HydrophobicContact CB-CG1 4.13Å; V71-V112 HydrophobicContact CG1-CG1 4.34Å; V71-V112 HydrophobicContact CG2-CB 4.37Å; V71-V112 HydrophobicContact CG2-CG1 4.13Å
72	S	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.2	171.3	65.8	0	0	0	0	111.9	H54 A60 L79 I80 W82	H54-S72 PolarHBondContact NE2-OG 3.05Å; A60-S72 WeakPolarHBondContact O-CA 3.22Å; S72-L79 CarbonylContact O-C 3.6Å; S72-L79 WeakPolarHBondContact O-CA 3.14Å; S72-I80 PolarHBondContact N-O 2.99Å; S72-I80 PolarHBondContact O-N 3.34Å; S72-W82 PolarHBondContact OG-NE1 3.04Å
73	A	98.7	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.3	-178.9	0	0	0	0	0	111.1	Y59 A60 L79 V100 C103	Y59-A73 PolarHBondContact N-O 3.48Å; A60-A73 PolarHBondContact O-N 3.49Å; A73-L79 HydrophobicContact CB-CD1 3.77Å; A73-V100 HydrophobicContact CB-CB 4.37Å; A73-V100 HydrophobicContact CB-CG1 3.74Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; A73-C103 HydrophobicContact CB-CB 3.9Å
74	S	98.6	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	-176.8	172.6	0	0	0	0	112.3	H54 A56 K57 D76 G77 K78 V100	H54-S74 WeakPolarHBondContact CE1-CB 3.48Å; H54-S74 WeakPolarHBondContact ND1-CB 3.34Å; A56-S74 PolarHBondContact O-OG 2.93Å; K57-S74 VanDerWaalsContact O-CA 3.28Å; K57-S74 WeakPolarHBondContact O-CA 3.27Å; K57-S74 WeakPolarHBondContact O-CB 3.48Å; K57-S74 PolarHBondContact O-OG 2.72Å; S74-D76 VanDerWaalsContact CB-OD1 3.28Å; S74-D76 WeakPolarHBondContact CB-OD1 3.45Å; S74-D76 PolarHBondContact O-N 2.91Å; S74-D76 VanDerWaalsContact O-N 3.08Å; S74-D76 PolarHBondContact OG-N 3.5Å; S74-D76 PolarHBondContact OG-OD1 2.76Å; S74-G77 PolarHBondContact O-N 3.31Å; S74-G77 VanDerWaalsContact O-N 3.11Å; S74-K78 PolarHBondContact N-O 3.05Å; S74-V100 WeakPolarHBondContact O-CG1 3.1Å
75	Q	97.5	Very high	98.1	Very high	39 Å²	39	29 Å²	29	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	0.5	176	-72.6	-173.4	-19.1	0	0	114.9	A56 K57 Y59 G77 S98 W99	A56-Q75 HydrophobicContact CB-CB 4.37Å; K57-Q75 PolarHBondContact O-N 3.25Å; Y59-Q75 HydrophobicContact CD2-CG 3.78Å; Y59-Q75 HydrophobicContact CE2-CG 3.68Å; Y59-Q75 PolarHBondContact OH-NE2 2.8Å; Y59-Q75 VanDerWaalsContact OH-NE2 3.08Å; Q75-G77 PolarHBondContact O-N 3.07Å; Q75-S98 VanDerWaalsContact CA-O 3.23Å; Q75-S98 WeakPolarHBondContact CA-O 3.34Å; Q75-W99 HydrophobicContact CG-CE3 4.48Å
76	D	97	Very high	98.1	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.8	166.6	67.9	2.9	0	0	0	112.9	H54 L55 A56 S74 K78	H54-D76 WeakPolarHBondContact CA-OD2 3.41Å; H54-D76 IonicContact CG-OD2 3.59Å; H54-D76 IonicContact ND1-OD1 3.04Å; H54-D76 PolarHBondContact ND1-OD1 3.42Å; H54-D76 IonicContact ND1-OD2 2.78Å; H54-D76 PolarHBondContact ND1-OD2 3.18Å; L55-D76 HydrophobicContact CB-CB 4.2Å; L55-D76 PolarHBondContact N-OD2 3.38Å; A56-D76 HydrophobicContact CB-CB 3.89Å; S74-D76 VanDerWaalsContact CB-OD1 3.28Å; S74-D76 WeakPolarHBondContact CB-OD1 3.45Å; S74-D76 PolarHBondContact O-N 2.91Å; S74-D76 VanDerWaalsContact O-N 3.08Å; S74-D76 PolarHBondContact OG-N 3.5Å; S74-D76 PolarHBondContact OG-OD1 2.76Å; D76-K78 VanDerWaalsContact OD1-CB 3.25Å; D76-K78 WeakPolarHBondContact OD1-CB 3.37Å; D76-K78 PolarHBondContact OD1-N 3.18Å
77	G	97	Very high	98.1	Very high	9 Å²	9	27.4 Å²	27.4	9%	0.093	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	27.9	-178.7	0	0	0	0	0	113	S74 Q75 L95	S74-G77 PolarHBondContact O-N 3.31Å; S74-G77 VanDerWaalsContact O-N 3.11Å; Q75-G77 PolarHBondContact O-N 3.07Å; G77-L95 WeakPolarHBondContact O-CB 3.37Å; G77-L95 PolarHBondContact O-N 3.39Å
78	K	97.8	Very high	98.1	Very high	71 Å²	71	31.7 Å²	31.7	31%	0.309	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.4	176.7	-59.8	178.5	-177	165.4	0	112.2	H54 S74 D76 I80 I93	H54-K78 PolarHBondContact CE1-O 3.32Å; S74-K78 PolarHBondContact N-O 3.05Å; D76-K78 VanDerWaalsContact OD1-CB 3.25Å; D76-K78 WeakPolarHBondContact OD1-CB 3.37Å; D76-K78 PolarHBondContact OD1-N 3.18Å; K78-I80 HydrophobicContact CB-CG1 4.2Å; K78-I93 WeakPolarHBondContact CA-O 3.12Å
79	L	98.1	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.5	164.2	-171.2	73.3	0	0	0	107.9	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 4.16Å; V71-L79 HydrophobicContact CG2-CG 3.56Å; S72-L79 CarbonylContact O-C 3.6Å; S72-L79 WeakPolarHBondContact O-CA 3.14Å; A73-L79 HydrophobicContact CB-CD1 3.77Å; L79-I93 HydrophobicContact CB-CB 4.22Å; L79-I93 HydrophobicContact CD2-CD1 4.19Å; L79-I93 PolarHBondContact N-O 3.37Å; L79-I93 PolarHBondContact O-N 3.35Å; L79-L95 HydrophobicContact CB-CD1 4.34Å; L79-L95 HydrophobicContact CB-CD2 3.88Å; L79-L95 HydrophobicContact CB-CG 4.27Å; L79-C103 HydrophobicContact CD1-CB 3.55Å; L79-V112 HydrophobicContact CD2-CB 4.24Å; L79-V112 HydrophobicContact CD2-CG2 3.66Å; L79-C114 HydrophobicContact CD1-CB 4.15Å; L79-C114 HydrophobicContact CD2-CB 4.19Å; L79-Y124 HydrophobicContact CD2-CD2 4.26Å; L79-Y124 HydrophobicContact CD2-CE2 4.44Å
80	I	98.3	Very high	97.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	-176	-56.9	178.2	0	0	0	109.3	V71 S72 K78 W82 K89 H91 A92	V71-I80 CarbonylContact C-O 3.48Å; V71-I80 WeakPolarHBondContact CA-O 3.1Å; S72-I80 PolarHBondContact N-O 2.99Å; S72-I80 PolarHBondContact O-N 3.34Å; K78-I80 HydrophobicContact CB-CG1 4.2Å; I80-W82 HydrophobicContact CB-CD2 4.48Å; I80-W82 HydrophobicContact CB-CZ2 3.73Å; I80-W82 HydrophobicContact CD1-CH2 4.03Å; I80-W82 HydrophobicContact CD1-CZ2 3.68Å; I80-W82 HydrophobicContact CG1-CZ2 4.29Å; I80-W82 HydrophobicContact CG2-CD2 3.63Å; I80-W82 HydrophobicContact CG2-CE3 4.14Å; I80-W82 HydrophobicContact CG2-CG 4.14Å; I80-W82 HydrophobicContact CG2-CH2 4.02Å; I80-W82 HydrophobicContact CG2-CZ2 3.48Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.48Å; I80-W82 HydrophobicContact CG2-CZ3 4.32Å; I80-W82 VanDerWaalsContact O-CD1 3.3Å; I80-W82 PolarHBondContact O-NE1 3.11Å; I80-K89 HydrophobicContact CD1-CD 4.49Å; I80-K89 HydrophobicContact CG2-CB 4.1Å; I80-K89 HydrophobicContact CG2-CD 4.14Å; I80-K89 HydrophobicContact CG2-CG 3.84Å; I80-H91 WeakPolarHBondContact CA-O 3.27Å; I80-H91 WeakPolarHBondContact CG2-O 3.42Å; I80-A92 HydrophobicContact CG1-CB 4.41Å
81	V	98.2	Very high	97.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.3	169.3	-178.4	0	0	0	0	108.2	L70 V71 K89 V90 H91 Y105 V112 L126	L70-V81 CarbonylContact O-C 3.57Å; L70-V81 WeakPolarHBondContact O-CA 3.13Å; V71-V81 HydrophobicContact CB-CG2 4.41Å; V71-V81 HydrophobicContact CG2-CG2 4.18Å; V81-K89 CarbonylContact O-C 3.54Å; V81-V90 HydrophobicContact CB-CB 4.43Å; V81-V90 HydrophobicContact CG1-CB 4.16Å; V81-V90 PolarHBondContact O-N 3.35Å; V81-H91 HydrophobicContact CB-CB 4.11Å; V81-H91 HydrophobicContact CG2-CB 4.22Å; V81-H91 PolarHBondContact N-O 2.81Å; V81-H91 PolarHBondContact O-N 3.17Å; V81-Y105 HydrophobicContact CG1-CE2 3.99Å; V81-V112 HydrophobicContact CG2-CG1 4.28Å; V81-L126 HydrophobicContact CG2-CD1 4.34Å; V81-L126 HydrophobicContact CG2-CD2 4.13Å
82	W	98.7	Very high	97.6	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.2	-174	-47	81.8	0	0	0	111.3	L51 H54 N69 L70 S72 I80 N88 K89 L336	L51-W82 HydrophobicContact CB-CD2 4.21Å; L51-W82 HydrophobicContact CB-CE3 3.92Å; L51-W82 HydrophobicContact CB-CH2 4.28Å; L51-W82 HydrophobicContact CB-CZ3 3.95Å; L51-W82 HydrophobicContact CD1-CB 4.02Å; L51-W82 HydrophobicContact CD1-CD2 4.01Å; L51-W82 HydrophobicContact CD1-CE3 4.33Å; L51-W82 HydrophobicContact CD1-CG 3.88Å; L51-W82 HydrophobicContact CD2-CE3 4.47Å; L51-W82 HydrophobicContact CG-CE3 4.47Å; H54-W82 AromaticContact CD2-CZ2 3.99Å; N69-W82 VanDerWaalsContact CA-O 3.27Å; N69-W82 WeakPolarHBondContact CA-O 3.41Å; N69-W82 PolarHBondContact OD1-O 2.83Å; L70-W82 HydrophobicContact CD1-CG 4.36Å; L70-W82 HydrophobicContact CG-CB 4.17Å; L70-W82 HydrophobicContact CG-CG 4.48Å; L70-W82 PolarHBondContact N-O 3.24Å; L70-W82 VanDerWaalsContact N-O 3.11Å; L70-W82 PolarHBondContact O-N 3.32Å; S72-W82 PolarHBondContact OG-NE1 3.04Å; I80-W82 HydrophobicContact CB-CD2 4.48Å; I80-W82 HydrophobicContact CB-CZ2 3.73Å; I80-W82 HydrophobicContact CD1-CH2 4.03Å; I80-W82 HydrophobicContact CD1-CZ2 3.68Å; I80-W82 HydrophobicContact CG1-CZ2 4.29Å; I80-W82 HydrophobicContact CG2-CD2 3.63Å; I80-W82 HydrophobicContact CG2-CE3 4.14Å; I80-W82 HydrophobicContact CG2-CG 4.14Å; I80-W82 HydrophobicContact CG2-CH2 4.02Å; I80-W82 HydrophobicContact CG2-CZ2 3.48Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.48Å; I80-W82 HydrophobicContact CG2-CZ3 4.32Å; I80-W82 VanDerWaalsContact O-CD1 3.3Å; I80-W82 PolarHBondContact O-NE1 3.11Å; W82-N88 WeakPolarHBondContact CA-O 3.22Å; W82-K89 HydrophobicContact CE3-CG 3.79Å; W82-K89 HydrophobicContact CH2-CD 4.45Å; W82-K89 HydrophobicContact CH2-CG 4.26Å; W82-K89 HydrophobicContact CZ3-CD 4.2Å; W82-K89 HydrophobicContact CZ3-CG 3.61Å; W82-L336 HydrophobicContact CZ2-CD1 4.14Å
83	D	98.2	Very high	97.5	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.9	159.4	173.7	2.8	0	0	0	108.5	R68 Y85 T86 T87 N88 V90	R68-D83 WeakPolarHBondContact CG-OD1 3.47Å; R68-D83 IonicContact CZ-OD1 3.5Å; R68-D83 IonicContact CZ-OD2 3.48Å; R68-D83 IonicContact NE-OD1 3.58Å; R68-D83 PolarHBondContact NE-OD1 3.47Å; R68-D83 IonicContact NE-OD2 2.81Å; R68-D83 PolarHBondContact NE-OD2 3.4Å; R68-D83 IonicContact NH2-OD1 2.72Å; R68-D83 IonicContact NH2-OD2 3.66Å; R68-D83 PolarHBondContact NH2-OD2 2.87Å; D83-Y85 PolarHBondContact O-N 3.22Å; D83-Y85 PolarHBondContact OD1-N 3.3Å; D83-T86 WeakPolarHBondContact CB-OG1 3.4Å; D83-T86 PolarHBondContact O-N 3.18Å; D83-T86 VanDerWaalsContact OD2-CG2 3.3Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.39Å; D83-T86 PolarHBondContact OD2-OG1 3.44Å; D83-T87 VanDerWaalsContact O-CA 3.3Å; D83-T87 WeakPolarHBondContact O-CA 3.48Å; D83-T87 PolarHBondContact O-N 2.99Å; D83-N88 PolarHBondContact N-O 2.92Å; D83-V90 HydrophobicContact CB-CG2 4.08Å
84	S	98	Very high	97.3	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.035	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.9	-177.4	59.1	0	0	0	0	113.9	R68	R68-S84 WeakPolarHBondContact O-CB 3.08Å; R68-S84 PolarHBondContact O-N 3.11Å; R68-S84 PolarHBondContact O-OG 3.26Å
85	Y	97.6	Very high	97.2	Very high	137 Å²	137	45.6 Å²	45.6	54%	0.537	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-44.7	-174.4	-73.1	6.5	0	0	0	111	R49 R68 D83	R49-Y85 PolarHBondContact NE-O 2.75Å; R49-Y85 VanDerWaalsContact NE-O 3.17Å; R49-Y85 PolarHBondContact NH2-O 3.47Å; R68-Y85 HydrophobicContact CG-CD1 4.27Å; R68-Y85 HydrophobicContact CG-CD2 4.31Å; R68-Y85 HydrophobicContact CG-CE1 4.48Å; R68-Y85 HydrophobicContact CG-CG 4.19Å; D83-Y85 PolarHBondContact O-N 3.22Å; D83-Y85 PolarHBondContact OD1-N 3.3Å
86	T	97.8	Very high	96.9	Very high	61 Å²	61	52.9 Å²	52.9	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-13.2	-175.7	64.5	0	0	0	0	113.5	D83 N88	D83-T86 WeakPolarHBondContact CB-OG1 3.4Å; D83-T86 PolarHBondContact O-N 3.18Å; D83-T86 VanDerWaalsContact OD2-CG2 3.3Å; 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 3.47Å; T86-N88 PolarHBondContact OG1-N 2.93Å; T86-N88 PolarHBondContact OG1-ND2 3.08Å
87	T	98.1	Very high	96.7	Very high	58 Å²	58	52.2 Å²	52.2	36%	0.356	27%	0.272	S	S	.	.			trans	64.2	10.8	-172.1	72.3	0	0	0	0	114.9	R49 L51 D83	R49-T87 HydrophobicContact CB-CG2 4.16Å; R49-T87 HydrophobicContact CG-CG2 4.25Å; L51-T87 HydrophobicContact CD2-CG2 3.91Å; D83-T87 VanDerWaalsContact O-CA 3.3Å; D83-T87 WeakPolarHBondContact O-CA 3.48Å; D83-T87 PolarHBondContact O-N 2.99Å
88	N	97.9	Very high	96.5	Very high	101 Å²	101	54.3 Å²	54.3	54%	0.54	28%	0.284	S	S	.	.			trans	-74.8	146.6	178.3	-70.5	-28.3	0	0	0	111.1	W82 D83 T86	W82-N88 WeakPolarHBondContact CA-O 3.22Å; D83-N88 PolarHBondContact N-O 2.92Å; T86-N88 PolarHBondContact O-N 2.82Å; T86-N88 WeakPolarHBondContact OG1-CB 3.47Å; T86-N88 PolarHBondContact OG1-N 2.93Å; T86-N88 PolarHBondContact OG1-ND2 3.08Å
89	K	97	Very high	96.4	Very high	103 Å²	103	57.3 Å²	57.3	45%	0.448	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.9	169.3	-58	176.4	-175.6	68.7	0	107.3	R52 I80 V81 W82	R52-K89 WeakPolarHBondContact O-CE 3.34Å; R52-K89 PolarHBondContact O-NZ 3.5Å; I80-K89 HydrophobicContact CD1-CD 4.49Å; I80-K89 HydrophobicContact CG2-CB 4.1Å; I80-K89 HydrophobicContact CG2-CD 4.14Å; I80-K89 HydrophobicContact CG2-CG 3.84Å; V81-K89 CarbonylContact O-C 3.54Å; W82-K89 HydrophobicContact CE3-CG 3.79Å; W82-K89 HydrophobicContact CH2-CD 4.45Å; W82-K89 HydrophobicContact CH2-CG 4.26Å; W82-K89 HydrophobicContact CZ3-CD 4.2Å; W82-K89 HydrophobicContact CZ3-CG 3.61Å
90	V	95.4	Very high	96.3	Very high	71 Å²	71	57.5 Å²	57.5	43%	0.43	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-44.4	175.4	-173.2	0	0	0	0	109.3	V81 D83	V81-V90 HydrophobicContact CB-CB 4.43Å; V81-V90 HydrophobicContact CG1-CB 4.16Å; V81-V90 PolarHBondContact O-N 3.35Å; D83-V90 HydrophobicContact CB-CG2 4.08Å
91	H	95.2	Very high	96.3	Very high	49 Å²	49	59.4 Å²	59.4	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	174.9	-59.5	-70.8	0	0	0	110.8	I80 V81 I93 V133	I80-H91 WeakPolarHBondContact CA-O 3.27Å; I80-H91 WeakPolarHBondContact CG2-O 3.42Å; V81-H91 HydrophobicContact CB-CB 4.11Å; V81-H91 HydrophobicContact CG2-CB 4.22Å; V81-H91 PolarHBondContact N-O 2.81Å; V81-H91 PolarHBondContact O-N 3.17Å; H91-I93 HydrophobicContact CB-CG1 4.37Å; H91-V133 HydrophobicContact CB-CG2 4.4Å; H91-V133 WeakPolarHBondContact ND1-CG2 2.89Å
92	A	95.7	Very high	96.4	Very high	64 Å²	64	59.5 Å²	59.5	53%	0.529	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	100.4	168.4	0	0	0	0	0	108.1	I80	I80-A92 HydrophobicContact CG1-CB 4.41Å
93	I	96.2	Very high	96.4	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.7	-171.9	-56.2	163.4	0	0	0	108.1	K78 L79 H91 V112 Y124 L126 V133	K78-I93 WeakPolarHBondContact CA-O 3.12Å; L79-I93 HydrophobicContact CB-CB 4.22Å; L79-I93 HydrophobicContact CD2-CD1 4.19Å; L79-I93 PolarHBondContact N-O 3.37Å; L79-I93 PolarHBondContact O-N 3.35Å; H91-I93 HydrophobicContact CB-CG1 4.37Å; I93-V112 HydrophobicContact CD1-CG2 3.85Å; I93-Y124 HydrophobicContact CD1-CG 4.36Å; I93-Y124 HydrophobicContact CG2-CD1 3.57Å; I93-Y124 HydrophobicContact CG2-CE1 3.42Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.42Å; I93-Y124 HydrophobicContact CG2-CG 4.28Å; I93-L126 HydrophobicContact CD1-CD2 4.2Å; I93-V133 HydrophobicContact CD1-CB 4.38Å; I93-V133 HydrophobicContact CD1-CG1 3.6Å; I93-V133 HydrophobicContact CG1-CB 4.07Å; I93-V133 HydrophobicContact CG1-CG1 3.75Å
94	P	96	Very high	96.4	Very high	106 Å²	106	59 Å²	59	69%	0.688	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.1	171.9	30	-32.5	0	0	0	110.1
95	L	95.8	Very high	96.4	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.126	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-92.3	151.1	177.9	-57.3	-177.8	0	0	0	110.4	G77 L79 S97 V100 C114 Y124	G77-L95 WeakPolarHBondContact O-CB 3.37Å; G77-L95 PolarHBondContact O-N 3.39Å; L79-L95 HydrophobicContact CB-CD1 4.34Å; L79-L95 HydrophobicContact CB-CD2 3.88Å; L79-L95 HydrophobicContact CB-CG 4.27Å; L95-S97 WeakPolarHBondContact CB-O 3.26Å; L95-V100 HydrophobicContact CD1-CB 3.89Å; L95-V100 HydrophobicContact CD1-CG1 4.12Å; L95-V100 HydrophobicContact CD1-CG2 4.04Å; L95-C114 WeakPolarHBondContact CD2-SG 3.29Å; L95-Y124 HydrophobicContact CD2-CE2 4.18Å; L95-Y124 VanDerWaalsContact CD2-OH 3.31Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.48Å
96	R	90.8	Very high	96.5	Very high	191 Å²	191	53 Å²	53	72%	0.721	28%	0.278	S	S	*	.	S	Bend	trans	-72.1	-40.8	173.6	-69.2	-175.6	-177.9	167.9	10.2	111.6	E138	R96-E138 IonicContact CZ-OE1 3.32Å; R96-E138 IonicContact CZ-OE2 3.51Å; R96-E138 IonicContact NE-OE1 3.72Å; R96-E138 VanDerWaalsContact NH1-CD 3.29Å; R96-E138 IonicContact NH1-OE1 2.7Å; R96-E138 PolarHBondContact NH1-OE1 2.98Å; R96-E138 IonicContact NH1-OE2 2.83Å; R96-E138 PolarHBondContact NH1-OE2 3.29Å; R96-E138 IonicContact NH2-OE1 3.63Å
97	S	92.4	Very high	96.5	Very high	25 Å²	25	52.4 Å²	52.4	18%	0.175	28%	0.275	C	S	.	.			trans	-100.7	132.2	174.4	-176.6	0	0	0	0	110.1	L95 W99 D118	L95-S97 WeakPolarHBondContact CB-O 3.26Å; S97-W99 VanDerWaalsContact C-N 3.3Å; S97-W99 PolarHBondContact OG-N 3.16Å; S97-D118 VanDerWaalsContact CB-OD2 3.26Å; S97-D118 WeakPolarHBondContact CB-OD2 3.27Å
98	S	93.4	Very high	96.4	Very high	52 Å²	52	52.3 Å²	52.3	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-73.7	-24.6	173	55.1	0	0	0	0	112.2	Q75 V100	Q75-S98 VanDerWaalsContact CA-O 3.23Å; Q75-S98 WeakPolarHBondContact CA-O 3.34Å; S98-V100 VanDerWaalsContact C-N 3.26Å; S98-V100 PolarHBondContact O-N 2.87Å
99	W	95.4	Very high	96.4	Very high	134 Å²	134	48.7 Å²	48.7	51%	0.508	26%	0.264	S	S	.	.			trans	-88.7	57.4	-171	-61.2	102.1	0	0	0	112.6	Q75 S97 G116 L117	Q75-W99 HydrophobicContact CG-CE3 4.48Å; S97-W99 VanDerWaalsContact C-N 3.3Å; S97-W99 PolarHBondContact OG-N 3.16Å; W99-G116 WeakPolarHBondContact O-CA 3.25Å; W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.64Å; W99-L117 HydrophobicContact CB-CG 3.71Å; W99-L117 HydrophobicContact CD2-CD1 4.03Å; W99-L117 HydrophobicContact CE3-CD1 4.25Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.39Å; W99-L117 PolarHBondContact O-N 3.33Å
100	V	97.3	Very high	96.3	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.3	176.3	67.8	0	0	0	0	111	A73 S74 L95 S98 T102 C114 G115	A73-V100 HydrophobicContact CB-CB 4.37Å; A73-V100 HydrophobicContact CB-CG1 3.74Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; S74-V100 WeakPolarHBondContact O-CG1 3.1Å; L95-V100 HydrophobicContact CD1-CB 3.89Å; L95-V100 HydrophobicContact CD1-CG1 4.12Å; L95-V100 HydrophobicContact CD1-CG2 4.04Å; S98-V100 VanDerWaalsContact C-N 3.26Å; S98-V100 PolarHBondContact O-N 2.87Å; V100-T102 WeakPolarHBondContact CG2-O 3.16Å; V100-C114 HydrophobicContact CG2-CB 3.87Å; V100-G115 WeakPolarHBondContact CG2-O 3.37Å
101	M	98.4	Very high	96.4	Very high	42 Å²	42	44.3 Å²	44.3	21%	0.207	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-28.6	179.4	-65.2	179.4	66.5	0	0	112.2	Y59 G115 L117 Y145 L146	Y59-M101 HydrophobicContact CD1-CG 4.48Å; M101-G115 PolarHBondContact N-O 3.49Å; M101-L117 HydrophobicContact SD-CD2 3.89Å; M101-L117 HydrophobicContact SD-CG 4.47Å; M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.7Å; M101-Y145 HydrophobicContact CE-CG 4.44Å; M101-Y145 HydrophobicContact SD-CD2 3.62Å; M101-Y145 HydrophobicContact SD-CE2 4.32Å; M101-Y145 HydrophobicContact SD-CG 4.02Å; M101-L146 WeakPolarHBondContact CB-O 3.38Å
102	T	98.7	Very high	96.6	Very high	4 Å²	4	42 Å²	42	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.6	-178.9	-178.7	0	0	0	0	112.6	V100 C114 G115 L146 S147 C148 C149	V100-T102 WeakPolarHBondContact CG2-O 3.16Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.43Å; T102-C114 WeakPolarHBondContact O-CB 3.39Å; T102-G115 PolarHBondContact N-O 2.91Å; T102-G115 VanDerWaalsContact N-O 3.09Å; T102-G115 PolarHBondContact O-N 2.74Å; T102-L146 HydrophobicContact CG2-CD2 3.8Å; T102-L146 HydrophobicContact CG2-CG 4.16Å; T102-S147 WeakPolarHBondContact CB-O 3.44Å; T102-C148 WeakPolarHBondContact OG1-CA 3.47Å; T102-C149 HydrophobicContact CG2-CB 4.39Å; T102-C149 PolarHBondContact OG1-N 2.98Å; T102-C149 VanDerWaalsContact OG1-N 3.16Å; T102-C149 PolarHBondContact OG1-SG 3.4Å
103	C	98.7	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.7	159.8	60.2	0	0	0	0	111.4	A60 V71 A73 L79 A113 C114	A60-C103 VanDerWaalsContact C-SG 3.6Å; V71-C103 HydrophobicContact CG1-CB 4.27Å; A73-C103 HydrophobicContact CB-CB 3.9Å; L79-C103 HydrophobicContact CD1-CB 3.55Å; C103-A113 CarbonylContact C-O 3.59Å; C103-A113 WeakPolarHBondContact CA-O 3.43Å; C103-A113 WeakPolarHBondContact CB-O 3.13Å; C103-C114 HydrophobicContact CB-CB 4.48Å
104	A	98.9	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.8	175	0	0	0	0	0	111.2	V112 A113 C149 F151	A104-V112 CarbonylContact O-C 3.51Å; A104-V112 WeakPolarHBondContact O-CA 3.48Å; A104-V112 WeakPolarHBondContact O-CB 3.38Å; A104-A113 HydrophobicContact CB-CB 4.29Å; A104-A113 PolarHBondContact N-O 2.76Å; A104-A113 PolarHBondContact O-N 3.01Å; A104-C149 WeakPolarHBondContact CB-O 3.32Å; A104-F151 HydrophobicContact CB-CD2 3.83Å; A104-F151 HydrophobicContact CB-CE2 3.95Å
105	Y	98.6	Very high	96.9	Very high	17 Å²	17	33.9 Å²	33.9	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	172.6	-147.3	-50.7	0	0	0	107.8	H62 A64 N69 V71 V81 V112 L126	H62-Y105 WeakPolarHBondContact ND1-CB 3.05Å; H62-Y105 PolarHBondContact ND1-N 2.88Å; A64-Y105 HydrophobicContact CB-CD1 4.05Å; A64-Y105 HydrophobicContact CB-CD2 3.82Å; A64-Y105 HydrophobicContact CB-CE1 4.15Å; A64-Y105 HydrophobicContact CB-CE2 3.87Å; A64-Y105 HydrophobicContact CB-CG 3.91Å; N69-Y105 HydrophobicContact CB-CE2 4.21Å; V71-Y105 HydrophobicContact CB-CD2 4.01Å; V71-Y105 HydrophobicContact CG1-CD2 4Å; V71-Y105 HydrophobicContact CG1-CG 4.48Å; V81-Y105 HydrophobicContact CG1-CE2 3.99Å; Y105-V112 HydrophobicContact CD1-CG1 4.21Å; Y105-V112 HydrophobicContact CD2-CG1 4.03Å; Y105-V112 HydrophobicContact CE1-CG1 4.3Å; Y105-V112 HydrophobicContact CE2-CG1 4.2Å; Y105-V112 HydrophobicContact CG-CG1 4.04Å; Y105-L126 HydrophobicContact CE1-CD1 3.9Å; Y105-L126 HydrophobicContact CE2-CD1 4.45Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.39Å
106	A	98.5	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	-65.7	140.9	177.5	0	0	0	0	0	111.2	S108 G109 Y111 F151	A106-S108 PolarHBondContact O-N 3.35Å; A106-G109 PolarHBondContact O-N 3.25Å; A106-Y111 WeakPolarHBondContact CB-O 3.18Å; A106-Y111 PolarHBondContact N-O 3.4Å; A106-F151 HydrophobicContact CB-CB 4.29Å; A106-F151 HydrophobicContact CB-CD1 4.1Å; A106-F151 HydrophobicContact CB-CD2 3.86Å; A106-F151 HydrophobicContact CB-CE1 4.32Å; A106-F151 HydrophobicContact CB-CE2 4.11Å; A106-F151 HydrophobicContact CB-CG 3.84Å; A106-F151 HydrophobicContact CB-CZ 4.32Å
107	P	98.1	Very high	97.3	Very high	48 Å²	48	28 Å²	28	31%	0.312	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.7	-178.8	-28.6	34.5	0	0	0	114.8	T65 G109	T65-P107 HydrophobicContact CG2-CB 4.12Å; T65-P107 PolarHBondContact OG1-O 2.62Å; P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.11Å
108	S	97.2	Very high	97.5	Very high	56 Å²	56	29.2 Å²	29.2	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.1	178	68.9	0	0	0	0	114.5	A106 N110 D154	A106-S108 PolarHBondContact O-N 3.35Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 WeakPolarHBondContact CB-ND2 3.29Å; S108-N110 VanDerWaalsContact OG-CB 3.28Å; S108-N110 WeakPolarHBondContact OG-CB 3.33Å; S108-N110 VanDerWaalsContact OG-CG 3.3Å; S108-N110 PolarHBondContact OG-N 2.9Å; S108-N110 PolarHBondContact OG-ND2 2.95Å; S108-D154 WeakPolarHBondContact CB-OD1 3.41Å; S108-D154 WeakPolarHBondContact CB-OD2 3.4Å; S108-D154 PolarHBondContact OG-OD1 3.17Å; S108-D154 PolarHBondContact OG-OD2 2.94Å; S108-D154 VanDerWaalsContact OG-OD2 3.14Å
109	G	96.4	Very high	97.7	Very high	26 Å²	26	29 Å²	29	27%	0.268	15%	0.153	S	C	.	.	S	Bend	trans	82.4	-2.9	-169.3	0	0	0	0	0	114.8	A106 P107	A106-G109 PolarHBondContact O-N 3.25Å; P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.11Å
110	N	95.7	Very high	97.9	Very high	27 Å²	27	24.8 Å²	24.8	14%	0.144	14%	0.14	C	C	.	.	S	Bend	trans	-87.5	-27.5	-168.3	-61.9	-32.7	0	0	0	114.5	S108 L126 K127 D154	S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 WeakPolarHBondContact CB-ND2 3.29Å; S108-N110 VanDerWaalsContact OG-CB 3.28Å; S108-N110 WeakPolarHBondContact OG-CB 3.33Å; S108-N110 VanDerWaalsContact OG-CG 3.3Å; S108-N110 PolarHBondContact OG-N 2.9Å; S108-N110 PolarHBondContact OG-ND2 2.95Å; N110-L126 PolarHBondContact O-N 3.34Å; N110-K127 WeakPolarHBondContact OD1-CD 3.29Å; N110-K127 WeakPolarHBondContact OD1-CE 3.36Å; N110-K127 PolarHBondContact OD1-NZ 3.05Å; N110-D154 PolarHBondContact ND2-OD2 2.63Å
111	Y	97.7	Very high	97.9	Very high	54 Å²	54	24.7 Å²	24.7	21%	0.212	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.5	-172.9	-60	-84.3	0	0	0	112	A106 I123 Y124 D154	A106-Y111 WeakPolarHBondContact CB-O 3.18Å; A106-Y111 PolarHBondContact N-O 3.4Å; Y111-I123 HydrophobicContact CD1-CG2 3.9Å; Y111-I123 HydrophobicContact CG-CG2 4.3Å; Y111-Y124 VanDerWaalsContact CA-O 3.23Å; Y111-Y124 WeakPolarHBondContact CA-O 3.3Å; Y111-Y124 WeakPolarHBondContact CD1-O 3.22Å; Y111-D154 HydrophobicContact CD2-CB 4.1Å; Y111-D154 HydrophobicContact CE2-CB 3.82Å
112	V	98.4	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.2	162.9	-66.3	0	0	0	0	109.3	V71 L79 V81 I93 A104 Y105 Y124 L126	V71-V112 HydrophobicContact CB-CG1 4.13Å; V71-V112 HydrophobicContact CG1-CG1 4.34Å; V71-V112 HydrophobicContact CG2-CB 4.37Å; V71-V112 HydrophobicContact CG2-CG1 4.13Å; L79-V112 HydrophobicContact CD2-CB 4.24Å; L79-V112 HydrophobicContact CD2-CG2 3.66Å; V81-V112 HydrophobicContact CG2-CG1 4.28Å; I93-V112 HydrophobicContact CD1-CG2 3.85Å; A104-V112 CarbonylContact O-C 3.51Å; A104-V112 WeakPolarHBondContact O-CA 3.48Å; A104-V112 WeakPolarHBondContact O-CB 3.38Å; Y105-V112 HydrophobicContact CD1-CG1 4.21Å; Y105-V112 HydrophobicContact CD2-CG1 4.03Å; Y105-V112 HydrophobicContact CE1-CG1 4.3Å; Y105-V112 HydrophobicContact CE2-CG1 4.2Å; Y105-V112 HydrophobicContact CG-CG1 4.04Å; V112-Y124 HydrophobicContact CG2-CD2 4.48Å; V112-Y124 PolarHBondContact N-O 2.88Å; V112-Y124 PolarHBondContact O-N 3.48Å; V112-L126 HydrophobicContact CG1-CD1 3.88Å; V112-L126 HydrophobicContact CG1-CD2 4.41Å; V112-L126 HydrophobicContact CG1-CG 4.32Å; V112-L126 HydrophobicContact CG2-CD2 3.92Å; V112-L126 HydrophobicContact CG2-CG 4.44Å
113	A	98.6	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156	175.2	0	0	0	0	0	110.7	C103 A104 S122 I123 F151 I157	C103-A113 CarbonylContact C-O 3.59Å; C103-A113 WeakPolarHBondContact CA-O 3.43Å; C103-A113 WeakPolarHBondContact CB-O 3.13Å; A104-A113 HydrophobicContact CB-CB 4.29Å; A104-A113 PolarHBondContact N-O 2.76Å; A104-A113 PolarHBondContact O-N 3.01Å; A113-S122 CarbonylContact C-O 3.51Å; A113-S122 VanDerWaalsContact CA-O 3.23Å; A113-S122 WeakPolarHBondContact CA-O 3.36Å; A113-I123 HydrophobicContact CB-CD1 3.54Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.6Å; A113-I157 HydrophobicContact CB-CD1 3.71Å
114	C	98.5	Very high	97.8	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.034	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.7	164.8	70.4	0	0	0	0	111.7	L79 L95 V100 T102 C103 C121 S122	L79-C114 HydrophobicContact CD1-CB 4.15Å; L79-C114 HydrophobicContact CD2-CB 4.19Å; L95-C114 WeakPolarHBondContact CD2-SG 3.29Å; V100-C114 HydrophobicContact CG2-CB 3.87Å; T102-C114 VanDerWaalsContact O-CA 3.23Å; T102-C114 WeakPolarHBondContact O-CA 3.43Å; T102-C114 WeakPolarHBondContact O-CB 3.39Å; C103-C114 HydrophobicContact CB-CB 4.48Å; C114-C121 WeakPolarHBondContact O-CA 3.34Å; C114-S122 PolarHBondContact N-O 2.85Å; C114-S122 PolarHBondContact O-N 3.01Å
115	G	98	Very high	97.6	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	172.9	169.5	0	0	0	0	0	111.5	V100 M101 T102 I120	V100-G115 WeakPolarHBondContact CG2-O 3.37Å; M101-G115 PolarHBondContact N-O 3.49Å; T102-G115 PolarHBondContact N-O 2.91Å; T102-G115 VanDerWaalsContact N-O 3.09Å; T102-G115 PolarHBondContact O-N 2.74Å; G115-I120 VanDerWaalsContact CA-O 3.29Å; G115-I120 WeakPolarHBondContact CA-O 3.33Å
116	G	98	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	-126.4	176.9	0	0	0	0	0	112.2	W99 D118 N119 Y145 L146	W99-G116 WeakPolarHBondContact O-CA 3.25Å; G116-D118 PolarHBondContact N-OD1 2.92Å; G116-D118 PolarHBondContact O-N 3.2Å; G116-D118 VanDerWaalsContact O-N 3.09Å; G116-N119 PolarHBondContact O-N 3.08Å; G116-N119 VanDerWaalsContact O-N 3.1Å; G116-Y145 CarbonylContact O-C 3.56Å; G116-Y145 WeakPolarHBondContact O-CA 3.45Å; G116-L146 PolarHBondContact O-N 2.79Å
117	L	97.3	Very high	96.7	Very high	91 Å²	91	31.4 Å²	31.4	48%	0.476	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.8	-175.3	-59.6	-174.4	0	0	0	114.9	W99 M101 N119 Y145	W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.64Å; W99-L117 HydrophobicContact CB-CG 3.71Å; W99-L117 HydrophobicContact CD2-CD1 4.03Å; W99-L117 HydrophobicContact CE3-CD1 4.25Å; W99-L117 HydrophobicContact CG-CD1 3.78Å; W99-L117 HydrophobicContact CG-CG 4.39Å; W99-L117 PolarHBondContact O-N 3.33Å; M101-L117 HydrophobicContact SD-CD2 3.89Å; M101-L117 HydrophobicContact SD-CG 4.47Å; L117-N119 VanDerWaalsContact C-N 3.29Å; L117-N119 PolarHBondContact O-OD1 3.13Å; L117-Y145 HydrophobicContact CD2-CD1 4.43Å; L117-Y145 HydrophobicContact CD2-CG 4.18Å
118	D	96.8	Very high	95.4	Very high	50 Å²	50	31.3 Å²	31.3	27%	0.267	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.2	172.1	57.9	-6.2	0	0	0	113.1	S97 G116 I120	S97-D118 VanDerWaalsContact CB-OD2 3.26Å; S97-D118 WeakPolarHBondContact CB-OD2 3.27Å; G116-D118 PolarHBondContact N-OD1 2.92Å; G116-D118 PolarHBondContact O-N 3.2Å; G116-D118 VanDerWaalsContact O-N 3.09Å; D118-I120 WeakPolarHBondContact O-CG1 3.25Å; D118-I120 PolarHBondContact O-N 2.97Å; D118-I120 VanDerWaalsContact O-N 3.1Å
119	N	97.7	Very high	93.9	Very high	48 Å²	48	41 Å²	41	26%	0.257	20%	0.199	S	C	.	.			trans	61	14.3	178.7	-52.6	-3.5	0	0	0	114.1	G116 L117 T143 G144 Y145	G116-N119 PolarHBondContact O-N 3.08Å; G116-N119 VanDerWaalsContact O-N 3.1Å; L117-N119 VanDerWaalsContact C-N 3.29Å; L117-N119 PolarHBondContact O-OD1 3.13Å; N119-T143 PolarHBondContact ND2-O 2.96Å; N119-G144 VanDerWaalsContact CB-O 3.25Å; N119-G144 WeakPolarHBondContact CB-O 3.42Å; N119-G144 PolarHBondContact OD1-O 2.69Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.4Å; N119-Y145 PolarHBondContact OD1-N 3.19Å
120	I	97.7	Very high	92.5	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.236	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.9	-174.6	-67.4	165.4	0	0	0	109.3	G115 D118 E138 P140	G115-I120 VanDerWaalsContact CA-O 3.29Å; G115-I120 WeakPolarHBondContact CA-O 3.33Å; D118-I120 WeakPolarHBondContact O-CG1 3.25Å; D118-I120 PolarHBondContact O-N 2.97Å; D118-I120 VanDerWaalsContact O-N 3.1Å; I120-E138 HydrophobicContact CG2-CB 3.84Å; I120-E138 HydrophobicContact CG2-CG 4.32Å; I120-P140 HydrophobicContact CG1-CB 4.5Å
121	C	98.1	Very high	91.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.9	164.6	-165.7	0	0	0	0	109.6	C114 L139 L146 T159	C114-C121 WeakPolarHBondContact O-CA 3.34Å; C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.2Å; C121-L139 PolarHBondContact N-O 2.88Å; C121-L139 PolarHBondContact O-N 2.93Å; C121-L146 HydrophobicContact CB-CD2 3.57Å; C121-T159 HydrophobicContact CB-CG2 4.12Å
122	S	98.1	Very high	90.6	Very high	7 Å²	7	50.6 Å²	50.6	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.8	178	-64	0	0	0	0	110.4	A113 C114	A113-S122 CarbonylContact C-O 3.51Å; A113-S122 VanDerWaalsContact CA-O 3.23Å; A113-S122 WeakPolarHBondContact CA-O 3.36Å; C114-S122 PolarHBondContact N-O 2.85Å; C114-S122 PolarHBondContact O-N 3.01Å
123	I	97.8	Very high	90.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.5	179	-49.7	-58.6	0	0	0	109.3	Y111 A113 S136 R137 L139 F151 I157 I171	Y111-I123 HydrophobicContact CD1-CG2 3.9Å; Y111-I123 HydrophobicContact CG-CG2 4.3Å; A113-I123 HydrophobicContact CB-CD1 3.54Å; I123-S136 WeakPolarHBondContact O-CB 3.33Å; I123-S136 PolarHBondContact O-N 2.86Å; I123-R137 HydrophobicContact CB-CB 4.27Å; I123-R137 HydrophobicContact CG1-CB 4.38Å; I123-R137 PolarHBondContact N-O 2.79Å; I123-R137 PolarHBondContact O-N 3.15Å; I123-L139 HydrophobicContact CD1-CD1 4.45Å; I123-L139 HydrophobicContact CG1-CD1 4.37Å; I123-F151 HydrophobicContact CD1-CE1 4Å; I123-F151 HydrophobicContact CD1-CZ 3.85Å; I123-F151 HydrophobicContact CG2-CE1 4.24Å; I123-F151 HydrophobicContact CG2-CZ 4.17Å; I123-I157 HydrophobicContact CD1-CD1 3.79Å; I123-I171 HydrophobicContact CG1-CG2 4.32Å; I123-I171 HydrophobicContact CG2-CG2 4.4Å
124	Y	97	Very high	89.5	Confident	8 Å²	8	59.5 Å²	59.5	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.6	-178.9	-60.9	-97	0	0	0	110.3	L79 I93 L95 Y111 V112 V133 V135	L79-Y124 HydrophobicContact CD2-CD2 4.26Å; L79-Y124 HydrophobicContact CD2-CE2 4.44Å; I93-Y124 HydrophobicContact CD1-CG 4.36Å; I93-Y124 HydrophobicContact CG2-CD1 3.57Å; I93-Y124 HydrophobicContact CG2-CE1 3.42Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.42Å; I93-Y124 HydrophobicContact CG2-CG 4.28Å; L95-Y124 HydrophobicContact CD2-CE2 4.18Å; L95-Y124 VanDerWaalsContact CD2-OH 3.31Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.48Å; Y111-Y124 VanDerWaalsContact CA-O 3.23Å; Y111-Y124 WeakPolarHBondContact CA-O 3.3Å; Y111-Y124 WeakPolarHBondContact CD1-O 3.22Å; V112-Y124 HydrophobicContact CG2-CD2 4.48Å; V112-Y124 PolarHBondContact N-O 2.88Å; V112-Y124 PolarHBondContact O-N 3.48Å; Y124-V133 HydrophobicContact CD1-CG1 4.23Å; Y124-V135 HydrophobicContact CD1-CG2 3.98Å; Y124-V135 HydrophobicContact CE1-CB 4.32Å; Y124-V135 HydrophobicContact CE1-CG2 3.35Å
125	S	95.3	Very high	89.1	Confident	25 Å²	25	61.6 Å²	61.6	18%	0.175	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.8	172.5	-170.2	0	0	0	0	110.2	K127 T128 V133 R134	S125-K127 VanDerWaalsContact C-N 3.34Å; S125-K127 PolarHBondContact OG-O 3.03Å; S125-T128 WeakPolarHBondContact O-CG2 3.14Å; S125-V133 WeakPolarHBondContact O-CG1 3.36Å; S125-R134 PolarHBondContact N-O 2.87Å
126	L	93.7	Very high	88.8	Confident	17 Å²	17	64.3 Å²	64.3	9%	0.089	32%	0.323	C	S	.	.	S	Bend	trans	-78.8	-22.4	173.9	-60.3	-175.2	0	0	0	111.8	V81 I93 Y105 N110 V112 T128 V133	V81-L126 HydrophobicContact CG2-CD1 4.34Å; V81-L126 HydrophobicContact CG2-CD2 4.13Å; I93-L126 HydrophobicContact CD1-CD2 4.2Å; Y105-L126 HydrophobicContact CE1-CD1 3.9Å; Y105-L126 HydrophobicContact CE2-CD1 4.45Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.39Å; N110-L126 PolarHBondContact O-N 3.34Å; V112-L126 HydrophobicContact CG1-CD1 3.88Å; V112-L126 HydrophobicContact CG1-CD2 4.41Å; V112-L126 HydrophobicContact CG1-CG 4.32Å; V112-L126 HydrophobicContact CG2-CD2 3.92Å; V112-L126 HydrophobicContact CG2-CG 4.44Å; L126-T128 PolarHBondContact O-N 2.92Å; L126-T128 VanDerWaalsContact O-N 3.17Å; L126-V133 HydrophobicContact CD2-CG1 4.42Å; L126-V133 HydrophobicContact CD2-CG2 4.31Å
127	K	85.2	Confident	88.6	Confident	149 Å²	149	68.7 Å²	68.7	65%	0.648	34%	0.34	S	S	*	.			trans	-81.1	92.9	173.9	-75.9	-177.2	168.5	162.8	0	110.1	N110 S125	N110-K127 WeakPolarHBondContact OD1-CD 3.29Å; N110-K127 WeakPolarHBondContact OD1-CE 3.36Å; N110-K127 PolarHBondContact OD1-NZ 3.05Å; S125-K127 VanDerWaalsContact C-N 3.34Å; S125-K127 PolarHBondContact OG-O 3.03Å
128	T	70	Confident	88.6	Confident	45 Å²	45	67.2 Å²	67.2	28%	0.276	33%	0.331	S	S	.	.			trans	-119.4	129.4	173.1	66.7	0	0	0	0	111.1	S125 L126 E130 G131 N132	S125-T128 WeakPolarHBondContact O-CG2 3.14Å; L126-T128 PolarHBondContact O-N 2.92Å; L126-T128 VanDerWaalsContact O-N 3.17Å; T128-E130 PolarHBondContact O-N 2.9Å; T128-G131 PolarHBondContact OG1-N 3.27Å; T128-N132 WeakPolarHBondContact CG2-O 3.39Å
129	R	65.9	Low	88.6	Confident	261 Å²	261	65 Å²	65	99%	0.985	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.4	172.6	-69.3	-176.3	177.5	-174.5	-0.1	111.9
130	E	66.5	Low	88.3	Confident	140 Å²	140	66.7 Å²	66.7	65%	0.654	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	6.5	-172.2	-61.1	179.1	-178.4	0	0	113.3	T128 N132 R134	T128-E130 PolarHBondContact O-N 2.9Å; E130-N132 PolarHBondContact O-N 2.54Å; E130-R134 IonicContact OE2-CZ 3.69Å; E130-R134 IonicContact OE2-NH2 3.7Å; E130-R134 PolarHBondContact OE2-NH2 2.88Å
131	G	71.4	Confident	87.9	Confident	53 Å²	53	66.7 Å²	66.7	55%	0.546	34%	0.344	S	S	.	.	S	Bend	trans	75.2	-23.7	177.8	0	0	0	0	0	115.8	T128	T128-G131 PolarHBondContact OG1-N 3.27Å
132	N	81.8	Confident	87.8	Confident	115 Å²	115	67.3 Å²	67.3	62%	0.615	35%	0.347	S	S	*	.			trans	-92.2	115.1	178.7	-70.9	-21.5	0	0	0	111.5	T128 E130 R134	T128-N132 WeakPolarHBondContact CG2-O 3.39Å; E130-N132 PolarHBondContact O-N 2.54Å; N132-R134 PolarHBondContact O-N 3.18Å
133	V	88.8	Confident	87.8	Confident	30 Å²	30	72.7 Å²	72.7	18%	0.182	38%	0.379	C	S	.	.			trans	-63.5	125.9	171.7	176.5	0	0	0	0	109.8	H91 I93 Y124 S125 L126	H91-V133 HydrophobicContact CB-CG2 4.4Å; H91-V133 WeakPolarHBondContact ND1-CG2 2.89Å; I93-V133 HydrophobicContact CD1-CB 4.38Å; I93-V133 HydrophobicContact CD1-CG1 3.6Å; I93-V133 HydrophobicContact CG1-CB 4.07Å; I93-V133 HydrophobicContact CG1-CG1 3.75Å; Y124-V133 HydrophobicContact CD1-CG1 4.23Å; S125-V133 WeakPolarHBondContact O-CG1 3.36Å; L126-V133 HydrophobicContact CD2-CG1 4.42Å; L126-V133 HydrophobicContact CD2-CG2 4.31Å
134	R	86.9	Confident	87.8	Confident	156 Å²	156	73.3 Å²	73.3	59%	0.589	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.1	177.7	-63.4	-174.3	-169.9	176.9	11.6	110.5	S125 E130 N132 S136	S125-R134 PolarHBondContact N-O 2.87Å; E130-R134 IonicContact OE2-CZ 3.69Å; E130-R134 IonicContact OE2-NH2 3.7Å; E130-R134 PolarHBondContact OE2-NH2 2.88Å; N132-R134 PolarHBondContact O-N 3.18Å; R134-S136 PolarHBondContact O-N 2.87Å
135	V	89.5	Confident	87.8	Confident	49 Å²	49	75.3 Å²	75.3	30%	0.297	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	121.3	168.2	-176.6	0	0	0	0	107.9	Y124 E138	Y124-V135 HydrophobicContact CD1-CG2 3.98Å; Y124-V135 HydrophobicContact CE1-CB 4.32Å; Y124-V135 HydrophobicContact CE1-CG2 3.35Å; V135-E138 HydrophobicContact CG1-CG 3.69Å
136	S	90.8	Very high	88	Confident	59 Å²	59	74.2 Å²	74.2	41%	0.413	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-43.8	174	-172.4	0	0	0	0	110.6	I123 R134	I123-S136 WeakPolarHBondContact O-CB 3.33Å; I123-S136 PolarHBondContact O-N 2.86Å; R134-S136 PolarHBondContact O-N 2.87Å
137	R	94.6	Very high	88.2	Confident	93 Å²	93	73.9 Å²	73.9	35%	0.351	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.2	-177.8	-166.7	63.7	58.2	157.4	4.9	111	I123 L139 I171 E172	I123-R137 HydrophobicContact CB-CB 4.27Å; I123-R137 HydrophobicContact CG1-CB 4.38Å; I123-R137 PolarHBondContact N-O 2.79Å; I123-R137 PolarHBondContact O-N 3.15Å; R137-L139 HydrophobicContact CG-CD2 3.69Å; R137-L139 HydrophobicContact CG-CG 4.44Å; R137-I171 HydrophobicContact CB-CG2 4.29Å; R137-I171 WeakPolarHBondContact CG-O 3.42Å; R137-I171 PolarHBondContact NE-O 3.14Å; R137-E172 PolarHBondContact NH1-O 2.83Å; R137-E172 PolarHBondContact NH2-O 3.4Å
138	E	96.4	Very high	88.9	Confident	60 Å²	60	67.1 Å²	67.1	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.8	164.8	-65.1	-179.3	160	0	0	106.9	R96 I120 V135 P140	R96-E138 IonicContact CZ-OE1 3.32Å; R96-E138 IonicContact CZ-OE2 3.51Å; R96-E138 IonicContact NE-OE1 3.72Å; R96-E138 VanDerWaalsContact NH1-CD 3.29Å; R96-E138 IonicContact NH1-OE1 2.7Å; R96-E138 PolarHBondContact NH1-OE1 2.98Å; R96-E138 IonicContact NH1-OE2 2.83Å; R96-E138 PolarHBondContact NH1-OE2 3.29Å; R96-E138 IonicContact NH2-OE1 3.63Å; I120-E138 HydrophobicContact CG2-CB 3.84Å; I120-E138 HydrophobicContact CG2-CG 4.32Å; V135-E138 HydrophobicContact CG1-CG 3.69Å; E138-P140 VanDerWaalsContact C-CD 3.47Å; E138-P140 WeakPolarHBondContact O-CD 3.31Å
139	L	97.2	Very high	90.2	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	88.1	-179.6	-55.1	176.6	0	0	0	108.8	C121 I123 R137 I157 W169	C121-L139 HydrophobicContact CB-CB 4.11Å; C121-L139 HydrophobicContact CB-CD1 4.2Å; C121-L139 PolarHBondContact N-O 2.88Å; C121-L139 PolarHBondContact O-N 2.93Å; I123-L139 HydrophobicContact CD1-CD1 4.45Å; I123-L139 HydrophobicContact CG1-CD1 4.37Å; R137-L139 HydrophobicContact CG-CD2 3.69Å; R137-L139 HydrophobicContact CG-CG 4.44Å; L139-I157 HydrophobicContact CD1-CG2 3.61Å; L139-W169 HydrophobicContact CB-CD2 4.2Å; L139-W169 HydrophobicContact CB-CE3 3.96Å; L139-W169 HydrophobicContact CB-CZ3 4.23Å; L139-W169 HydrophobicContact CD1-CB 3.82Å; L139-W169 HydrophobicContact CD1-CD2 4.17Å; L139-W169 HydrophobicContact CD1-CE3 4.48Å; L139-W169 HydrophobicContact CD1-CG 3.86Å; L139-W169 HydrophobicContact CD2-CE3 4.35Å; L139-W169 HydrophobicContact CG-CE3 4.5Å
140	P	92.5	Very high	91.8	Very high	84 Å²	84	55.4 Å²	55.4	55%	0.545	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134	173	33.3	-33.2	0	0	0	110	I120 E138	I120-P140 HydrophobicContact CG1-CB 4.5Å; E138-P140 VanDerWaalsContact C-CD 3.47Å; E138-P140 WeakPolarHBondContact O-CD 3.31Å
141	G	87.6	Confident	93.3	Very high	46 Å²	46	49 Å²	49	47%	0.474	28%	0.277	S	S	.	.			trans	169.6	-20.3	166.5	0	0	0	0	0	114.9
142	H	97	Very high	94.6	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.069	26%	0.256	C	S	.	.			trans	-66.6	145	165.8	-79.5	-59.1	0	0	0	111.4	T159 S161 D163 T165 W169	H142-T159 PolarHBondContact NE2-OG1 3.33Å; H142-S161 VanDerWaalsContact CE1-CB 3.41Å; H142-S161 WeakPolarHBondContact CE1-CB 3.38Å; H142-S161 VanDerWaalsContact CG-CB 3.46Å; H142-S161 WeakPolarHBondContact ND1-CB 3.5Å; H142-S161 PolarHBondContact ND1-OG 3.14Å; H142-D163 VanDerWaalsContact CA-OD2 3.27Å; H142-D163 WeakPolarHBondContact CA-OD2 3.48Å; H142-D163 WeakPolarHBondContact CB-OD2 3.28Å; H142-D163 IonicContact CE1-OD1 3.85Å; H142-D163 IonicContact CG-OD2 3.92Å; H142-D163 IonicContact ND1-OD1 2.97Å; H142-D163 PolarHBondContact ND1-OD1 3.34Å; H142-D163 IonicContact ND1-OD2 3.29Å; H142-D163 PolarHBondContact ND1-OD2 2.74Å; H142-T165 PolarHBondContact CE1-OG1 2.98Å; H142-T165 PolarHBondContact ND1-OG1 3.37Å; H142-W169 AromaticContact CD2-CZ2 3.95Å
143	T	97.8	Very high	95.4	Very high	120 Å²	120	45.6 Å²	45.6	74%	0.736	25%	0.246	S	C	*	.	S	Bend	trans	-100.9	-4.6	176.8	58.9	0	0	0	0	112.7	N119 D163	N119-T143 PolarHBondContact ND2-O 2.96Å; T143-D163 PolarHBondContact N-OD2 3.36Å; T143-D163 VanDerWaalsContact OG1-CB 3.29Å; T143-D163 WeakPolarHBondContact OG1-CB 3.12Å
144	G	97.7	Very high	95.8	Very high	13 Å²	13	46.6 Å²	46.6	13%	0.134	25%	0.25	C	S	.	.	S	Bend	trans	-124.8	175.8	173.8	0	0	0	0	0	111.7	N119 S161 D163	N119-G144 VanDerWaalsContact CB-O 3.25Å; N119-G144 WeakPolarHBondContact CB-O 3.42Å; N119-G144 PolarHBondContact OD1-O 2.69Å; G144-S161 PolarHBondContact O-OG 3.18Å; G144-D163 PolarHBondContact N-OD2 2.66Å
145	Y	98.2	Very high	96.4	Very high	50 Å²	50	41.6 Å²	41.6	20%	0.196	24%	0.236	C	C	.	.			trans	-63.2	146.3	-177.7	59.2	-98.9	0	0	0	111.7	M101 G116 L117 N119 S147 S161 G162 D186 M188	M101-Y145 HydrophobicContact CE-CD2 3.61Å; M101-Y145 HydrophobicContact CE-CE2 3.7Å; M101-Y145 HydrophobicContact CE-CG 4.44Å; M101-Y145 HydrophobicContact SD-CD2 3.62Å; M101-Y145 HydrophobicContact SD-CE2 4.32Å; M101-Y145 HydrophobicContact SD-CG 4.02Å; G116-Y145 CarbonylContact O-C 3.56Å; G116-Y145 WeakPolarHBondContact O-CA 3.45Å; L117-Y145 HydrophobicContact CD2-CD1 4.43Å; L117-Y145 HydrophobicContact CD2-CG 4.18Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.4Å; N119-Y145 PolarHBondContact OD1-N 3.19Å; Y145-S147 PolarHBondContact O-N 2.76Å; Y145-S161 CarbonylContact O-C 3.54Å; Y145-S161 WeakPolarHBondContact O-CA 3.28Å; Y145-S161 PolarHBondContact O-OG 2.87Å; Y145-G162 PolarHBondContact O-N 2.77Å; Y145-D186 WeakPolarHBondContact OH-CB 3.19Å; Y145-D186 PolarHBondContact OH-OD2 2.85Å; Y145-M188 HydrophobicContact CE2-SD 4.39Å; Y145-M188 PolarHBondContact OH-SD 3.13Å; Y145-M188 VanDerWaalsContact OH-SD 3.39Å
146	L	98.6	Very high	96.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113	175.6	-157.2	77.8	0	0	0	110.1	M101 T102 G116 C121 C149 T159	M101-L146 WeakPolarHBondContact CB-O 3.38Å; T102-L146 HydrophobicContact CG2-CD2 3.8Å; T102-L146 HydrophobicContact CG2-CG 4.16Å; G116-L146 PolarHBondContact O-N 2.79Å; C121-L146 HydrophobicContact CB-CD2 3.57Å; L146-C149 HydrophobicContact CD2-CB 4.49Å; L146-T159 HydrophobicContact CD1-CG2 3.9Å; L146-T159 HydrophobicContact CD2-CG2 4.44Å
147	S	98.5	Very high	97.2	Very high	11 Å²	11	39.4 Å²	39.4	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-38.7	-175	61.1	0	0	0	0	113.5	T102 Y145 S160 V187 M188	T102-S147 WeakPolarHBondContact CB-O 3.44Å; Y145-S147 PolarHBondContact O-N 2.76Å; S147-S160 PolarHBondContact N-O 3.23Å; S147-S160 VanDerWaalsContact OG-C 3.27Å; S147-S160 WeakPolarHBondContact OG-CB 3.28Å; S147-S160 PolarHBondContact OG-O 3.31Å; S147-S160 VanDerWaalsContact OG-O 3.08Å; S147-S160 PolarHBondContact OG-OG 2.89Å; S147-V187 WeakPolarHBondContact CB-O 3.08Å; S147-V187 PolarHBondContact OG-O 2.91Å; S147-M188 WeakPolarHBondContact CB-O 3.25Å
148	C	98.8	Very high	97.4	Very high	7 Å²	7	35 Å²	35	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155	178.8	-166.4	0	0	0	0	111.1	T102 R150 T159 S160 L190	T102-C148 WeakPolarHBondContact OG1-CA 3.47Å; C148-R150 PolarHBondContact SG-NH1 3.34Å; C148-T159 WeakPolarHBondContact O-CA 3.38Å; C148-S160 VanDerWaalsContact CB-OG 3.23Å; C148-S160 WeakPolarHBondContact CB-OG 3.47Å; C148-S160 PolarHBondContact N-OG 3.12Å; C148-S160 PolarHBondContact O-N 3.12Å; C148-L190 HydrophobicContact CB-CG 4.23Å
149	C	98.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.3	172.2	63.7	0	0	0	0	111.5	T102 A104 L146 I157 V158 T159	T102-C149 HydrophobicContact CG2-CB 4.39Å; T102-C149 PolarHBondContact OG1-N 2.98Å; T102-C149 VanDerWaalsContact OG1-N 3.16Å; T102-C149 PolarHBondContact OG1-SG 3.4Å; A104-C149 WeakPolarHBondContact CB-O 3.32Å; L146-C149 HydrophobicContact CD2-CB 4.49Å; C149-I157 HydrophobicContact CB-CD1 4.01Å; C149-I157 HydrophobicContact CB-CG1 4.4Å; C149-V158 CarbonylContact C-O 3.58Å; C149-V158 VanDerWaalsContact CA-O 3.23Å; C149-V158 WeakPolarHBondContact CA-O 3.49Å; C149-T159 HydrophobicContact CB-CG2 4.01Å
150	R	98.9	Very high	97.6	Very high	59 Å²	59	32 Å²	32	22%	0.223	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	130.4	175.8	-67	-64.9	-179.1	-91.2	-1.5	110.9	C148 I157 V158 L190 L192	C148-R150 PolarHBondContact SG-NH1 3.34Å; R150-I157 WeakPolarHBondContact O-CG1 3.35Å; R150-V158 PolarHBondContact N-O 2.91Å; R150-V158 PolarHBondContact O-N 3.16Å; R150-L190 HydrophobicContact CB-CD1 3.83Å; R150-L190 HydrophobicContact CG-CD1 3.57Å; R150-L192 HydrophobicContact CB-CD1 3.6Å; R150-L192 HydrophobicContact CB-CG 3.86Å
151	F	98.8	Very high	97.9	Very high	7 Å²	7	28 Å²	28	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137	174.2	-69.7	-87.6	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 3.95Å; A106-F151 HydrophobicContact CB-CB 4.29Å; A106-F151 HydrophobicContact CB-CD1 4.1Å; A106-F151 HydrophobicContact CB-CD2 3.86Å; A106-F151 HydrophobicContact CB-CE1 4.32Å; A106-F151 HydrophobicContact CB-CE2 4.11Å; A106-F151 HydrophobicContact CB-CG 3.84Å; A106-F151 HydrophobicContact CB-CZ 4.32Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.6Å; I123-F151 HydrophobicContact CD1-CE1 4Å; I123-F151 HydrophobicContact CD1-CZ 3.85Å; I123-F151 HydrophobicContact CG2-CE1 4.24Å; I123-F151 HydrophobicContact CG2-CZ 4.17Å; F151-D153 WeakPolarHBondContact CD1-O 3.49Å; F151-I157 HydrophobicContact CD1-CB 4.14Å; F151-I157 HydrophobicContact CD1-CD1 4.12Å; F151-I157 HydrophobicContact CD1-CG1 4.3Å; F151-I157 HydrophobicContact CD2-CD1 4.24Å; F151-I157 HydrophobicContact CE1-CD1 4.02Å; F151-I157 HydrophobicContact CE2-CD1 4.14Å; F151-I157 HydrophobicContact CG-CD1 4.25Å; F151-I157 HydrophobicContact CG-CG1 4.39Å; F151-I157 HydrophobicContact CZ-CD1 4.04Å; F151-I171 HydrophobicContact CD1-CD1 3.89Å; F151-I171 HydrophobicContact CE1-CD1 3.68Å; F151-L192 VanDerWaalsContact O-CD1 3.29Å; F151-L192 WeakPolarHBondContact O-CD1 3.39Å
152	L	98.5	Very high	98.4	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.11	14%	0.142	C	C	.	.	S	Bend	trans	-82.6	-44.4	162	-69.2	167.8	0	0	0	109.5	Q156 V158 L168 L192 M196 I213	L152-Q156 HydrophobicContact CB-CB 4.08Å; L152-Q156 HydrophobicContact CD1-CB 4.1Å; L152-Q156 PolarHBondContact N-O 2.79Å; L152-V158 HydrophobicContact CD1-CG2 4.1Å; L152-V158 HydrophobicContact CG-CG2 4.27Å; L152-L168 HydrophobicContact CD1-CD1 3.59Å; L152-L192 HydrophobicContact CD2-CD1 3.83Å; L152-L192 HydrophobicContact CD2-CD2 3.77Å; L152-L192 HydrophobicContact CD2-CG 4.4Å; L152-L192 HydrophobicContact CG-CD1 4.4Å; L152-M196 HydrophobicContact CD2-CB 3.88Å; L152-M196 HydrophobicContact CD2-SD 4.18Å; L152-I213 HydrophobicContact CD1-CD1 4.2Å; L152-I213 HydrophobicContact CD1-CG2 4.03Å; L152-I213 HydrophobicContact CD2-CD1 3.71Å
153	D	98.2	Very high	98.5	Very high	75 Å²	75	27.2 Å²	27.2	40%	0.401	15%	0.147	S	C	.	.	S	Bend	trans	-154.3	-163.7	175.7	59.5	38.2	0	0	0	109.9	F151 N155 Q156	F151-D153 WeakPolarHBondContact CD1-O 3.49Å; D153-N155 PolarHBondContact O-N 2.74Å; D153-N155 WeakPolarHBondContact OD1-CA 3.37Å; D153-N155 PolarHBondContact OD1-N 3.18Å; D153-Q156 PolarHBondContact N-O 3.31Å; D153-Q156 PolarHBondContact OD1-N 2.85Å
154	D	97.7	Very high	98.5	Very high	50 Å²	50	25.4 Å²	25.4	27%	0.267	13%	0.131	S	C	.	.	S	Bend	trans	-73.3	-13.7	-179.9	-79.9	0.3	0	0	0	113.9	S108 N110 Y111	S108-D154 WeakPolarHBondContact CB-OD1 3.41Å; S108-D154 WeakPolarHBondContact CB-OD2 3.4Å; S108-D154 PolarHBondContact OG-OD1 3.17Å; S108-D154 PolarHBondContact OG-OD2 2.94Å; S108-D154 VanDerWaalsContact OG-OD2 3.14Å; N110-D154 PolarHBondContact ND2-OD2 2.63Å; Y111-D154 HydrophobicContact CD2-CB 4.1Å; Y111-D154 HydrophobicContact CE2-CB 3.82Å
155	N	97.9	Very high	98.6	Very high	52 Å²	52	26.3 Å²	26.3	28%	0.278	13%	0.134	S	C	.	.	S	Bend	trans	-112.7	-16.2	-178.3	-160.9	52.8	0	0	0	113.7	D153 D170 I171 E172	D153-N155 PolarHBondContact O-N 2.74Å; D153-N155 WeakPolarHBondContact OD1-CA 3.37Å; D153-N155 PolarHBondContact OD1-N 3.18Å; N155-D170 PolarHBondContact ND2-OD2 3.07Å; N155-D170 WeakPolarHBondContact O-CA 3.49Å; N155-I171 WeakPolarHBondContact O-CB 3.2Å; N155-I171 WeakPolarHBondContact O-CG1 3.39Å; N155-I171 PolarHBondContact O-N 3.5Å; N155-E172 WeakPolarHBondContact OD1-CB 3.29Å; N155-E172 PolarHBondContact OD1-N 2.88Å
156	Q	98.5	Very high	98.6	Very high	62 Å²	62	24 Å²	24	29%	0.29	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.8	-178.5	-67.6	-171.3	-20.1	0	0	113.1	L152 D153 L168 W169	L152-Q156 HydrophobicContact CB-CB 4.08Å; L152-Q156 HydrophobicContact CD1-CB 4.1Å; L152-Q156 PolarHBondContact N-O 2.79Å; D153-Q156 PolarHBondContact N-O 3.31Å; D153-Q156 PolarHBondContact OD1-N 2.85Å; Q156-L168 HydrophobicContact CB-CD1 4.24Å; Q156-W169 WeakPolarHBondContact CA-O 3.1Å
157	I	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.8	176	-170.1	169.1	0	0	0	110.3	A113 I123 L139 C149 R150 F151 W169 I171	A113-I157 HydrophobicContact CB-CD1 3.71Å; I123-I157 HydrophobicContact CD1-CD1 3.79Å; L139-I157 HydrophobicContact CD1-CG2 3.61Å; C149-I157 HydrophobicContact CB-CD1 4.01Å; C149-I157 HydrophobicContact CB-CG1 4.4Å; R150-I157 WeakPolarHBondContact O-CG1 3.35Å; F151-I157 HydrophobicContact CD1-CB 4.14Å; F151-I157 HydrophobicContact CD1-CD1 4.12Å; F151-I157 HydrophobicContact CD1-CG1 4.3Å; F151-I157 HydrophobicContact CD2-CD1 4.24Å; F151-I157 HydrophobicContact CE1-CD1 4.02Å; F151-I157 HydrophobicContact CE2-CD1 4.14Å; F151-I157 HydrophobicContact CG-CD1 4.25Å; F151-I157 HydrophobicContact CG-CG1 4.39Å; F151-I157 HydrophobicContact CZ-CD1 4.04Å; I157-W169 HydrophobicContact CG2-CB 3.86Å; I157-W169 HydrophobicContact CG2-CG 4.29Å; I157-W169 PolarHBondContact N-O 2.77Å; I157-W169 PolarHBondContact O-N 2.99Å; I157-I171 HydrophobicContact CB-CD1 4.16Å; I157-I171 HydrophobicContact CG2-CD1 4.1Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å
158	V	98.8	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.6	171.6	-173.4	0	0	0	0	109	C149 R150 L152 A167 L168 L190 L192 F199	C149-V158 CarbonylContact C-O 3.58Å; C149-V158 VanDerWaalsContact CA-O 3.23Å; C149-V158 WeakPolarHBondContact CA-O 3.49Å; R150-V158 PolarHBondContact N-O 2.91Å; R150-V158 PolarHBondContact O-N 3.16Å; L152-V158 HydrophobicContact CD1-CG2 4.1Å; L152-V158 HydrophobicContact CG-CG2 4.27Å; V158-A167 CarbonylContact C-O 3.52Å; V158-A167 VanDerWaalsContact CA-O 3.28Å; V158-A167 WeakPolarHBondContact CA-O 3.18Å; V158-L168 HydrophobicContact CG2-CD1 3.91Å; V158-L190 HydrophobicContact CB-CD2 4.48Å; V158-L190 HydrophobicContact CG1-CD2 3.88Å; V158-L192 HydrophobicContact CB-CD2 4.49Å; V158-L192 HydrophobicContact CG2-CD2 4.09Å; V158-F199 HydrophobicContact CG1-CD1 4.35Å; V158-F199 HydrophobicContact CG1-CE1 4.17Å; V158-F199 HydrophobicContact CG1-CE2 4.4Å; V158-F199 HydrophobicContact CG1-CZ 4.2Å
159	T	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.5	176.7	58.3	0	0	0	0	111.7	C121 H142 L146 C148 C149 C166 A167 W169	C121-T159 HydrophobicContact CB-CG2 4.12Å; H142-T159 PolarHBondContact NE2-OG1 3.33Å; L146-T159 HydrophobicContact CD1-CG2 3.9Å; L146-T159 HydrophobicContact CD2-CG2 4.44Å; C148-T159 WeakPolarHBondContact O-CA 3.38Å; C149-T159 HydrophobicContact CB-CG2 4.01Å; T159-C166 CarbonylContact O-C 3.55Å; T159-C166 WeakPolarHBondContact O-CA 3.37Å; T159-C166 WeakPolarHBondContact O-CB 3.26Å; T159-A167 PolarHBondContact N-O 2.97Å; T159-A167 PolarHBondContact O-N 3.4Å; T159-W169 PolarHBondContact OG1-NE1 2.93Å
160	S	98.8	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.6	165.8	56.7	0	0	0	0	110.5	S147 C148	S147-S160 PolarHBondContact N-O 3.23Å; S147-S160 VanDerWaalsContact OG-C 3.27Å; S147-S160 WeakPolarHBondContact OG-CB 3.28Å; S147-S160 PolarHBondContact OG-O 3.31Å; S147-S160 VanDerWaalsContact OG-O 3.08Å; S147-S160 PolarHBondContact OG-OG 2.89Å; C148-S160 VanDerWaalsContact CB-OG 3.23Å; C148-S160 WeakPolarHBondContact CB-OG 3.47Å; C148-S160 PolarHBondContact N-OG 3.12Å; C148-S160 PolarHBondContact O-N 3.12Å
161	S	98.8	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.5	-171.6	174.1	0	0	0	0	113.4	H142 G144 Y145 D163 M164 T165 V187	H142-S161 VanDerWaalsContact CE1-CB 3.41Å; H142-S161 WeakPolarHBondContact CE1-CB 3.38Å; H142-S161 VanDerWaalsContact CG-CB 3.46Å; H142-S161 WeakPolarHBondContact ND1-CB 3.5Å; H142-S161 PolarHBondContact ND1-OG 3.14Å; G144-S161 PolarHBondContact O-OG 3.18Å; Y145-S161 CarbonylContact O-C 3.54Å; Y145-S161 WeakPolarHBondContact O-CA 3.28Å; Y145-S161 PolarHBondContact O-OG 2.87Å; S161-D163 VanDerWaalsContact CB-OD1 3.23Å; S161-D163 WeakPolarHBondContact CB-OD1 3.41Å; S161-D163 PolarHBondContact O-N 3.39Å; S161-D163 PolarHBondContact OG-N 3.49Å; S161-D163 VanDerWaalsContact OG-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 3.08Å; S161-D163 VanDerWaalsContact OG-OD1 3.12Å; S161-D163 PolarHBondContact OG-OD2 2.96Å; S161-M164 PolarHBondContact O-N 2.94Å; S161-T165 PolarHBondContact N-O 2.52Å; S161-V187 PolarHBondContact O-N 3.37Å; S161-V187 VanDerWaalsContact O-N 3.14Å
162	G	98.6	Very high	98.4	Very high	11 Å²	11	29 Å²	29	11%	0.113	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.4	168	0	0	0	0	0	114.2	Y145 M164	Y145-G162 PolarHBondContact O-N 2.77Å; G162-M164 PolarHBondContact O-N 2.9Å
163	D	98.5	Very high	98.3	Very high	33 Å²	33	31.7 Å²	31.7	18%	0.176	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	16.3	168.6	62.7	26.6	0	0	0	113.9	H142 T143 G144 S161 T165	H142-D163 VanDerWaalsContact CA-OD2 3.27Å; H142-D163 WeakPolarHBondContact CA-OD2 3.48Å; H142-D163 WeakPolarHBondContact CB-OD2 3.28Å; H142-D163 IonicContact CE1-OD1 3.85Å; H142-D163 IonicContact CG-OD2 3.92Å; H142-D163 IonicContact ND1-OD1 2.97Å; H142-D163 PolarHBondContact ND1-OD1 3.34Å; H142-D163 IonicContact ND1-OD2 3.29Å; H142-D163 PolarHBondContact ND1-OD2 2.74Å; T143-D163 PolarHBondContact N-OD2 3.36Å; T143-D163 VanDerWaalsContact OG1-CB 3.29Å; T143-D163 WeakPolarHBondContact OG1-CB 3.12Å; G144-D163 PolarHBondContact N-OD2 2.66Å; S161-D163 VanDerWaalsContact CB-OD1 3.23Å; S161-D163 WeakPolarHBondContact CB-OD1 3.41Å; S161-D163 PolarHBondContact O-N 3.39Å; S161-D163 PolarHBondContact OG-N 3.49Å; S161-D163 VanDerWaalsContact OG-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 3.08Å; S161-D163 VanDerWaalsContact OG-OD1 3.12Å; S161-D163 PolarHBondContact OG-OD2 2.96Å; D163-T165 PolarHBondContact O-N 3Å; D163-T165 WeakPolarHBondContact OD1-CB 3.44Å; D163-T165 PolarHBondContact OD1-N 3.27Å; D163-T165 VanDerWaalsContact OD1-N 3.12Å; D163-T165 PolarHBondContact OD1-OG1 2.88Å
164	M	98.7	Very high	98.2	Very high	82 Å²	82	28.6 Å²	28.6	40%	0.404	15%	0.154	S	C	.	.	S	Bend	trans	69.6	12.8	178.5	-43.7	171	-177.6	0	0	114.2	S161 G162	S161-M164 PolarHBondContact O-N 2.94Å; G162-M164 PolarHBondContact O-N 2.9Å
165	T	98.7	Very high	98.2	Very high	32 Å²	32	32.3 Å²	32.3	20%	0.196	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	156.1	-179.6	75	0	0	0	0	113.2	H142 S161 D163 T181	H142-T165 PolarHBondContact CE1-OG1 2.98Å; H142-T165 PolarHBondContact ND1-OG1 3.37Å; S161-T165 PolarHBondContact N-O 2.52Å; D163-T165 PolarHBondContact O-N 3Å; D163-T165 WeakPolarHBondContact OD1-CB 3.44Å; D163-T165 PolarHBondContact OD1-N 3.27Å; D163-T165 VanDerWaalsContact OD1-N 3.12Å; D163-T165 PolarHBondContact OD1-OG1 2.88Å; T165-T181 HydrophobicContact CG2-CG2 4.09Å
166	C	98.8	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	159.9	157.5	-59.5	0	0	0	0	109.7	T159 F180 F199	T159-C166 CarbonylContact O-C 3.55Å; T159-C166 WeakPolarHBondContact O-CA 3.37Å; T159-C166 WeakPolarHBondContact O-CB 3.26Å; C166-F180 HydrophobicContact CB-CB 3.95Å; C166-F180 HydrophobicContact CB-CD2 4.06Å; C166-F180 HydrophobicContact CB-CG 4.39Å; C166-F180 PolarHBondContact N-O 3.29Å; C166-F180 VanDerWaalsContact N-O 3.12Å; C166-F180 PolarHBondContact O-N 2.82Å; C166-F199 HydrophobicContact CB-CE2 4.02Å; C166-F199 HydrophobicContact CB-CZ 3.96Å
167	A	98.7	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.3	178.4	0	0	0	0	0	112	V158 T159 W169 Q176 T178	V158-A167 CarbonylContact C-O 3.52Å; V158-A167 VanDerWaalsContact CA-O 3.28Å; V158-A167 WeakPolarHBondContact CA-O 3.18Å; T159-A167 PolarHBondContact N-O 2.97Å; T159-A167 PolarHBondContact O-N 3.4Å; A167-W169 HydrophobicContact CB-CZ2 3.88Å; A167-Q176 HydrophobicContact CB-CG 4.01Å; A167-T178 WeakPolarHBondContact CA-O 3.44Å
168	L	98.7	Very high	98	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.9	166	175.6	68.1	0	0	0	108.3	L152 Q156 V158 Q176 C177 T178 F180 I213	L152-L168 HydrophobicContact CD1-CD1 3.59Å; Q156-L168 HydrophobicContact CB-CD1 4.24Å; V158-L168 HydrophobicContact CG2-CD1 3.91Å; L168-Q176 CarbonylContact O-C 3.55Å; L168-C177 HydrophobicContact CD2-CB 4.19Å; L168-C177 HydrophobicContact CG-CB 4.21Å; L168-C177 PolarHBondContact O-N 2.81Å; L168-T178 PolarHBondContact N-O 3.44Å; L168-T178 PolarHBondContact O-N 2.89Å; L168-F180 HydrophobicContact CB-CE2 3.84Å; L168-F180 HydrophobicContact CB-CZ 4.26Å; L168-I213 HydrophobicContact CD2-CG2 4Å
169	W	98.6	Very high	98	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.3	-177.5	-55.1	82.1	0	0	0	111.5	L139 H142 Q156 I157 T159 A167 Q175 Q176	L139-W169 HydrophobicContact CB-CD2 4.2Å; L139-W169 HydrophobicContact CB-CE3 3.96Å; L139-W169 HydrophobicContact CB-CZ3 4.23Å; L139-W169 HydrophobicContact CD1-CB 3.82Å; L139-W169 HydrophobicContact CD1-CD2 4.17Å; L139-W169 HydrophobicContact CD1-CE3 4.48Å; L139-W169 HydrophobicContact CD1-CG 3.86Å; L139-W169 HydrophobicContact CD2-CE3 4.35Å; L139-W169 HydrophobicContact CG-CE3 4.5Å; H142-W169 AromaticContact CD2-CZ2 3.95Å; Q156-W169 WeakPolarHBondContact CA-O 3.1Å; I157-W169 HydrophobicContact CG2-CB 3.86Å; I157-W169 HydrophobicContact CG2-CG 4.29Å; I157-W169 PolarHBondContact N-O 2.77Å; I157-W169 PolarHBondContact O-N 2.99Å; T159-W169 PolarHBondContact OG1-NE1 2.93Å; A167-W169 HydrophobicContact CB-CZ2 3.88Å; W169-Q175 WeakPolarHBondContact CA-O 3.22Å; W169-Q176 HydrophobicContact CD2-CB 4.41Å; W169-Q176 HydrophobicContact CE3-CB 3.96Å; W169-Q176 HydrophobicContact CH2-CB 4.13Å; W169-Q176 HydrophobicContact CZ3-CB 3.81Å
170	D	98.1	Very high	98	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.5	161.7	176.3	-69.6	0	0	0	108.5	N155 E172 T173 G174 Q175 C177	N155-D170 PolarHBondContact ND2-OD2 3.07Å; N155-D170 WeakPolarHBondContact O-CA 3.49Å; D170-E172 PolarHBondContact OD1-N 3.29Å; D170-T173 WeakPolarHBondContact CB-OG1 3.45Å; D170-T173 PolarHBondContact O-OG1 3.16Å; D170-T173 WeakPolarHBondContact OD1-CB 3.44Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.31Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 3.17Å; D170-G174 VanDerWaalsContact O-CA 3.29Å; D170-G174 WeakPolarHBondContact O-CA 3.14Å; D170-G174 PolarHBondContact O-N 2.8Å; D170-Q175 PolarHBondContact N-O 3.32Å; D170-Q175 PolarHBondContact O-N 3.24Å; D170-C177 WeakPolarHBondContact CB-SG 3.48Å; D170-C177 PolarHBondContact N-SG 2.81Å; D170-C177 VanDerWaalsContact N-SG 3.42Å
171	I	97.8	Very high	97.9	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.051	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.1	-172.5	-63.4	170.4	0	0	0	111.2	I123 R137 F151 N155 I157	I123-I171 HydrophobicContact CG1-CG2 4.32Å; I123-I171 HydrophobicContact CG2-CG2 4.4Å; R137-I171 HydrophobicContact CB-CG2 4.29Å; R137-I171 WeakPolarHBondContact CG-O 3.42Å; R137-I171 PolarHBondContact NE-O 3.14Å; F151-I171 HydrophobicContact CD1-CD1 3.89Å; F151-I171 HydrophobicContact CE1-CD1 3.68Å; N155-I171 WeakPolarHBondContact O-CB 3.2Å; N155-I171 WeakPolarHBondContact O-CG1 3.39Å; N155-I171 PolarHBondContact O-N 3.5Å; I157-I171 HydrophobicContact CB-CD1 4.16Å; I157-I171 HydrophobicContact CG2-CD1 4.1Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å
172	E	96.1	Very high	97.9	Very high	137 Å²	137	44.4 Å²	44.4	64%	0.64	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-45.6	179.4	178.1	171.4	-164.6	0	0	111.7	R137 N155 D170	R137-E172 PolarHBondContact NH1-O 2.83Å; R137-E172 PolarHBondContact NH2-O 3.4Å; N155-E172 WeakPolarHBondContact OD1-CB 3.29Å; N155-E172 PolarHBondContact OD1-N 2.88Å; D170-E172 PolarHBondContact OD1-N 3.29Å
173	T	96.3	Very high	97.9	Very high	78 Å²	78	44.5 Å²	44.5	48%	0.479	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-24.7	178.6	62.2	0	0	0	0	112.6	D170 Q175	D170-T173 WeakPolarHBondContact CB-OG1 3.45Å; D170-T173 PolarHBondContact O-OG1 3.16Å; D170-T173 WeakPolarHBondContact OD1-CB 3.44Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.31Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 3.17Å; T173-Q175 PolarHBondContact OG1-N 2.92Å
174	G	96.2	Very high	97.9	Very high	11 Å²	11	48.3 Å²	48.3	11%	0.113	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	18.8	-173.1	0	0	0	0	0	113.4	D170	D170-G174 VanDerWaalsContact O-CA 3.29Å; D170-G174 WeakPolarHBondContact O-CA 3.14Å; D170-G174 PolarHBondContact O-N 2.8Å
175	Q	97	Very high	97.9	Very high	128 Å²	128	44.9 Å²	44.9	60%	0.598	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.4	-175.9	-63.6	-63.1	-45.3	0	0	111.3	W169 D170 T173 C177	W169-Q175 WeakPolarHBondContact CA-O 3.22Å; D170-Q175 PolarHBondContact N-O 3.32Å; D170-Q175 PolarHBondContact O-N 3.24Å; T173-Q175 PolarHBondContact OG1-N 2.92Å; Q175-C177 PolarHBondContact O-N 2.98Å
176	Q	97.5	Very high	97.9	Very high	76 Å²	76	45.7 Å²	45.7	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.9	168.8	-178.1	175.7	-15.9	0	0	109.4	A167 L168 W169 T178 A179	A167-Q176 HydrophobicContact CB-CG 4.01Å; L168-Q176 CarbonylContact O-C 3.55Å; W169-Q176 HydrophobicContact CD2-CB 4.41Å; W169-Q176 HydrophobicContact CE3-CB 3.96Å; W169-Q176 HydrophobicContact CH2-CB 4.13Å; W169-Q176 HydrophobicContact CZ3-CB 3.81Å; Q176-T178 PolarHBondContact NE2-O 2.91Å; Q176-A179 VanDerWaalsContact NE2-CA 3.28Å
177	C	96.9	Very high	97.9	Very high	66 Å²	66	45.6 Å²	45.6	45%	0.446	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-43.8	176.6	-60.8	0	0	0	0	112	L168 D170 Q175	L168-C177 HydrophobicContact CD2-CB 4.19Å; L168-C177 HydrophobicContact CG-CB 4.21Å; L168-C177 PolarHBondContact O-N 2.81Å; D170-C177 WeakPolarHBondContact CB-SG 3.48Å; D170-C177 PolarHBondContact N-SG 2.81Å; D170-C177 VanDerWaalsContact N-SG 3.42Å; Q175-C177 PolarHBondContact O-N 2.98Å
178	T	98	Very high	97.9	Very high	35 Å²	35	47.7 Å²	47.7	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.3	-173.1	-50.7	0	0	0	0	109.8	A167 L168 Q176 F180	A167-T178 WeakPolarHBondContact CA-O 3.44Å; L168-T178 PolarHBondContact N-O 3.44Å; L168-T178 PolarHBondContact O-N 2.89Å; Q176-T178 PolarHBondContact NE2-O 2.91Å; T178-F180 HydrophobicContact CG2-CD1 4.41Å; T178-F180 HydrophobicContact CG2-CE1 3.99Å; T178-F180 HydrophobicContact CG2-CE2 4.19Å; T178-F180 HydrophobicContact CG2-CZ 3.84Å
179	A	97.9	Very high	97.9	Very high	50 Å²	50	48 Å²	48	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.2	168.3	0	0	0	0	0	109.4	Q176 T181	Q176-A179 VanDerWaalsContact NE2-CA 3.28Å; A179-T181 HydrophobicContact CB-CG2 4.41Å
180	F	98.7	Very high	97.9	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	96.7	174.7	-56.6	-85.6	0	0	0	108.3	C166 L168 T178 F199 W211	C166-F180 HydrophobicContact CB-CB 3.95Å; C166-F180 HydrophobicContact CB-CD2 4.06Å; C166-F180 HydrophobicContact CB-CG 4.39Å; C166-F180 PolarHBondContact N-O 3.29Å; C166-F180 VanDerWaalsContact N-O 3.12Å; C166-F180 PolarHBondContact O-N 2.82Å; L168-F180 HydrophobicContact CB-CE2 3.84Å; L168-F180 HydrophobicContact CB-CZ 4.26Å; T178-F180 HydrophobicContact CG2-CD1 4.41Å; T178-F180 HydrophobicContact CG2-CE1 3.99Å; T178-F180 HydrophobicContact CG2-CE2 4.19Å; T178-F180 HydrophobicContact CG2-CZ 3.84Å; F180-F199 HydrophobicContact CB-CZ 4.23Å; F180-F199 AromaticContact CD1-CE1 3.92Å; F180-F199 HydrophobicContact CD1-CE1 3.92Å; F180-F199 AromaticContact CD1-CZ 3.95Å; F180-F199 HydrophobicContact CD1-CZ 3.95Å; F180-F199 AromaticContact CD2-CE1 3.97Å; F180-F199 HydrophobicContact CD2-CE1 3.97Å; F180-F199 AromaticContact CD2-CZ 3.74Å; F180-F199 HydrophobicContact CD2-CZ 3.74Å; F180-F199 AromaticContact CE1-CE1 3.69Å; F180-F199 HydrophobicContact CE1-CE1 3.69Å; F180-F199 HydrophobicContact CE1-CZ 4.2Å; F180-F199 AromaticContact CE2-CE1 3.76Å; F180-F199 HydrophobicContact CE2-CE1 3.76Å; F180-F199 HydrophobicContact CE2-CZ 4.02Å; F180-F199 HydrophobicContact CG-CE1 4.06Å; F180-F199 AromaticContact CG-CZ 3.72Å; F180-F199 HydrophobicContact CG-CZ 3.72Å; F180-F199 AromaticContact CZ-CE1 3.64Å; F180-F199 HydrophobicContact CZ-CE1 3.64Å; F180-F199 HydrophobicContact CZ-CZ 4.26Å; F180-W211 HydrophobicContact CB-CD2 4.08Å; F180-W211 HydrophobicContact CB-CE3 3.77Å; F180-W211 HydrophobicContact CB-CH2 4.34Å; F180-W211 HydrophobicContact CB-CZ3 3.9Å; F180-W211 HydrophobicContact CD1-CB 4.08Å; F180-W211 HydrophobicContact CD1-CD2 4.23Å; F180-W211 AromaticContact CD1-CE3 3.85Å; F180-W211 HydrophobicContact CD1-CE3 3.85Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.34Å; F180-W211 HydrophobicContact CG-CE3 4.27Å
181	T	98.2	Very high	97.9	Very high	99 Å²	99	47.6 Å²	47.6	61%	0.607	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.1	-177.7	58	0	0	0	0	110.5	T165 A179	T165-T181 HydrophobicContact CG2-CG2 4.09Å; A179-T181 HydrophobicContact CB-CG2 4.41Å
182	G	97.6	Very high	98	Very high	40 Å²	40	48.1 Å²	48.1	41%	0.412	29%	0.286	S	S	.	.			trans	158.1	-11.3	175.1	0	0	0	0	0	115.5	K209	G182-K209 WeakPolarHBondContact O-CE 3.14Å; G182-K209 PolarHBondContact O-NZ 3.27Å
183	H	98.6	Very high	98.1	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.065	26%	0.256	C	S	.	.			trans	-73.1	155.6	164.2	-81.3	-66.8	0	0	0	110.9	V187 S201 A203 D205 S207 K209 W211	H183-V187 HydrophobicContact CB-CG2 4.02Å; H183-S201 PolarHBondContact CD2-OG 3.41Å; H183-S201 PolarHBondContact NE2-OG 2.87Å; H183-A203 HydrophobicContact CB-CB 4.34Å; H183-A203 VanDerWaalsContact ND1-CB 3.33Å; H183-A203 WeakPolarHBondContact ND1-CB 3.41Å; H183-D205 WeakPolarHBondContact CA-OD2 3.38Å; H183-D205 IonicContact CE1-OD1 2.74Å; H183-D205 IonicContact CG-OD2 3.46Å; H183-D205 IonicContact ND1-OD1 3.37Å; H183-D205 PolarHBondContact ND1-OD1 3.39Å; H183-D205 IonicContact ND1-OD2 2.79Å; H183-D205 PolarHBondContact ND1-OD2 3.43Å; H183-S207 PolarHBondContact CE1-O 2.86Å; H183-K209 WeakPolarHBondContact ND1-CE 3.09Å; H183-W211 AromaticContact CD2-CZ2 3.96Å
184	T	98.3	Very high	98.1	Very high	113 Å²	113	41.6 Å²	41.6	69%	0.693	26%	0.257	S	S	*	.	S	Bend	trans	-118.3	9	-179.7	55.4	0	0	0	0	112.9	D205	T184-D205 PolarHBondContact N-OD2 2.82Å; T184-D205 VanDerWaalsContact OG1-CB 3.26Å; T184-D205 WeakPolarHBondContact OG1-CB 3.48Å; T184-D205 PolarHBondContact OG1-OD2 2.76Å
185	G	98.5	Very high	98.2	Very high	9 Å²	9	45.5 Å²	45.5	9%	0.093	28%	0.275	C	S	.	.	S	Bend	trans	-150.9	172.3	174.7	0	0	0	0	0	110	V187	G185-V187 PolarHBondContact O-N 3.48Å
186	D	98.7	Very high	98.2	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.262	27%	0.265	S	S	.	.			trans	-56.6	128.3	-174.9	-60.1	16.5	0	0	0	110.5	Y145 M188 A203 C204	Y145-D186 WeakPolarHBondContact OH-CB 3.19Å; Y145-D186 PolarHBondContact OH-OD2 2.85Å; D186-M188 HydrophobicContact CB-SD 4.28Å; D186-M188 PolarHBondContact O-N 2.81Å; D186-A203 CarbonylContact O-C 3.55Å; D186-A203 WeakPolarHBondContact O-CA 3.46Å; D186-A203 VanDerWaalsContact O-CB 3.29Å; D186-A203 WeakPolarHBondContact O-CB 3.16Å; D186-C204 HydrophobicContact CB-CB 4.41Å; D186-C204 PolarHBondContact O-N 3.02Å
187	V	98.9	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.9	178.3	-171.1	0	0	0	0	107.6	S147 S161 H183 G185 A203	S147-V187 WeakPolarHBondContact CB-O 3.08Å; S147-V187 PolarHBondContact OG-O 2.91Å; S161-V187 PolarHBondContact O-N 3.37Å; S161-V187 VanDerWaalsContact O-N 3.14Å; H183-V187 HydrophobicContact CB-CG2 4.02Å; G185-V187 PolarHBondContact O-N 3.48Å; V187-A203 HydrophobicContact CG2-CB 4.39Å
188	M	98.8	Very high	98.4	Very high	44 Å²	44	46.2 Å²	46.2	22%	0.217	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-32.7	-170.3	-62.3	-57.3	-74.6	0	0	113.2	Y145 S147 D186 G202 I229	Y145-M188 HydrophobicContact CE2-SD 4.39Å; Y145-M188 PolarHBondContact OH-SD 3.13Å; Y145-M188 VanDerWaalsContact OH-SD 3.39Å; S147-M188 WeakPolarHBondContact CB-O 3.25Å; D186-M188 HydrophobicContact CB-SD 4.28Å; D186-M188 PolarHBondContact O-N 2.81Å; M188-G202 PolarHBondContact N-O 2.88Å; M188-I229 WeakPolarHBondContact CB-O 3.41Å
189	S	98.6	Very high	98.4	Very high	16 Å²	16	44.5 Å²	44.5	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.1	-178.9	-179	0	0	0	0	111.9	S201 G202 N230	S189-S201 CarbonylContact O-C 3.48Å; S189-S201 VanDerWaalsContact O-CA 3.28Å; S189-S201 WeakPolarHBondContact O-CA 3.46Å; S189-G202 PolarHBondContact N-O 3.23Å; S189-G202 PolarHBondContact O-N 3.3Å; S189-N230 VanDerWaalsContact CB-O 3.32Å; S189-N230 WeakPolarHBondContact CB-O 3.28Å
190	L	98.8	Very high	98.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154	168.3	70.1	86.7	0	0	0	111.5	C148 R150 V158 F199 V200	C148-L190 HydrophobicContact CB-CG 4.23Å; R150-L190 HydrophobicContact CB-CD1 3.83Å; R150-L190 HydrophobicContact CG-CD1 3.57Å; V158-L190 HydrophobicContact CB-CD2 4.48Å; V158-L190 HydrophobicContact CG1-CD2 3.88Å; L190-F199 HydrophobicContact CB-CD2 4.24Å; L190-V200 CarbonylContact C-O 3.52Å; L190-V200 WeakPolarHBondContact CA-O 3.41Å
191	S	98.9	Very high	98.5	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.161	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.8	170.8	-174.8	0	0	0	0	109.1	F199 V200 F234	S191-F199 CarbonylContact O-C 3.53Å; S191-F199 VanDerWaalsContact O-CA 3.26Å; S191-F199 WeakPolarHBondContact O-CA 3.27Å; S191-F199 VanDerWaalsContact O-CB 3.29Å; S191-F199 WeakPolarHBondContact O-CB 3.23Å; S191-V200 PolarHBondContact N-O 3.5Å; S191-V200 PolarHBondContact O-N 3.28Å; S191-F234 WeakPolarHBondContact O-CD2 3.42Å; S191-F234 WeakPolarHBondContact O-CE2 3.06Å; S191-F234 PolarHBondContact OG-N 3.46Å; S191-F234 VanDerWaalsContact OG-N 3.12Å
192	L	98.8	Very high	98.5	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.11	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.5	172.1	-64.9	173.9	0	0	0	110.3	R150 F151 L152 V158 M196 F199 I213 F234	R150-L192 HydrophobicContact CB-CD1 3.6Å; R150-L192 HydrophobicContact CB-CG 3.86Å; F151-L192 VanDerWaalsContact O-CD1 3.29Å; F151-L192 WeakPolarHBondContact O-CD1 3.39Å; L152-L192 HydrophobicContact CD2-CD1 3.83Å; L152-L192 HydrophobicContact CD2-CD2 3.77Å; L152-L192 HydrophobicContact CD2-CG 4.4Å; L152-L192 HydrophobicContact CG-CD1 4.4Å; V158-L192 HydrophobicContact CB-CD2 4.49Å; V158-L192 HydrophobicContact CG2-CD2 4.09Å; L192-M196 HydrophobicContact CB-SD 3.79Å; L192-M196 HydrophobicContact CD1-SD 3.67Å; L192-M196 HydrophobicContact CG-SD 4.3Å; L192-F199 HydrophobicContact CD2-CB 3.84Å; L192-I213 HydrophobicContact CD2-CD1 4.14Å; L192-F234 WeakPolarHBondContact O-CD2 3.32Å
193	S	98.4	Very high	98.5	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	19%	0.188	C	C	.	.			trans	-70.5	154.4	170.1	58.7	0	0	0	0	110.9	D195 M196 R197 T198	S193-D195 WeakPolarHBondContact CB-OD1 3.29Å; S193-D195 PolarHBondContact O-N 3.41Å; S193-D195 VanDerWaalsContact O-N 3.13Å; S193-D195 PolarHBondContact OG-OD1 3.36Å; S193-M196 PolarHBondContact O-N 3.47Å; S193-R197 PolarHBondContact OG-N 3.27Å; S193-T198 VanDerWaalsContact CB-OG1 3.23Å; S193-T198 WeakPolarHBondContact CB-OG1 3.34Å; S193-T198 PolarHBondContact N-O 3.12Å; S193-T198 PolarHBondContact OG-N 3.28Å; S193-T198 VanDerWaalsContact OG-N 3.07Å; S193-T198 PolarHBondContact OG-O 3.07Å; S193-T198 PolarHBondContact OG-OG1 3.02Å
194	P	97.9	Very high	98.6	Very high	75 Å²	75	36.5 Å²	36.5	49%	0.487	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.7	178.6	-27.1	35.2	0	0	0	114.8	M196 P236	P194-M196 VanDerWaalsContact C-N 3.35Å; P194-P236 WeakPolarHBondContact CG-O 3.43Å
195	D	97.5	Very high	98.6	Very high	92 Å²	92	32.9 Å²	32.9	49%	0.492	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.7	176.8	72.3	-11.3	0	0	0	113.9	S193 R197	S193-D195 WeakPolarHBondContact CB-OD1 3.29Å; S193-D195 PolarHBondContact O-N 3.41Å; S193-D195 VanDerWaalsContact O-N 3.13Å; S193-D195 PolarHBondContact OG-OD1 3.36Å; D195-R197 HydrophobicContact CB-CG 4.41Å; D195-R197 WeakPolarHBondContact O-CG 3.33Å; D195-R197 PolarHBondContact O-N 3.15Å; D195-R197 PolarHBondContact OD1-N 3.37Å; D195-R197 VanDerWaalsContact OD1-N 3.15Å; D195-R197 WeakPolarHBondContact OD2-CD 3.25Å
196	M	97.7	Very high	98.6	Very high	79 Å²	79	33.4 Å²	33.4	39%	0.389	18%	0.177	S	C	.	.	S	Bend	trans	58	24.3	179.8	-56.6	-63.9	-177.6	0	0	114.4	L152 L192 S193 P194	L152-M196 HydrophobicContact CD2-CB 3.88Å; L152-M196 HydrophobicContact CD2-SD 4.18Å; L192-M196 HydrophobicContact CB-SD 3.79Å; L192-M196 HydrophobicContact CD1-SD 3.67Å; L192-M196 HydrophobicContact CG-SD 4.3Å; S193-M196 PolarHBondContact O-N 3.47Å; P194-M196 VanDerWaalsContact C-N 3.35Å
197	R	98.2	Very high	98.6	Very high	177 Å²	177	31.6 Å²	31.6	67%	0.668	17%	0.168	S	C	*	.	S	Bend	trans	-100	-24.7	179.5	-62.8	-176	-177.7	-177.6	-0.6	113.7	S193 D195 I213	S193-R197 PolarHBondContact OG-N 3.27Å; D195-R197 HydrophobicContact CB-CG 4.41Å; D195-R197 WeakPolarHBondContact O-CG 3.33Å; D195-R197 PolarHBondContact O-N 3.15Å; D195-R197 PolarHBondContact OD1-N 3.37Å; D195-R197 VanDerWaalsContact OD1-N 3.15Å; D195-R197 WeakPolarHBondContact OD2-CD 3.25Å; R197-I213 WeakPolarHBondContact O-CB 3.48Å; R197-I213 WeakPolarHBondContact O-CG1 3.48Å; R197-I213 PolarHBondContact O-N 3.03Å
198	T	98.6	Very high	98.6	Very high	29 Å²	29	31.6 Å²	31.6	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	166.3	-179	63.1	0	0	0	0	110	S193 W211	S193-T198 VanDerWaalsContact CB-OG1 3.23Å; S193-T198 WeakPolarHBondContact CB-OG1 3.34Å; S193-T198 PolarHBondContact N-O 3.12Å; S193-T198 PolarHBondContact OG-N 3.28Å; S193-T198 VanDerWaalsContact OG-N 3.07Å; S193-T198 PolarHBondContact OG-O 3.07Å; S193-T198 PolarHBondContact OG-OG1 3.02Å; T198-W211 CarbonylContact C-O 3.6Å; T198-W211 WeakPolarHBondContact CA-O 3.36Å; T198-W211 WeakPolarHBondContact CB-O 3.23Å
199	F	98.9	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.1	167.3	71.8	-87.1	0	0	0	110.3	V158 C166 F180 L190 S191 L192 W211 I213	V158-F199 HydrophobicContact CG1-CD1 4.35Å; V158-F199 HydrophobicContact CG1-CE1 4.17Å; V158-F199 HydrophobicContact CG1-CE2 4.4Å; V158-F199 HydrophobicContact CG1-CZ 4.2Å; C166-F199 HydrophobicContact CB-CE2 4.02Å; C166-F199 HydrophobicContact CB-CZ 3.96Å; F180-F199 HydrophobicContact CB-CZ 4.23Å; F180-F199 AromaticContact CD1-CE1 3.92Å; F180-F199 HydrophobicContact CD1-CE1 3.92Å; F180-F199 AromaticContact CD1-CZ 3.95Å; F180-F199 HydrophobicContact CD1-CZ 3.95Å; F180-F199 AromaticContact CD2-CE1 3.97Å; F180-F199 HydrophobicContact CD2-CE1 3.97Å; F180-F199 AromaticContact CD2-CZ 3.74Å; F180-F199 HydrophobicContact CD2-CZ 3.74Å; F180-F199 AromaticContact CE1-CE1 3.69Å; F180-F199 HydrophobicContact CE1-CE1 3.69Å; F180-F199 HydrophobicContact CE1-CZ 4.2Å; F180-F199 AromaticContact CE2-CE1 3.76Å; F180-F199 HydrophobicContact CE2-CE1 3.76Å; F180-F199 HydrophobicContact CE2-CZ 4.02Å; F180-F199 HydrophobicContact CG-CE1 4.06Å; F180-F199 AromaticContact CG-CZ 3.72Å; F180-F199 HydrophobicContact CG-CZ 3.72Å; F180-F199 AromaticContact CZ-CE1 3.64Å; F180-F199 HydrophobicContact CZ-CE1 3.64Å; F180-F199 HydrophobicContact CZ-CZ 4.26Å; L190-F199 HydrophobicContact CB-CD2 4.24Å; S191-F199 CarbonylContact O-C 3.53Å; S191-F199 VanDerWaalsContact O-CA 3.26Å; S191-F199 WeakPolarHBondContact O-CA 3.27Å; S191-F199 VanDerWaalsContact O-CB 3.29Å; S191-F199 WeakPolarHBondContact O-CB 3.23Å; L192-F199 HydrophobicContact CD2-CB 3.84Å; F199-W211 HydrophobicContact CD1-CB 3.82Å; F199-W211 HydrophobicContact CD1-CG 4.5Å; F199-W211 HydrophobicContact CD2-CB 4.43Å; F199-W211 AromaticContact CD2-CD1 3.69Å; F199-W211 HydrophobicContact CD2-CG 4.34Å; F199-W211 HydrophobicContact CE1-CB 3.38Å; F199-W211 AromaticContact CE1-CG 3.9Å; F199-W211 HydrophobicContact CE1-CG 3.9Å; F199-W211 HydrophobicContact CE2-CB 4.05Å; F199-W211 AromaticContact CE2-CD1 3.18Å; F199-W211 AromaticContact CE2-CG 3.7Å; F199-W211 HydrophobicContact CE2-CG 3.7Å; F199-W211 AromaticContact CE2-NE1 3.79Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.51Å; F199-W211 AromaticContact CZ-CD1 3.46Å; F199-W211 VanDerWaalsContact CZ-CD1 3.46Å; F199-W211 HydrophobicContact CZ-CD2 4.22Å; F199-W211 AromaticContact CZ-CG 3.44Å; F199-W211 HydrophobicContact CZ-CG 3.44Å; F199-W211 VanDerWaalsContact CZ-CG 3.44Å; F199-W211 PolarHBondContact N-O 3.1Å; F199-W211 PolarHBondContact O-N 3.35Å; F199-I213 HydrophobicContact CD1-CD1 4.26Å; F199-I213 HydrophobicContact CD1-CG1 3.75Å; F199-I213 HydrophobicContact CE1-CG1 4.29Å
200	V	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143	169.8	-66.2	0	0	0	0	109.6	L190 S191 K209 L210 V232 F234 F241	L190-V200 CarbonylContact C-O 3.52Å; L190-V200 WeakPolarHBondContact CA-O 3.41Å; S191-V200 PolarHBondContact N-O 3.5Å; S191-V200 PolarHBondContact O-N 3.28Å; V200-K209 CarbonylContact C-O 3.41Å; V200-K209 WeakPolarHBondContact CA-O 3.18Å; V200-L210 HydrophobicContact CG1-CB 4.37Å; V200-L210 HydrophobicContact CG1-CD1 3.79Å; V200-V232 HydrophobicContact CG2-CB 4.2Å; V200-V232 HydrophobicContact CG2-CG2 4.12Å; V200-F234 HydrophobicContact CB-CE2 4.14Å; V200-F234 HydrophobicContact CB-CZ 4.5Å; V200-F234 HydrophobicContact CG1-CE1 4.4Å; V200-F234 HydrophobicContact CG1-CE2 3.82Å; V200-F234 HydrophobicContact CG1-CZ 3.68Å; V200-F234 HydrophobicContact CG2-CD2 3.85Å; V200-F234 HydrophobicContact CG2-CE2 3.67Å; V200-F234 HydrophobicContact CG2-CZ 4.35Å; V200-F241 HydrophobicContact CG1-CD1 3.9Å; V200-F241 HydrophobicContact CG1-CE1 4.12Å; V200-F241 HydrophobicContact CG1-CG 4.12Å; V200-F241 HydrophobicContact CG2-CB 4.27Å; V200-F241 HydrophobicContact CG2-CD2 4.38Å; V200-F241 HydrophobicContact CG2-CG 4.27Å
201	S	98.9	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.7	170.5	57.8	0	0	0	0	110.9	H183 S189 A208 K209 W211	H183-S201 PolarHBondContact CD2-OG 3.41Å; H183-S201 PolarHBondContact NE2-OG 2.87Å; S189-S201 CarbonylContact O-C 3.48Å; S189-S201 VanDerWaalsContact O-CA 3.28Å; S189-S201 WeakPolarHBondContact O-CA 3.46Å; S201-A208 CarbonylContact O-C 3.52Å; S201-A208 WeakPolarHBondContact O-CA 3.36Å; S201-K209 PolarHBondContact N-O 3.12Å; S201-K209 PolarHBondContact O-N 2.82Å; S201-W211 PolarHBondContact OG-NE1 3.09Å
202	G	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.8	171	0	0	0	0	0	110.4	M188 S189 I229	M188-G202 PolarHBondContact N-O 2.88Å; S189-G202 PolarHBondContact N-O 3.23Å; S189-G202 PolarHBondContact O-N 3.3Å; G202-I229 CarbonylContact C-O 3.56Å
203	A	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	171.5	-170.9	0	0	0	0	0	113.3	H183 D186 V187 D205 A206 S207 I229	H183-A203 HydrophobicContact CB-CB 4.34Å; H183-A203 VanDerWaalsContact ND1-CB 3.33Å; H183-A203 WeakPolarHBondContact ND1-CB 3.41Å; D186-A203 CarbonylContact O-C 3.55Å; D186-A203 WeakPolarHBondContact O-CA 3.46Å; D186-A203 VanDerWaalsContact O-CB 3.29Å; D186-A203 WeakPolarHBondContact O-CB 3.16Å; V187-A203 HydrophobicContact CG2-CB 4.39Å; A203-D205 PolarHBondContact O-N 2.88Å; A203-A206 PolarHBondContact O-N 3.33Å; A203-S207 PolarHBondContact N-O 3.44Å; A203-I229 PolarHBondContact O-N 3.08Å
204	C	98.8	Very high	98.5	Very high	36 Å²	36	42.3 Å²	42.3	24%	0.243	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	5.3	173.5	-61.6	0	0	0	0	114	D186 A206 D228	D186-C204 HydrophobicContact CB-CB 4.41Å; D186-C204 PolarHBondContact O-N 3.02Å; C204-A206 VanDerWaalsContact C-N 3.27Å; C204-D228 WeakPolarHBondContact CA-OD1 3.28Å; C204-D228 HydrophobicContact CB-CB 4.34Å; C204-D228 VanDerWaalsContact SG-CG 3.5Å; C204-D228 PolarHBondContact SG-OD2 2.84Å
205	D	98.5	Very high	98.5	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.193	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	15.2	168.8	64.2	16.5	0	0	0	112.9	H183 T184 A203 S207	H183-D205 WeakPolarHBondContact CA-OD2 3.38Å; H183-D205 IonicContact CE1-OD1 2.74Å; H183-D205 IonicContact CG-OD2 3.46Å; H183-D205 IonicContact ND1-OD1 3.37Å; H183-D205 PolarHBondContact ND1-OD1 3.39Å; H183-D205 IonicContact ND1-OD2 2.79Å; H183-D205 PolarHBondContact ND1-OD2 3.43Å; T184-D205 PolarHBondContact N-OD2 2.82Å; T184-D205 VanDerWaalsContact OG1-CB 3.26Å; T184-D205 WeakPolarHBondContact OG1-CB 3.48Å; T184-D205 PolarHBondContact OG1-OD2 2.76Å; A203-D205 PolarHBondContact O-N 2.88Å; D205-S207 VanDerWaalsContact CG-OG 3.31Å; D205-S207 PolarHBondContact O-N 3.12Å; D205-S207 VanDerWaalsContact O-N 3.09Å; D205-S207 WeakPolarHBondContact OD1-CB 3.21Å; D205-S207 PolarHBondContact OD1-N 2.59Å; D205-S207 VanDerWaalsContact OD1-N 3.11Å; D205-S207 PolarHBondContact OD1-OG 3.37Å
206	A	98.6	Very high	98.5	Very high	21 Å²	21	38.3 Å²	38.3	17%	0.174	18%	0.18	C	C	.	.	S	Bend	trans	55.5	21.3	-177.3	0	0	0	0	0	114.3	A203 C204 H225 S227	A203-A206 PolarHBondContact O-N 3.33Å; C204-A206 VanDerWaalsContact C-N 3.27Å; A206-H225 HydrophobicContact CB-CB 4.36Å; A206-S227 WeakPolarHBondContact CA-O 3.12Å; A206-S227 WeakPolarHBondContact CB-O 3.25Å
207	S	98.6	Very high	98.5	Very high	11 Å²	11	40.1 Å²	40.1	8%	0.077	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145	178.9	81.6	0	0	0	0	112.2	H183 A203 D205 I229	H183-S207 PolarHBondContact CE1-O 2.86Å; A203-S207 PolarHBondContact N-O 3.44Å; D205-S207 VanDerWaalsContact CG-OG 3.31Å; D205-S207 PolarHBondContact O-N 3.12Å; D205-S207 VanDerWaalsContact O-N 3.09Å; D205-S207 WeakPolarHBondContact OD1-CB 3.21Å; D205-S207 PolarHBondContact OD1-N 2.59Å; D205-S207 VanDerWaalsContact OD1-N 3.11Å; D205-S207 PolarHBondContact OD1-OG 3.37Å; S207-I229 VanDerWaalsContact C-CD1 3.43Å
208	A	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146	163.9	0	0	0	0	0	110.2	S201 T221 F222 I229 F241 T243	S201-A208 CarbonylContact O-C 3.52Å; S201-A208 WeakPolarHBondContact O-CA 3.36Å; A208-T221 CarbonylContact O-C 3.57Å; A208-T221 WeakPolarHBondContact O-CA 3.26Å; A208-F222 HydrophobicContact CB-CB 4.3Å; A208-F222 PolarHBondContact N-O 3.48Å; A208-F222 PolarHBondContact O-N 2.91Å; A208-I229 HydrophobicContact CB-CD1 4.31Å; A208-F241 HydrophobicContact CB-CE2 3.74Å; A208-F241 HydrophobicContact CB-CZ 4.1Å; A208-T243 HydrophobicContact CB-CG2 4.27Å
209	K	98.9	Very high	98.5	Very high	23 Å²	23	37.4 Å²	37.4	10%	0.1	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.6	178.4	-69.6	179.5	-170.1	-79.9	0	111.1	G182 H183 V200 S201 W211 Q220 T221	G182-K209 WeakPolarHBondContact O-CE 3.14Å; G182-K209 PolarHBondContact O-NZ 3.27Å; H183-K209 WeakPolarHBondContact ND1-CE 3.09Å; V200-K209 CarbonylContact C-O 3.41Å; V200-K209 WeakPolarHBondContact CA-O 3.18Å; S201-K209 PolarHBondContact N-O 3.12Å; S201-K209 PolarHBondContact O-N 2.82Å; K209-W211 HydrophobicContact CB-CZ2 3.77Å; K209-W211 HydrophobicContact CD-CH2 4.04Å; K209-W211 HydrophobicContact CD-CZ2 3.54Å; K209-W211 HydrophobicContact CG-CZ2 4.29Å; K209-W211 PolarHBondContact O-NE1 3.06Å; K209-Q220 WeakPolarHBondContact CA-O 3.29Å; K209-T221 HydrophobicContact CG-CG2 4.14Å; K209-T221 PolarHBondContact NZ-OG1 3.2Å
210	L	98.9	Very high	98.5	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.052	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.4	171.8	176.9	70.2	0	0	0	109.3	V200 C218 K219 Q220 F222 F234 I255	V200-L210 HydrophobicContact CG1-CB 4.37Å; V200-L210 HydrophobicContact CG1-CD1 3.79Å; L210-C218 CarbonylContact O-C 3.5Å; L210-K219 HydrophobicContact CD2-CB 4.31Å; L210-K219 HydrophobicContact CG-CB 4.44Å; L210-K219 PolarHBondContact O-N 3.41Å; L210-Q220 HydrophobicContact CB-CB 4.31Å; L210-Q220 PolarHBondContact N-O 2.77Å; L210-F222 HydrophobicContact CB-CE2 3.99Å; L210-F234 HydrophobicContact CD1-CZ 4.08Å; L210-I255 HydrophobicContact CD1-CD1 4.34Å; L210-I255 HydrophobicContact CD2-CD1 4.26Å; L210-I255 HydrophobicContact CD2-CG1 4.4Å; L210-I255 HydrophobicContact CD2-CG2 3.85Å
211	W	98.9	Very high	98.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.4	-176.5	-52.9	90.4	0	0	0	110.9	F180 H183 T198 F199 S201 K209 C218	F180-W211 HydrophobicContact CB-CD2 4.08Å; F180-W211 HydrophobicContact CB-CE3 3.77Å; F180-W211 HydrophobicContact CB-CH2 4.34Å; F180-W211 HydrophobicContact CB-CZ3 3.9Å; F180-W211 HydrophobicContact CD1-CB 4.08Å; F180-W211 HydrophobicContact CD1-CD2 4.23Å; F180-W211 AromaticContact CD1-CE3 3.85Å; F180-W211 HydrophobicContact CD1-CE3 3.85Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.34Å; F180-W211 HydrophobicContact CG-CE3 4.27Å; H183-W211 AromaticContact CD2-CZ2 3.96Å; T198-W211 CarbonylContact C-O 3.6Å; T198-W211 WeakPolarHBondContact CA-O 3.36Å; T198-W211 WeakPolarHBondContact CB-O 3.23Å; F199-W211 HydrophobicContact CD1-CB 3.82Å; F199-W211 HydrophobicContact CD1-CG 4.5Å; F199-W211 HydrophobicContact CD2-CB 4.43Å; F199-W211 AromaticContact CD2-CD1 3.69Å; F199-W211 HydrophobicContact CD2-CG 4.34Å; F199-W211 HydrophobicContact CE1-CB 3.38Å; F199-W211 AromaticContact CE1-CG 3.9Å; F199-W211 HydrophobicContact CE1-CG 3.9Å; F199-W211 HydrophobicContact CE2-CB 4.05Å; F199-W211 AromaticContact CE2-CD1 3.18Å; F199-W211 AromaticContact CE2-CG 3.7Å; F199-W211 HydrophobicContact CE2-CG 3.7Å; F199-W211 AromaticContact CE2-NE1 3.79Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.51Å; F199-W211 AromaticContact CZ-CD1 3.46Å; F199-W211 VanDerWaalsContact CZ-CD1 3.46Å; F199-W211 HydrophobicContact CZ-CD2 4.22Å; F199-W211 AromaticContact CZ-CG 3.44Å; F199-W211 HydrophobicContact CZ-CG 3.44Å; F199-W211 VanDerWaalsContact CZ-CG 3.44Å; F199-W211 PolarHBondContact N-O 3.1Å; F199-W211 PolarHBondContact O-N 3.35Å; S201-W211 PolarHBondContact OG-NE1 3.09Å; K209-W211 HydrophobicContact CB-CZ2 3.77Å; K209-W211 HydrophobicContact CD-CH2 4.04Å; K209-W211 HydrophobicContact CD-CZ2 3.54Å; K209-W211 HydrophobicContact CG-CZ2 4.29Å; K209-W211 PolarHBondContact O-NE1 3.06Å; W211-C218 HydrophobicContact CD2-CB 4.35Å; W211-C218 HydrophobicContact CE3-CB 3.68Å; W211-C218 HydrophobicContact CH2-CB 4Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å
212	D	98.6	Very high	98.5	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.219	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.1	168.6	-177.6	-54.5	0	0	0	109.4	R214 D215 G216 M217 K219	D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 2.88Å; D212-R214 WeakPolarHBondContact OD1-CA 3.34Å; D212-R214 WeakPolarHBondContact OD1-CB 3.35Å; D212-R214 PolarHBondContact OD1-N 3.4Å; D212-D215 WeakPolarHBondContact CB-OD1 3.47Å; D212-D215 PolarHBondContact OD1-N 2.95Å; D212-D215 VanDerWaalsContact OD1-N 3.12Å; D212-G216 WeakPolarHBondContact O-CA 3.23Å; D212-G216 PolarHBondContact O-N 2.95Å; D212-M217 PolarHBondContact N-O 3.48Å; D212-K219 HydrophobicContact CB-CD 4.34Å; D212-K219 HydrophobicContact CB-CG 4.09Å
213	I	98.4	Very high	98.4	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.077	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-32.6	-173.6	-67.5	172.5	0	0	0	111.1	L152 L168 L192 R197 F199	L152-I213 HydrophobicContact CD1-CD1 4.2Å; L152-I213 HydrophobicContact CD1-CG2 4.03Å; L152-I213 HydrophobicContact CD2-CD1 3.71Å; L168-I213 HydrophobicContact CD2-CG2 4Å; L192-I213 HydrophobicContact CD2-CD1 4.14Å; R197-I213 WeakPolarHBondContact O-CB 3.48Å; R197-I213 WeakPolarHBondContact O-CG1 3.48Å; R197-I213 PolarHBondContact O-N 3.03Å; F199-I213 HydrophobicContact CD1-CD1 4.26Å; F199-I213 HydrophobicContact CD1-CG1 3.75Å; F199-I213 HydrophobicContact CE1-CG1 4.29Å
214	R	97.7	Very high	98.3	Very high	241 Å²	241	46.8 Å²	46.8	91%	0.909	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.1	-172.4	-178.6	-179.8	177.6	-178.3	0.1	111.9	D212	D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 2.88Å; D212-R214 WeakPolarHBondContact OD1-CA 3.34Å; D212-R214 WeakPolarHBondContact OD1-CB 3.35Å; D212-R214 PolarHBondContact OD1-N 3.4Å
215	D	96.8	Very high	98.3	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.4	-179.4	72.1	20.6	0	0	0	114.3	D212 M217 K219	D212-D215 WeakPolarHBondContact CB-OD1 3.47Å; D212-D215 PolarHBondContact OD1-N 2.95Å; D212-D215 VanDerWaalsContact OD1-N 3.12Å; D215-M217 VanDerWaalsContact C-N 3.29Å; D215-M217 PolarHBondContact O-N 3.08Å; D215-M217 VanDerWaalsContact OD1-CB 3.28Å; D215-M217 WeakPolarHBondContact OD1-CB 3.44Å; D215-M217 PolarHBondContact OD1-N 2.93Å; D215-K219 IonicContact OD1-NZ 3.3Å; D215-K219 WeakPolarHBondContact OD2-CE 3.16Å; D215-K219 IonicContact OD2-NZ 3.03Å; D215-K219 PolarHBondContact OD2-NZ 2.6Å
216	G	97.7	Very high	98.3	Very high	10 Å²	10	52.1 Å²	52.1	10%	0.103	27%	0.267	C	S	.	.			trans	79	8.2	175.8	0	0	0	0	0	114.6	D212	D212-G216 WeakPolarHBondContact O-CA 3.23Å; D212-G216 PolarHBondContact O-N 2.95Å
217	M	98.2	Very high	98.2	Very high	118 Å²	118	53.1 Å²	53.1	58%	0.581	27%	0.273	S	S	*	.			trans	-103.6	145.3	-169.6	-60.4	-66.8	161.6	0	0	112.9	D212 D215 K219	D212-M217 PolarHBondContact N-O 3.48Å; D215-M217 VanDerWaalsContact C-N 3.29Å; D215-M217 PolarHBondContact O-N 3.08Å; D215-M217 VanDerWaalsContact OD1-CB 3.28Å; D215-M217 WeakPolarHBondContact OD1-CB 3.44Å; D215-M217 PolarHBondContact OD1-N 2.93Å; M217-K219 PolarHBondContact O-N 2.8Å
218	C	98.6	Very high	98.2	Very high	48 Å²	48	55.1 Å²	55.1	32%	0.324	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.7	165.2	-176	0	0	0	0	109.1	L210 W211 Q220	L210-C218 CarbonylContact O-C 3.5Å; W211-C218 HydrophobicContact CD2-CB 4.35Å; W211-C218 HydrophobicContact CE3-CB 3.68Å; W211-C218 HydrophobicContact CH2-CB 4Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å; C218-Q220 PolarHBondContact SG-O 3.06Å; C218-Q220 VanDerWaalsContact SG-O 3.34Å
219	K	98.5	Very high	98.2	Very high	101 Å²	101	55.1 Å²	55.1	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-41.2	177	-60.6	-58.9	-179.5	179.8	0	112.3	L210 D212 D215 M217	L210-K219 HydrophobicContact CD2-CB 4.31Å; L210-K219 HydrophobicContact CG-CB 4.44Å; L210-K219 PolarHBondContact O-N 3.41Å; D212-K219 HydrophobicContact CB-CD 4.34Å; D212-K219 HydrophobicContact CB-CG 4.09Å; D215-K219 IonicContact OD1-NZ 3.3Å; D215-K219 WeakPolarHBondContact OD2-CE 3.16Å; D215-K219 IonicContact OD2-NZ 3.03Å; D215-K219 PolarHBondContact OD2-NZ 2.6Å; M217-K219 PolarHBondContact O-N 2.8Å
220	Q	98.6	Very high	98.2	Very high	43 Å²	43	55.6 Å²	55.6	20%	0.201	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.7	-176.3	-71.3	173.3	-53.7	0	0	111.1	K209 L210 C218 F222 I255 D258	K209-Q220 WeakPolarHBondContact CA-O 3.29Å; L210-Q220 HydrophobicContact CB-CB 4.31Å; L210-Q220 PolarHBondContact N-O 2.77Å; C218-Q220 PolarHBondContact SG-O 3.06Å; C218-Q220 VanDerWaalsContact SG-O 3.34Å; Q220-F222 HydrophobicContact CB-CD2 4.38Å; Q220-F222 HydrophobicContact CB-CE2 3.58Å; Q220-F222 HydrophobicContact CB-CZ 3.72Å; Q220-F222 HydrophobicContact CG-CZ 4.41Å; Q220-I255 PolarHBondContact NE2-O 3Å; Q220-I255 PolarHBondContact OE1-O 2.86Å; Q220-D258 WeakPolarHBondContact CG-OD1 3.35Å; Q220-D258 PolarHBondContact NE2-OD1 3.44Å
221	T	98.7	Very high	98.2	Very high	49 Å²	49	55.3 Å²	55.3	30%	0.301	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.8	171.5	-62.1	0	0	0	0	109	R22 A208 K209 P223	R22-T221 PolarHBondContact NH2-O 3.09Å; A208-T221 CarbonylContact O-C 3.57Å; A208-T221 WeakPolarHBondContact O-CA 3.26Å; K209-T221 HydrophobicContact CG-CG2 4.14Å; K209-T221 PolarHBondContact NZ-OG1 3.2Å; T221-P223 VanDerWaalsContact O-CD 3.23Å; T221-P223 WeakPolarHBondContact O-CD 3.17Å
222	F	98.7	Very high	98.2	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	96.5	-175.6	-57.1	-93.9	0	0	0	109.2	A208 L210 Q220 F241 F253 I255	A208-F222 HydrophobicContact CB-CB 4.3Å; A208-F222 PolarHBondContact N-O 3.48Å; A208-F222 PolarHBondContact O-N 2.91Å; L210-F222 HydrophobicContact CB-CE2 3.99Å; Q220-F222 HydrophobicContact CB-CD2 4.38Å; Q220-F222 HydrophobicContact CB-CE2 3.58Å; Q220-F222 HydrophobicContact CB-CZ 3.72Å; Q220-F222 HydrophobicContact CG-CZ 4.41Å; F222-F241 HydrophobicContact CB-CZ 4.12Å; F222-F241 HydrophobicContact CD1-CE1 4.3Å; F222-F241 HydrophobicContact CD1-CZ 4.08Å; F222-F241 AromaticContact CD2-CE1 3.9Å; F222-F241 HydrophobicContact CD2-CE1 3.9Å; F222-F241 AromaticContact CD2-CZ 3.5Å; F222-F241 HydrophobicContact CD2-CZ 3.5Å; F222-F241 HydrophobicContact CE1-CE1 4.12Å; F222-F241 HydrophobicContact CE1-CZ 4.35Å; F222-F241 AromaticContact CE2-CE1 3.72Å; F222-F241 HydrophobicContact CE2-CE1 3.72Å; F222-F241 AromaticContact CE2-CZ 3.84Å; F222-F241 HydrophobicContact CE2-CZ 3.84Å; F222-F241 HydrophobicContact CG-CE1 4.19Å; F222-F241 AromaticContact CG-CZ 3.64Å; F222-F241 HydrophobicContact CG-CZ 3.64Å; F222-F241 AromaticContact CZ-CE1 3.83Å; F222-F241 HydrophobicContact CZ-CE1 3.83Å; F222-F241 HydrophobicContact CZ-CZ 4.25Å; F222-F253 HydrophobicContact CB-CD1 3.87Å; F222-F253 HydrophobicContact CB-CE1 3.98Å; F222-F253 HydrophobicContact CB-CG 4.32Å; F222-F253 HydrophobicContact CD1-CB 4.13Å; F222-F253 AromaticContact CD1-CD1 3.89Å; F222-F253 HydrophobicContact CD1-CD1 3.89Å; F222-F253 HydrophobicContact CD1-CG 4.27Å; F222-F253 HydrophobicContact CG-CD1 4.25Å; F222-I255 HydrophobicContact CZ-CG1 4.49Å
223	P	97.5	Very high	98.3	Very high	71 Å²	71	54.3 Å²	54.3	46%	0.461	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	160.7	167.3	35.9	-34.8	0	0	0	110.2	R22 T221	R22-P223 VanDerWaalsContact NH1-CG 3.26Å; T221-P223 VanDerWaalsContact O-CD 3.23Å; T221-P223 WeakPolarHBondContact O-CD 3.17Å
224	G	96	Very high	98.3	Very high	32 Å²	32	54.5 Å²	54.5	33%	0.33	28%	0.283	S	S	.	.			trans	165.6	-45.7	170.6	0	0	0	0	0	111.4	R251	G224-R251 VanDerWaalsContact CA-NH1 3.33Å; G224-R251 PolarHBondContact O-NH1 3.06Å; G224-R251 PolarHBondContact O-NH2 3.47Å
225	H	98.5	Very high	98.3	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.06	25%	0.248	C	C	.	.			trans	-61	152.6	178.1	-79.5	-67	0	0	0	112.9	A206 I229 T243 S245 D247 T249 R251	A206-H225 HydrophobicContact CB-CB 4.36Å; H225-I229 HydrophobicContact CB-CD1 4.38Å; H225-I229 HydrophobicContact CB-CG1 4.12Å; H225-T243 PolarHBondContact NE2-OG1 3.02Å; H225-S245 WeakPolarHBondContact CE1-CB 3.41Å; H225-S245 WeakPolarHBondContact ND1-CB 3.38Å; H225-D247 WeakPolarHBondContact CA-OD2 3.3Å; H225-D247 IonicContact CE1-OD1 2.74Å; H225-D247 IonicContact CE1-OD2 2.95Å; H225-D247 IonicContact CG-OD2 3.25Å; H225-D247 VanDerWaalsContact ND1-CG 3.34Å; H225-D247 IonicContact ND1-OD1 3.61Å; H225-D247 PolarHBondContact ND1-OD1 2.96Å; H225-D247 IonicContact ND1-OD2 3.62Å; H225-D247 PolarHBondContact ND1-OD2 3.46Å; H225-T249 PolarHBondContact CE1-O 3.36Å; H225-T249 PolarHBondContact CE1-OG1 3.11Å; H225-T249 VanDerWaalsContact CE1-OG1 3.29Å; H225-T249 PolarHBondContact ND1-OG1 2.87Å; H225-R251 VanDerWaalsContact CE1-CD 3.49Å; H225-R251 WeakPolarHBondContact CE1-CD 3.44Å; H225-R251 PolarHBondContact ND1-NE 3.34Å
226	E	98.2	Very high	98.4	Very high	171 Å²	171	44.1 Å²	44.1	80%	0.799	25%	0.247	S	C	*	.	S	Bend	trans	-97.7	-10	179	-60.5	-173.8	176.5	0	0	112.8	D247	E226-D247 HydrophobicContact CB-CB 4.08Å; E226-D247 PolarHBondContact N-OD2 3.31Å
227	S	98.4	Very high	98.4	Very high	43 Å²	43	47.8 Å²	47.8	30%	0.301	26%	0.264	S	S	.	.	S	Bend	trans	-147.9	-175.7	-178	-161.4	0	0	0	0	111.1	A206 S245	A206-S227 WeakPolarHBondContact CA-O 3.12Å; A206-S227 WeakPolarHBondContact CB-O 3.25Å; S227-S245 PolarHBondContact O-OG 3.39Å
228	D	98.7	Very high	98.4	Very high	52 Å²	52	42.9 Å²	42.9	28%	0.278	24%	0.244	S	C	.	.			trans	-50.3	135.8	-178.7	-61.4	2.1	0	0	0	112.9	C204 S245 D246	C204-D228 WeakPolarHBondContact CA-OD1 3.28Å; C204-D228 HydrophobicContact CB-CB 4.34Å; C204-D228 VanDerWaalsContact SG-CG 3.5Å; C204-D228 PolarHBondContact SG-OD2 2.84Å; D228-S245 CarbonylContact O-C 3.57Å; D228-S245 WeakPolarHBondContact O-CA 3.48Å; D228-S245 VanDerWaalsContact O-CB 3.24Å; D228-S245 WeakPolarHBondContact O-CB 3.23Å; D228-S245 PolarHBondContact O-OG 2.96Å; D228-D246 PolarHBondContact O-N 3.48Å
229	I	98.9	Very high	98.4	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	103	173.3	-61.8	170	0	0	0	108.3	M188 G202 A203 S207 A208 H225 V232 T243	M188-I229 WeakPolarHBondContact CB-O 3.41Å; G202-I229 CarbonylContact C-O 3.56Å; A203-I229 PolarHBondContact O-N 3.08Å; S207-I229 VanDerWaalsContact C-CD1 3.43Å; A208-I229 HydrophobicContact CB-CD1 4.31Å; H225-I229 HydrophobicContact CB-CD1 4.38Å; H225-I229 HydrophobicContact CB-CG1 4.12Å; I229-V232 HydrophobicContact CG2-CG1 3.79Å; I229-T243 HydrophobicContact CG2-CG2 4.23Å
230	N	98.8	Very high	98.4	Very high	32 Å²	32	42.6 Å²	42.6	17%	0.171	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-29.8	-177.2	-64.5	-42.6	0	0	0	113.2	S189 G244 D246 I273	S189-N230 VanDerWaalsContact CB-O 3.32Å; S189-N230 WeakPolarHBondContact CB-O 3.28Å; N230-G244 PolarHBondContact N-O 3.35Å; N230-D246 PolarHBondContact ND2-OD1 2.97Å; N230-I273 VanDerWaalsContact CB-O 3.29Å; N230-I273 WeakPolarHBondContact CB-O 3.49Å; N230-I273 PolarHBondContact ND2-O 3.35Å
231	A	98.8	Very high	98.4	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141.4	-172.5	0	0	0	0	0	111.9	T243 G244 V276	A231-T243 CarbonylContact O-C 3.55Å; A231-T243 VanDerWaalsContact O-CA 3.25Å; A231-T243 WeakPolarHBondContact O-CA 3.2Å; A231-G244 PolarHBondContact N-O 3.38Å; A231-G244 PolarHBondContact O-N 3.18Å; A231-V276 HydrophobicContact CB-CB 4.47Å; A231-V276 HydrophobicContact CB-CG1 4.37Å; A231-V276 HydrophobicContact CB-CG2 3.8Å
232	V	98.8	Very high	98.4	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.9	172.5	-58.5	0	0	0	0	110	V200 I229 A242 T243	V200-V232 HydrophobicContact CG2-CB 4.2Å; V200-V232 HydrophobicContact CG2-CG2 4.12Å; I229-V232 HydrophobicContact CG2-CG1 3.79Å; V232-A242 CarbonylContact C-O 3.55Å; V232-A242 WeakPolarHBondContact CA-O 3.17Å; V232-T243 HydrophobicContact CG1-CG2 3.96Å
233	A	98.8	Very high	98.4	Very high	13 Å²	13	38.2 Å²	38.2	11%	0.107	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	127.3	177.1	0	0	0	0	0	111.1	F241 A242 V276	A233-F241 CarbonylContact O-C 3.59Å; A233-F241 VanDerWaalsContact O-CA 3.26Å; A233-F241 WeakPolarHBondContact O-CA 3.33Å; A233-F241 WeakPolarHBondContact O-CB 3.08Å; A233-A242 PolarHBondContact N-O 3.44Å; A233-A242 PolarHBondContact O-N 2.91Å; A233-V276 HydrophobicContact CB-CG2 3.84Å
234	F	98.8	Very high	98.5	Very high	18 Å²	18	34.8 Å²	34.8	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	142.9	171.7	-95.4	-82.8	0	0	0	111.7	S191 L192 V200 L210 I255	S191-F234 WeakPolarHBondContact O-CD2 3.42Å; S191-F234 WeakPolarHBondContact O-CE2 3.06Å; S191-F234 PolarHBondContact OG-N 3.46Å; S191-F234 VanDerWaalsContact OG-N 3.12Å; L192-F234 WeakPolarHBondContact O-CD2 3.32Å; V200-F234 HydrophobicContact CB-CE2 4.14Å; V200-F234 HydrophobicContact CB-CZ 4.5Å; V200-F234 HydrophobicContact CG1-CE1 4.4Å; V200-F234 HydrophobicContact CG1-CE2 3.82Å; V200-F234 HydrophobicContact CG1-CZ 3.68Å; V200-F234 HydrophobicContact CG2-CD2 3.85Å; V200-F234 HydrophobicContact CG2-CE2 3.67Å; V200-F234 HydrophobicContact CG2-CZ 4.35Å; L210-F234 HydrophobicContact CD1-CZ 4.08Å; F234-I255 HydrophobicContact CE1-CD1 3.91Å
235	F	98.7	Very high	98.6	Very high	38 Å²	38	33.3 Å²	33.3	17%	0.167	17%	0.174	C	C	.	.			trans	-70.9	147.4	165.2	-168.8	-91.5	0	0	0	109.5	N237 G238 A240 F278 G282	F235-N237 HydrophobicContact CD1-CB 4.21Å; F235-N237 VanDerWaalsContact CD1-CG 3.49Å; F235-N237 VanDerWaalsContact CD1-OD1 3.31Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.39Å; F235-N237 HydrophobicContact CE1-CB 4.46Å; F235-N237 PolarHBondContact O-N 2.92Å; F235-G238 PolarHBondContact O-N 2.87Å; F235-A240 HydrophobicContact CB-CB 3.84Å; F235-A240 WeakPolarHBondContact CB-O 3.42Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 3.12Å; F235-F278 HydrophobicContact CB-CD2 4.42Å; F235-F278 HydrophobicContact CB-CE2 4.16Å; F235-F278 AromaticContact CD2-CD1 3.88Å; F235-F278 HydrophobicContact CD2-CD1 3.88Å; F235-F278 HydrophobicContact CD2-CD2 4.18Å; F235-F278 AromaticContact CD2-CE1 3.69Å; F235-F278 HydrophobicContact CD2-CE1 3.69Å; F235-F278 AromaticContact CD2-CE2 3.98Å; F235-F278 HydrophobicContact CD2-CE2 3.98Å; F235-F278 HydrophobicContact CD2-CG 4.12Å; F235-F278 AromaticContact CD2-CZ 3.73Å; F235-F278 HydrophobicContact CD2-CZ 3.73Å; F235-F278 HydrophobicContact CE2-CD1 4.14Å; F235-F278 HydrophobicContact CE2-CE1 4.06Å; F235-G282 VanDerWaalsContact CE2-CA 3.47Å; F235-G282 WeakPolarHBondContact CE2-O 3.17Å
236	P	98.1	Very high	98.6	Very high	59 Å²	59	35.9 Å²	35.9	38%	0.383	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.6	-171.7	-30.8	36	0	0	0	116.6	P194 F278	P194-P236 WeakPolarHBondContact CG-O 3.43Å; P236-F278 HydrophobicContact CG-CB 4.34Å
237	N	97.7	Very high	98.6	Very high	86 Å²	86	29.2 Å²	29.2	46%	0.46	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-8	179	72.5	8.4	0	0	0	114.4	F235 Y239	F235-N237 HydrophobicContact CD1-CB 4.21Å; F235-N237 VanDerWaalsContact CD1-CG 3.49Å; F235-N237 VanDerWaalsContact CD1-OD1 3.31Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.39Å; F235-N237 HydrophobicContact CE1-CB 4.46Å; F235-N237 PolarHBondContact O-N 2.92Å; N237-Y239 VanDerWaalsContact C-N 3.33Å; N237-Y239 HydrophobicContact CB-CD2 4.07Å; N237-Y239 WeakPolarHBondContact O-CD2 3.36Å; N237-Y239 PolarHBondContact O-N 3.29Å; N237-Y239 PolarHBondContact OD1-N 2.92Å
238	G	98.1	Very high	98.6	Very high	15 Å²	15	27.7 Å²	27.7	16%	0.155	15%	0.149	C	C	.	.	S	Bend	trans	78.8	1.3	179.9	0	0	0	0	0	116.4	F235 I255	F235-G238 PolarHBondContact O-N 2.87Å; G238-I255 WeakPolarHBondContact O-CD1 3.38Å
239	Y	98.3	Very high	98.6	Very high	136 Å²	136	25.9 Å²	25.9	53%	0.533	14%	0.139	S	C	.	.	S	Bend	trans	-98.9	-7.9	-178.3	-61.6	-64.4	0	0	0	114.3	N237 I255	N237-Y239 VanDerWaalsContact C-N 3.33Å; N237-Y239 HydrophobicContact CB-CD2 4.07Å; N237-Y239 WeakPolarHBondContact O-CD2 3.36Å; N237-Y239 PolarHBondContact O-N 3.29Å; N237-Y239 PolarHBondContact OD1-N 2.92Å; Y239-I255 WeakPolarHBondContact O-CB 3.4Å; Y239-I255 WeakPolarHBondContact O-CG1 3.28Å; Y239-I255 PolarHBondContact O-N 2.89Å
240	A	98.7	Very high	98.6	Very high	8 Å²	8	25.9 Å²	25.9	7%	0.066	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	166.8	179.5	0	0	0	0	0	110.1	F235 L252 F253	F235-A240 HydrophobicContact CB-CB 3.84Å; F235-A240 WeakPolarHBondContact CB-O 3.42Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 3.12Å; A240-L252 HydrophobicContact CB-CD1 3.89Å; A240-F253 CarbonylContact C-O 3.57Å; A240-F253 WeakPolarHBondContact CA-O 3.48Å; A240-F253 WeakPolarHBondContact CB-O 3.29Å
241	F	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.7	173.6	63	-86.4	0	0	0	110.8	V200 A208 F222 A233 T243 L252 F253 I255	V200-F241 HydrophobicContact CG1-CD1 3.9Å; V200-F241 HydrophobicContact CG1-CE1 4.12Å; V200-F241 HydrophobicContact CG1-CG 4.12Å; V200-F241 HydrophobicContact CG2-CB 4.27Å; V200-F241 HydrophobicContact CG2-CD2 4.38Å; V200-F241 HydrophobicContact CG2-CG 4.27Å; A208-F241 HydrophobicContact CB-CE2 3.74Å; A208-F241 HydrophobicContact CB-CZ 4.1Å; F222-F241 HydrophobicContact CB-CZ 4.12Å; F222-F241 HydrophobicContact CD1-CE1 4.3Å; F222-F241 HydrophobicContact CD1-CZ 4.08Å; F222-F241 AromaticContact CD2-CE1 3.9Å; F222-F241 HydrophobicContact CD2-CE1 3.9Å; F222-F241 AromaticContact CD2-CZ 3.5Å; F222-F241 HydrophobicContact CD2-CZ 3.5Å; F222-F241 HydrophobicContact CE1-CE1 4.12Å; F222-F241 HydrophobicContact CE1-CZ 4.35Å; F222-F241 AromaticContact CE2-CE1 3.72Å; F222-F241 HydrophobicContact CE2-CE1 3.72Å; F222-F241 AromaticContact CE2-CZ 3.84Å; F222-F241 HydrophobicContact CE2-CZ 3.84Å; F222-F241 HydrophobicContact CG-CE1 4.19Å; F222-F241 AromaticContact CG-CZ 3.64Å; F222-F241 HydrophobicContact CG-CZ 3.64Å; F222-F241 AromaticContact CZ-CE1 3.83Å; F222-F241 HydrophobicContact CZ-CE1 3.83Å; F222-F241 HydrophobicContact CZ-CZ 4.25Å; A233-F241 CarbonylContact O-C 3.59Å; A233-F241 VanDerWaalsContact O-CA 3.26Å; A233-F241 WeakPolarHBondContact O-CA 3.33Å; A233-F241 WeakPolarHBondContact O-CB 3.08Å; F241-T243 HydrophobicContact CD2-CG2 3.83Å; F241-T243 HydrophobicContact CE2-CG2 3.69Å; F241-L252 WeakPolarHBondContact O-CD1 3.42Å; F241-F253 HydrophobicContact CD1-CB 4.15Å; F241-F253 HydrophobicContact CD2-CB 4.35Å; F241-F253 HydrophobicContact CD2-CD2 4.27Å; F241-F253 HydrophobicContact CE1-CB 3.61Å; F241-F253 HydrophobicContact CE1-CG 4.46Å; F241-F253 HydrophobicContact CE2-CB 3.84Å; F241-F253 AromaticContact CE2-CD2 3.6Å; F241-F253 HydrophobicContact CE2-CD2 3.6Å; F241-F253 HydrophobicContact CE2-CE2 4.47Å; F241-F253 AromaticContact CE2-CG 3.96Å; F241-F253 HydrophobicContact CE2-CG 3.96Å; F241-F253 HydrophobicContact CG-CB 4.49Å; F241-F253 HydrophobicContact CZ-CB 3.44Å; F241-F253 VanDerWaalsContact CZ-CB 3.44Å; F241-F253 AromaticContact CZ-CD2 3.95Å; F241-F253 HydrophobicContact CZ-CD2 3.95Å; F241-F253 AromaticContact CZ-CG 3.8Å; F241-F253 HydrophobicContact CZ-CG 3.8Å; F241-F253 PolarHBondContact N-O 2.79Å; F241-F253 PolarHBondContact O-N 3.19Å; F241-I255 HydrophobicContact CD1-CG1 4.36Å; F241-I255 HydrophobicContact CE1-CG1 4.45Å
242	A	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	154.9	170.9	0	0	0	0	0	111.1	V232 A233 R251 F278 L285	V232-A242 CarbonylContact C-O 3.55Å; V232-A242 WeakPolarHBondContact CA-O 3.17Å; A233-A242 PolarHBondContact N-O 3.44Å; A233-A242 PolarHBondContact O-N 2.91Å; A242-R251 CarbonylContact C-O 3.53Å; A242-R251 VanDerWaalsContact CA-O 3.22Å; A242-R251 WeakPolarHBondContact CA-O 3.35Å; A242-F278 HydrophobicContact CB-CE2 3.45Å; A242-F278 VanDerWaalsContact CB-CE2 3.45Å; A242-F278 HydrophobicContact CB-CZ 3.47Å; A242-F278 VanDerWaalsContact CB-CZ 3.47Å; A242-L285 HydrophobicContact CB-CD1 3.75Å; A242-L285 HydrophobicContact CB-CD2 4.22Å
243	T	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.3	175.8	52.2	0	0	0	0	109.3	A208 H225 I229 A231 V232 F241 C250 R251 F253	A208-T243 HydrophobicContact CB-CG2 4.27Å; H225-T243 PolarHBondContact NE2-OG1 3.02Å; I229-T243 HydrophobicContact CG2-CG2 4.23Å; A231-T243 CarbonylContact O-C 3.55Å; A231-T243 VanDerWaalsContact O-CA 3.25Å; A231-T243 WeakPolarHBondContact O-CA 3.2Å; V232-T243 HydrophobicContact CG1-CG2 3.96Å; F241-T243 HydrophobicContact CD2-CG2 3.83Å; F241-T243 HydrophobicContact CE2-CG2 3.69Å; T243-C250 CarbonylContact O-C 3.58Å; T243-C250 WeakPolarHBondContact O-CA 3.45Å; T243-C250 VanDerWaalsContact O-CB 3.31Å; T243-C250 WeakPolarHBondContact O-CB 3.39Å; T243-R251 PolarHBondContact N-O 3.1Å; T243-R251 PolarHBondContact O-N 3.12Å; T243-R251 PolarHBondContact OG1-O 2.88Å; T243-R251 VanDerWaalsContact OG1-O 3.08Å; T243-F253 HydrophobicContact CG2-CD2 4.05Å; T243-F253 HydrophobicContact CG2-CE2 3.96Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.31Å
244	G	98.8	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.8	172.5	0	0	0	0	0	109.9	N230 A231	N230-G244 PolarHBondContact N-O 3.35Å; A231-G244 PolarHBondContact N-O 3.38Å; A231-G244 PolarHBondContact O-N 3.18Å
245	S	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.2	-169.2	175.9	0	0	0	0	113.2	H225 S227 D228 D247 A248 T249 I273	H225-S245 WeakPolarHBondContact CE1-CB 3.41Å; H225-S245 WeakPolarHBondContact ND1-CB 3.38Å; S227-S245 PolarHBondContact O-OG 3.39Å; D228-S245 CarbonylContact O-C 3.57Å; D228-S245 WeakPolarHBondContact O-CA 3.48Å; D228-S245 VanDerWaalsContact O-CB 3.24Å; D228-S245 WeakPolarHBondContact O-CB 3.23Å; D228-S245 PolarHBondContact O-OG 2.96Å; S245-D247 WeakPolarHBondContact CB-OD1 3.49Å; S245-D247 PolarHBondContact O-N 2.82Å; S245-D247 PolarHBondContact OG-N 3.06Å; S245-D247 PolarHBondContact OG-OD1 3.34Å; S245-A248 PolarHBondContact O-N 2.89Å; S245-T249 PolarHBondContact N-O 2.95Å; S245-I273 PolarHBondContact O-N 2.81Å
246	D	98.7	Very high	98.6	Very high	68 Å²	68	33.7 Å²	33.7	36%	0.364	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.2	168	-79.4	-17.2	0	0	0	113.8	D228 N230 A248	D228-D246 PolarHBondContact O-N 3.48Å; N230-D246 PolarHBondContact ND2-OD1 2.97Å; D246-A248 PolarHBondContact O-N 2.81Å; D246-A248 VanDerWaalsContact O-N 3.14Å
247	D	98.4	Very high	98.6	Very high	31 Å²	31	32.5 Å²	32.5	17%	0.166	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	10.7	170	73.4	10.7	0	0	0	113.9	H225 E226 S245 T249 R251	H225-D247 WeakPolarHBondContact CA-OD2 3.3Å; H225-D247 IonicContact CE1-OD1 2.74Å; H225-D247 IonicContact CE1-OD2 2.95Å; H225-D247 IonicContact CG-OD2 3.25Å; H225-D247 VanDerWaalsContact ND1-CG 3.34Å; H225-D247 IonicContact ND1-OD1 3.61Å; H225-D247 PolarHBondContact ND1-OD1 2.96Å; H225-D247 IonicContact ND1-OD2 3.62Å; H225-D247 PolarHBondContact ND1-OD2 3.46Å; E226-D247 HydrophobicContact CB-CB 4.08Å; E226-D247 PolarHBondContact N-OD2 3.31Å; S245-D247 WeakPolarHBondContact CB-OD1 3.49Å; S245-D247 PolarHBondContact O-N 2.82Å; S245-D247 PolarHBondContact OG-N 3.06Å; S245-D247 PolarHBondContact OG-OD1 3.34Å; D247-T249 VanDerWaalsContact CG-OG1 3.31Å; D247-T249 PolarHBondContact O-N 3.48Å; D247-T249 WeakPolarHBondContact OD1-CB 3.38Å; D247-T249 PolarHBondContact OD1-N 2.82Å; D247-T249 PolarHBondContact OD1-OG1 3.12Å; D247-T249 PolarHBondContact OD2-OG1 2.77Å; D247-R251 IonicContact OD2-NH2 3.84Å
248	A	98.5	Very high	98.6	Very high	11 Å²	11	30.1 Å²	30.1	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	62.8	12.2	-178.2	0	0	0	0	0	115.2	S245 D246 I269 C271	S245-A248 PolarHBondContact O-N 2.89Å; D246-A248 PolarHBondContact O-N 2.81Å; D246-A248 VanDerWaalsContact O-N 3.14Å; A248-I269 HydrophobicContact CB-CG2 4.44Å; A248-C271 WeakPolarHBondContact CA-O 3.35Å; A248-C271 VanDerWaalsContact CB-O 3.3Å; A248-C271 WeakPolarHBondContact CB-O 3.48Å
249	T	98.6	Very high	98.6	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.086	15%	0.146	C	C	.	.			trans	-110.4	144.2	177.5	75.3	0	0	0	0	112.3	H225 S245 D247 R251 M263 I273	H225-T249 PolarHBondContact CE1-O 3.36Å; H225-T249 PolarHBondContact CE1-OG1 3.11Å; H225-T249 VanDerWaalsContact CE1-OG1 3.29Å; H225-T249 PolarHBondContact ND1-OG1 2.87Å; S245-T249 PolarHBondContact N-O 2.95Å; D247-T249 VanDerWaalsContact CG-OG1 3.31Å; D247-T249 PolarHBondContact O-N 3.48Å; D247-T249 WeakPolarHBondContact OD1-CB 3.38Å; D247-T249 PolarHBondContact OD1-N 2.82Å; D247-T249 PolarHBondContact OD1-OG1 3.12Å; D247-T249 PolarHBondContact OD2-OG1 2.77Å; T249-R251 PolarHBondContact OG1-NE 3.38Å; T249-M263 HydrophobicContact CG2-CG 4.15Å; T249-M263 HydrophobicContact CG2-SD 4.01Å; T249-I273 WeakPolarHBondContact O-CD1 3.38Å
250	C	98.8	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.7	156.9	-60.3	0	0	0	0	108.9	T243 Y264 I273 L285 A287	T243-C250 CarbonylContact O-C 3.58Å; T243-C250 WeakPolarHBondContact O-CA 3.45Å; T243-C250 VanDerWaalsContact O-CB 3.31Å; T243-C250 WeakPolarHBondContact O-CB 3.39Å; C250-Y264 HydrophobicContact CB-CD2 3.9Å; C250-Y264 HydrophobicContact CB-CG 4.47Å; C250-Y264 PolarHBondContact N-O 2.88Å; C250-Y264 WeakPolarHBondContact O-CD2 3.01Å; C250-Y264 PolarHBondContact O-N 2.76Å; C250-I273 WeakPolarHBondContact SG-CD1 3.38Å; C250-L285 HydrophobicContact CB-CD2 3.97Å; C250-A287 VanDerWaalsContact SG-CB 3.55Å
251	R	98.8	Very high	98.6	Very high	21 Å²	21	29.2 Å²	29.2	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.1	174.4	-67	174.3	-171.5	-140.5	14.9	111.8	G224 H225 A242 T243 D247 T249 F253 E260 A262 M263	G224-R251 VanDerWaalsContact CA-NH1 3.33Å; G224-R251 PolarHBondContact O-NH1 3.06Å; G224-R251 PolarHBondContact O-NH2 3.47Å; H225-R251 VanDerWaalsContact CE1-CD 3.49Å; H225-R251 WeakPolarHBondContact CE1-CD 3.44Å; H225-R251 PolarHBondContact ND1-NE 3.34Å; A242-R251 CarbonylContact C-O 3.53Å; A242-R251 VanDerWaalsContact CA-O 3.22Å; A242-R251 WeakPolarHBondContact CA-O 3.35Å; T243-R251 PolarHBondContact N-O 3.1Å; T243-R251 PolarHBondContact O-N 3.12Å; T243-R251 PolarHBondContact OG1-O 2.88Å; T243-R251 VanDerWaalsContact OG1-O 3.08Å; D247-R251 IonicContact OD2-NH2 3.84Å; T249-R251 PolarHBondContact OG1-NE 3.38Å; R251-F253 HydrophobicContact CB-CD2 4.28Å; R251-F253 HydrophobicContact CB-CE2 3.6Å; R251-F253 HydrophobicContact CB-CZ 4.02Å; R251-E260 HydrophobicContact CB-CG 4.2Å; R251-E260 VanDerWaalsContact CD-OE2 3.27Å; R251-E260 WeakPolarHBondContact CD-OE2 3.26Å; R251-E260 HydrophobicContact CG-CG 4.41Å; R251-E260 IonicContact CZ-OE2 2.76Å; R251-E260 IonicContact NE-OE2 3.19Å; R251-E260 IonicContact NH1-OE2 3.89Å; R251-E260 PolarHBondContact NH1-OE2 2.97Å; R251-A262 WeakPolarHBondContact CA-O 3.4Å; R251-M263 HydrophobicContact CG-CG 4.35Å
252	L	98.8	Very high	98.5	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.5	171.8	175.5	60.8	0	0	0	109.2	L30 A240 F241 E260 L261 A262 Y264 F278	L30-L252 HydrophobicContact CD2-CD2 3.91Å; A240-L252 HydrophobicContact CB-CD1 3.89Å; F241-L252 WeakPolarHBondContact O-CD1 3.42Å; L252-E260 CarbonylContact O-C 3.5Å; L252-E260 WeakPolarHBondContact O-CA 3.45Å; L252-L261 HydrophobicContact CD2-CB 4.48Å; L252-L261 HydrophobicContact CG-CB 4.39Å; L252-L261 PolarHBondContact O-N 2.85Å; L252-A262 HydrophobicContact CB-CB 4.25Å; L252-A262 PolarHBondContact N-O 3.07Å; L252-A262 PolarHBondContact O-N 3.03Å; L252-Y264 HydrophobicContact CB-CE2 3.97Å; L252-F278 HydrophobicContact CD1-CZ 4.03Å
253	F	98.8	Very high	98.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143	176.4	-66.8	-87.2	0	0	0	110.6	F222 A240 F241 T243 R251 E260	F222-F253 HydrophobicContact CB-CD1 3.87Å; F222-F253 HydrophobicContact CB-CE1 3.98Å; F222-F253 HydrophobicContact CB-CG 4.32Å; F222-F253 HydrophobicContact CD1-CB 4.13Å; F222-F253 AromaticContact CD1-CD1 3.89Å; F222-F253 HydrophobicContact CD1-CD1 3.89Å; F222-F253 HydrophobicContact CD1-CG 4.27Å; F222-F253 HydrophobicContact CG-CD1 4.25Å; A240-F253 CarbonylContact C-O 3.57Å; A240-F253 WeakPolarHBondContact CA-O 3.48Å; A240-F253 WeakPolarHBondContact CB-O 3.29Å; F241-F253 HydrophobicContact CD1-CB 4.15Å; F241-F253 HydrophobicContact CD2-CB 4.35Å; F241-F253 HydrophobicContact CD2-CD2 4.27Å; F241-F253 HydrophobicContact CE1-CB 3.61Å; F241-F253 HydrophobicContact CE1-CG 4.46Å; F241-F253 HydrophobicContact CE2-CB 3.84Å; F241-F253 AromaticContact CE2-CD2 3.6Å; F241-F253 HydrophobicContact CE2-CD2 3.6Å; F241-F253 HydrophobicContact CE2-CE2 4.47Å; F241-F253 AromaticContact CE2-CG 3.96Å; F241-F253 HydrophobicContact CE2-CG 3.96Å; F241-F253 HydrophobicContact CG-CB 4.49Å; F241-F253 HydrophobicContact CZ-CB 3.44Å; F241-F253 VanDerWaalsContact CZ-CB 3.44Å; F241-F253 AromaticContact CZ-CD2 3.95Å; F241-F253 HydrophobicContact CZ-CD2 3.95Å; F241-F253 AromaticContact CZ-CG 3.8Å; F241-F253 HydrophobicContact CZ-CG 3.8Å; F241-F253 PolarHBondContact N-O 2.79Å; F241-F253 PolarHBondContact O-N 3.19Å; T243-F253 HydrophobicContact CG2-CD2 4.05Å; T243-F253 HydrophobicContact CG2-CE2 3.96Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.31Å; R251-F253 HydrophobicContact CB-CD2 4.28Å; R251-F253 HydrophobicContact CB-CE2 3.6Å; R251-F253 HydrophobicContact CB-CZ 4.02Å; F253-E260 HydrophobicContact CD1-CB 3.96Å; F253-E260 HydrophobicContact CE1-CB 3.73Å; F253-E260 HydrophobicContact CE1-CG 4.37Å; F253-E260 HydrophobicContact CZ-CB 4.4Å
254	D	98.7	Very high	98.4	Very high	22 Å²	22	33 Å²	33	12%	0.118	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	170.6	-178.6	-70	0	0	0	110.4	R256 A257 D258 Q259 L261	D254-R256 VanDerWaalsContact C-N 3.35Å; D254-R256 PolarHBondContact O-N 2.79Å; D254-R256 WeakPolarHBondContact OD1-CA 3.37Å; D254-R256 WeakPolarHBondContact OD1-CB 3.45Å; D254-R256 PolarHBondContact OD1-N 2.9Å; D254-A257 HydrophobicContact CB-CB 3.93Å; D254-A257 PolarHBondContact OD1-N 3.02Å; D254-D258 PolarHBondContact O-N 3.12Å; D254-Q259 PolarHBondContact N-O 2.99Å; D254-Q259 VanDerWaalsContact N-O 3.13Å; D254-L261 HydrophobicContact CB-CD1 3.62Å; D254-L261 HydrophobicContact CB-CD2 3.98Å; D254-L261 HydrophobicContact CB-CG 3.72Å
255	I	98.6	Very high	98.3	Very high	28 Å²	28	35.4 Å²	35.4	14%	0.144	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-37.5	-175	-69.1	175.3	0	0	0	111.1	L210 Q220 F222 F234 G238 Y239 F241	L210-I255 HydrophobicContact CD1-CD1 4.34Å; L210-I255 HydrophobicContact CD2-CD1 4.26Å; L210-I255 HydrophobicContact CD2-CG1 4.4Å; L210-I255 HydrophobicContact CD2-CG2 3.85Å; Q220-I255 PolarHBondContact NE2-O 3Å; Q220-I255 PolarHBondContact OE1-O 2.86Å; F222-I255 HydrophobicContact CZ-CG1 4.49Å; F234-I255 HydrophobicContact CE1-CD1 3.91Å; G238-I255 WeakPolarHBondContact O-CD1 3.38Å; Y239-I255 WeakPolarHBondContact O-CB 3.4Å; Y239-I255 WeakPolarHBondContact O-CG1 3.28Å; Y239-I255 PolarHBondContact O-N 2.89Å; F241-I255 HydrophobicContact CD1-CG1 4.36Å; F241-I255 HydrophobicContact CE1-CG1 4.45Å
256	R	98.4	Very high	98.1	Very high	197 Å²	197	38.6 Å²	38.6	74%	0.743	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-33.5	-177.9	-59.6	-179.9	-62.1	163	3.5	111.7	D254	D254-R256 VanDerWaalsContact C-N 3.35Å; D254-R256 PolarHBondContact O-N 2.79Å; D254-R256 WeakPolarHBondContact OD1-CA 3.37Å; D254-R256 WeakPolarHBondContact OD1-CB 3.45Å; D254-R256 PolarHBondContact OD1-N 2.9Å
257	A	98.1	Very high	97.7	Very high	34 Å²	34	42.7 Å²	42.7	28%	0.281	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.7	173.6	0	0	0	0	0	112.5	D254 Q259 L261	D254-A257 HydrophobicContact CB-CB 3.93Å; D254-A257 PolarHBondContact OD1-N 3.02Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.41Å; A257-Q259 PolarHBondContact O-N 3.3Å; A257-L261 HydrophobicContact CB-CD2 4.31Å
258	D	98.5	Very high	97.4	Very high	37 Å²	37	47.9 Å²	47.9	20%	0.198	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	25	-176.7	-167.3	63.2	0	0	0	113	R22 Q220 D254	R22-D258 WeakPolarHBondContact CD-O 3.44Å; R22-D258 IonicContact CZ-OD2 2.77Å; R22-D258 PolarHBondContact NE-O 2.71Å; R22-D258 IonicContact NE-OD2 3.53Å; R22-D258 PolarHBondContact NE-OD2 3.39Å; R22-D258 PolarHBondContact NH2-O 3.42Å; R22-D258 IonicContact NH2-OD1 3.75Å; R22-D258 IonicContact NH2-OD2 3.18Å; R22-D258 PolarHBondContact NH2-OD2 2.84Å; Q220-D258 WeakPolarHBondContact CG-OD1 3.35Å; Q220-D258 PolarHBondContact NE2-OD1 3.44Å; D254-D258 PolarHBondContact O-N 3.12Å
259	Q	98.1	Very high	97.2	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.131	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	171.1	-175.6	68.2	-171.3	-42.6	0	0	112.3	R22 D254 A257	R22-Q259 HydrophobicContact CG-CB 4.48Å; R22-Q259 PolarHBondContact O-NE2 2.88Å; R22-Q259 PolarHBondContact O-OE1 3.43Å; D254-Q259 PolarHBondContact N-O 2.99Å; D254-Q259 VanDerWaalsContact N-O 3.13Å; A257-Q259 HydrophobicContact CB-CG 4.07Å; A257-Q259 WeakPolarHBondContact O-CG 3.41Å; A257-Q259 PolarHBondContact O-N 3.3Å
260	E	98.1	Very high	97	Very high	54 Å²	54	54.9 Å²	54.9	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.3	174.7	-172.3	-170.6	139.3	0	0	111.1	R251 L252 F253 M263	R251-E260 HydrophobicContact CB-CG 4.2Å; R251-E260 VanDerWaalsContact CD-OE2 3.27Å; R251-E260 WeakPolarHBondContact CD-OE2 3.26Å; R251-E260 HydrophobicContact CG-CG 4.41Å; R251-E260 IonicContact CZ-OE2 2.76Å; R251-E260 IonicContact NE-OE2 3.19Å; R251-E260 IonicContact NH1-OE2 3.89Å; R251-E260 PolarHBondContact NH1-OE2 2.97Å; L252-E260 CarbonylContact O-C 3.5Å; L252-E260 WeakPolarHBondContact O-CA 3.45Å; F253-E260 HydrophobicContact CD1-CB 3.96Å; F253-E260 HydrophobicContact CE1-CB 3.73Å; F253-E260 HydrophobicContact CE1-CG 4.37Å; F253-E260 HydrophobicContact CZ-CB 4.4Å; E260-M263 WeakPolarHBondContact OE1-CB 3.31Å; E260-M263 PolarHBondContact OE1-N 3.16Å
261	L	97.8	Very high	96.9	Very high	58 Å²	58	56.2 Å²	56.2	30%	0.304	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-31.2	172.2	-63.4	-168.2	0	0	0	113.3	L30 L252 D254 A257	L30-L261 HydrophobicContact CB-CB 4.47Å; L30-L261 WeakPolarHBondContact CB-O 3.36Å; L252-L261 HydrophobicContact CD2-CB 4.48Å; L252-L261 HydrophobicContact CG-CB 4.39Å; L252-L261 PolarHBondContact O-N 2.85Å; D254-L261 HydrophobicContact CB-CD1 3.62Å; D254-L261 HydrophobicContact CB-CD2 3.98Å; D254-L261 HydrophobicContact CB-CG 3.72Å; A257-L261 HydrophobicContact CB-CD2 4.31Å
262	A	97.9	Very high	96.9	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	145.6	-174.6	0	0	0	0	0	112.7	L30 R251 L252 Y264 Q302	L30-A262 HydrophobicContact CB-CB 4.5Å; L30-A262 HydrophobicContact CD2-CB 3.88Å; R251-A262 WeakPolarHBondContact CA-O 3.4Å; L252-A262 HydrophobicContact CB-CB 4.25Å; L252-A262 PolarHBondContact N-O 3.07Å; L252-A262 PolarHBondContact O-N 3.03Å; A262-Y264 HydrophobicContact CB-CE1 4.47Å; A262-Y264 HydrophobicContact CB-CE2 4.23Å; A262-Q302 HydrophobicContact CB-CG 3.96Å; A262-Q302 VanDerWaalsContact CB-NE2 3.32Å
263	M	98	Very high	96.9	Very high	76 Å²	76	55 Å²	55	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.1	171.3	-171.7	175.2	65.3	0	0	109.3	T249 R251 E260	T249-M263 HydrophobicContact CG2-CG 4.15Å; T249-M263 HydrophobicContact CG2-SD 4.01Å; R251-M263 HydrophobicContact CG-CG 4.35Å; E260-M263 WeakPolarHBondContact OE1-CB 3.31Å; E260-M263 PolarHBondContact OE1-N 3.16Å
264	Y	98.1	Very high	96.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.1	175.6	-47.2	-87.1	0	0	0	108.6	C250 L252 A262 L285 W297 S299 Q302	C250-Y264 HydrophobicContact CB-CD2 3.9Å; C250-Y264 HydrophobicContact CB-CG 4.47Å; C250-Y264 PolarHBondContact N-O 2.88Å; C250-Y264 WeakPolarHBondContact O-CD2 3.01Å; C250-Y264 PolarHBondContact O-N 2.76Å; L252-Y264 HydrophobicContact CB-CE2 3.97Å; A262-Y264 HydrophobicContact CB-CE1 4.47Å; A262-Y264 HydrophobicContact CB-CE2 4.23Å; Y264-L285 HydrophobicContact CD2-CD2 3.63Å; Y264-L285 HydrophobicContact CE2-CD2 3.65Å; Y264-L285 HydrophobicContact CG-CD2 4.25Å; Y264-W297 HydrophobicContact CD1-CB 4.06Å; Y264-W297 HydrophobicContact CD1-CE3 4.47Å; Y264-W297 HydrophobicContact CD1-CG 4.42Å; Y264-W297 HydrophobicContact CG-CB 4.5Å; Y264-W297 HydrophobicContact CG-CG 4.47Å; Y264-S299 WeakPolarHBondContact OH-CA 3.23Å; Y264-S299 PolarHBondContact OH-O 2.94Å; Y264-Q302 HydrophobicContact CD1-CB 4.2Å; Y264-Q302 HydrophobicContact CD1-CG 4.34Å; Y264-Q302 HydrophobicContact CE1-CB 4.32Å; Y264-Q302 HydrophobicContact CE1-CG 4.04Å
265	S	96.6	Very high	96.9	Very high	51 Å²	51	55.6 Å²	55.6	36%	0.357	29%	0.288	S	S	.	.			trans	-148.3	164.4	-177.8	63.1	0	0	0	0	110.1
266	H	93.5	Very high	96.9	Very high	66 Å²	66	54.9 Å²	54.9	31%	0.306	29%	0.285	S	S	.	.			trans	-153	134.7	174.1	-175.9	-62.7	0	0	0	108.5	N268 I269 W297	H266-N268 PolarHBondContact ND1-N 2.96Å; H266-N268 PolarHBondContact O-N 3.49Å; H266-I269 HydrophobicContact CB-CD1 3.92Å; H266-I269 HydrophobicContact CB-CG1 4.1Å; H266-I269 WeakPolarHBondContact O-CB 3.23Å; H266-I269 PolarHBondContact O-N 2.91Å; H266-W297 HydrophobicContact CB-CH2 3.98Å
267	D	90.3	Very high	96.9	Very high	154 Å²	154	46.1 Å²	46.1	82%	0.824	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.5	-170.2	-60.2	-23.1	0	0	0	114.8	I269	D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 3.13Å
268	N	92.7	Very high	97	Very high	140 Å²	140	45.3 Å²	45.3	75%	0.749	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.8	177.1	-62.2	-21.1	0	0	0	115.1	H266	H266-N268 PolarHBondContact ND1-N 2.96Å; H266-N268 PolarHBondContact O-N 3.49Å
269	I	93.6	Very high	97	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.092	24%	0.241	C	C	.	.			trans	-103.3	107.9	179.7	-57.3	178.6	0	0	0	107.9	A248 H266 D267 Y289 W297	A248-I269 HydrophobicContact CB-CG2 4.44Å; H266-I269 HydrophobicContact CB-CD1 3.92Å; H266-I269 HydrophobicContact CB-CG1 4.1Å; H266-I269 WeakPolarHBondContact O-CB 3.23Å; H266-I269 PolarHBondContact O-N 2.91Å; D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 3.13Å; I269-Y289 HydrophobicContact CD1-CE1 4.47Å; I269-Y289 HydrophobicContact CG2-CD1 3.74Å; I269-Y289 HydrophobicContact CG2-CE1 3.61Å; I269-W297 HydrophobicContact CD1-CH2 4.3Å; I269-W297 HydrophobicContact CD1-CZ2 4.05Å
270	I	95.1	Very high	97	Very high	155 Å²	155	49.1 Å²	49.1	80%	0.795	26%	0.261	S	S	*	.			trans	-120.5	14.7	-179.4	59.1	164.5	0	0	0	112.5
271	C	97.2	Very high	97	Very high	28 Å²	28	50.9 Å²	50.9	19%	0.189	28%	0.279	C	S	.	.	S	Bend	trans	-113	153.9	-174.6	70.9	0	0	0	0	110.6	A248 D290	A248-C271 WeakPolarHBondContact CA-O 3.35Å; A248-C271 VanDerWaalsContact CB-O 3.3Å; A248-C271 WeakPolarHBondContact CB-O 3.48Å; C271-D290 HydrophobicContact CB-CB 3.9Å
272	G	97.9	Very high	97	Very high	6 Å²	6	48.1 Å²	48.1	6%	0.062	27%	0.265	C	S	.	.			trans	-66.5	153.3	-176.6	0	0	0	0	0	113.4	D290	G272-D290 PolarHBondContact O-N 3.06Å
273	I	98.8	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.2	172.9	-65.7	142.5	0	0	0	108.8	N230 S245 T249 C250 V276 A287 G288 Y289	N230-I273 VanDerWaalsContact CB-O 3.29Å; N230-I273 WeakPolarHBondContact CB-O 3.49Å; N230-I273 PolarHBondContact ND2-O 3.35Å; S245-I273 PolarHBondContact O-N 2.81Å; T249-I273 WeakPolarHBondContact O-CD1 3.38Å; C250-I273 WeakPolarHBondContact SG-CD1 3.38Å; I273-V276 HydrophobicContact CG2-CG1 3.9Å; I273-A287 HydrophobicContact CG2-CB 4.28Å; I273-G288 WeakPolarHBondContact CA-O 3.39Å; I273-Y289 HydrophobicContact CD1-CE1 3.81Å; I273-Y289 HydrophobicContact CG1-CD1 3.6Å; I273-Y289 HydrophobicContact CG1-CE1 3.2Å; I273-Y289 HydrophobicContact CG1-CE2 4.4Å; I273-Y289 HydrophobicContact CG1-CG 4.36Å
274	T	98.8	Very high	97	Very high	26 Å²	26	48.5 Å²	48.5	16%	0.16	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-26.6	-176.5	63.5	0	0	0	0	113.3	G288 D290 R314 V315	T274-G288 PolarHBondContact N-O 3.2Å; T274-G288 PolarHBondContact OG1-O 2.91Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.37Å; T274-R314 HydrophobicContact CG2-CG 3.95Å; T274-V315 WeakPolarHBondContact CB-O 3.45Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 3.08Å
275	S	98.7	Very high	97	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	145.5	-169.5	53.3	0	0	0	0	111.1	A287 G288 L318	S275-A287 CarbonylContact O-C 3.5Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.11Å; S275-G288 PolarHBondContact O-N 3.01Å; S275-L318 WeakPolarHBondContact OG-CD2 3.29Å; S275-L318 WeakPolarHBondContact OG-CG 3.35Å
276	V	98.8	Very high	97.1	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145	179.8	-66.7	0	0	0	0	110.6	A231 A233 I273 L285 F286 A287	A231-V276 HydrophobicContact CB-CB 4.47Å; A231-V276 HydrophobicContact CB-CG1 4.37Å; A231-V276 HydrophobicContact CB-CG2 3.8Å; A233-V276 HydrophobicContact CB-CG2 3.84Å; I273-V276 HydrophobicContact CG2-CG1 3.9Å; V276-L285 HydrophobicContact CB-CD1 4.24Å; V276-F286 CarbonylContact C-O 3.57Å; V276-F286 VanDerWaalsContact CA-O 3.28Å; V276-F286 WeakPolarHBondContact CA-O 3.23Å; V276-A287 HydrophobicContact CG1-CB 4.18Å
277	A	98.8	Very high	97.4	Very high	14 Å²	14	43.2 Å²	43.2	12%	0.116	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	148.8	170.5	0	0	0	0	0	111.4	F286 L318 V320	A277-F286 PolarHBondContact N-O 2.81Å; A277-F286 PolarHBondContact O-N 2.98Å; A277-L318 HydrophobicContact CB-CD1 3.3Å; A277-V320 HydrophobicContact CB-CG2 4.09Å
278	F	98.8	Very high	97.8	Very high	16 Å²	16	35.9 Å²	35.9	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.8	174.1	-74.8	-75.9	0	0	0	112.2	F235 P236 A242 L252 L284 L285 V320	F235-F278 HydrophobicContact CB-CD2 4.42Å; F235-F278 HydrophobicContact CB-CE2 4.16Å; F235-F278 AromaticContact CD2-CD1 3.88Å; F235-F278 HydrophobicContact CD2-CD1 3.88Å; F235-F278 HydrophobicContact CD2-CD2 4.18Å; F235-F278 AromaticContact CD2-CE1 3.69Å; F235-F278 HydrophobicContact CD2-CE1 3.69Å; F235-F278 AromaticContact CD2-CE2 3.98Å; F235-F278 HydrophobicContact CD2-CE2 3.98Å; F235-F278 HydrophobicContact CD2-CG 4.12Å; F235-F278 AromaticContact CD2-CZ 3.73Å; F235-F278 HydrophobicContact CD2-CZ 3.73Å; F235-F278 HydrophobicContact CE2-CD1 4.14Å; F235-F278 HydrophobicContact CE2-CE1 4.06Å; P236-F278 HydrophobicContact CG-CB 4.34Å; A242-F278 HydrophobicContact CB-CE2 3.45Å; A242-F278 VanDerWaalsContact CB-CE2 3.45Å; A242-F278 HydrophobicContact CB-CZ 3.47Å; A242-F278 VanDerWaalsContact CB-CZ 3.47Å; L252-F278 HydrophobicContact CD1-CZ 4.03Å; F278-L284 CarbonylContact C-O 3.57Å; F278-L284 WeakPolarHBondContact CA-O 3.39Å; F278-L285 HydrophobicContact CD1-CB 4.26Å; F278-L285 HydrophobicContact CD1-CD1 4.26Å; F278-L285 HydrophobicContact CE1-CB 4.02Å; F278-L285 HydrophobicContact CE1-CD1 4.01Å; F278-L285 HydrophobicContact CE1-CG 4.48Å; F278-L285 HydrophobicContact CE2-CD1 4.39Å; F278-L285 HydrophobicContact CZ-CD1 4.08Å; F278-V320 WeakPolarHBondContact O-CG2 3.37Å
279	S	98.7	Very high	98.1	Very high	16 Å²	16	29.2 Å²	29.2	11%	0.112	16%	0.159	C	C	.	.			trans	-64.3	163.1	158.5	65.9	0	0	0	0	110.9	S281 G282 R283 L284	S279-S281 PolarHBondContact O-N 3.15Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S279-S281 PolarHBondContact OG-OG 2.54Å; S279-G282 WeakPolarHBondContact O-CA 3.33Å; S279-G282 PolarHBondContact O-N 3.42Å; S279-R283 PolarHBondContact OG-N 2.77Å; S279-L284 PolarHBondContact N-O 3.05Å; S279-L284 PolarHBondContact OG-N 2.91Å; S279-L284 VanDerWaalsContact OG-N 3.12Å
280	K	98.2	Very high	98.3	Very high	129 Å²	129	30.1 Å²	30.1	56%	0.561	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.8	179.1	-175.5	173.9	-170.6	67.5	0	114	G282 E322 D323	K280-G282 VanDerWaalsContact C-N 3.33Å; K280-E322 PolarHBondContact NZ-O 3.3Å; K280-D323 WeakPolarHBondContact CD-O 3.37Å
281	S	97.8	Very high	98.4	Very high	91 Å²	91	25.5 Å²	25.5	64%	0.636	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.2	177	63.1	0	0	0	0	113.6	S279 R283	S279-S281 PolarHBondContact O-N 3.15Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S279-S281 PolarHBondContact OG-OG 2.54Å; S281-R283 PolarHBondContact O-N 2.89Å; S281-R283 WeakPolarHBondContact OG-CB 3.31Å; S281-R283 PolarHBondContact OG-N 3.28Å
282	G	97.9	Very high	98.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	76.1	-2.2	-170.2	0	0	0	0	0	114.5	F235 S279 K280 L284 S299	F235-G282 VanDerWaalsContact CE2-CA 3.47Å; F235-G282 WeakPolarHBondContact CE2-O 3.17Å; S279-G282 WeakPolarHBondContact O-CA 3.33Å; S279-G282 PolarHBondContact O-N 3.42Å; K280-G282 VanDerWaalsContact C-N 3.33Å; G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 2.91Å; G282-S299 VanDerWaalsContact O-CB 3.31Å; G282-S299 WeakPolarHBondContact O-CB 3.38Å; G282-S299 PolarHBondContact O-OG 3.39Å
283	R	97.9	Very high	98.5	Very high	61 Å²	61	30.1 Å²	30.1	23%	0.23	16%	0.158	C	C	.	.	S	Bend	trans	-68.2	-27.8	-179.5	-176.7	58.8	-175.7	-80.9	3.7	113.1	E38 V40 S279 S281 D298 S299	E38-R283 PolarHBondContact O-NH2 2.77Å; V40-R283 HydrophobicContact CG2-CG 3.67Å; V40-R283 VanDerWaalsContact CG2-NE 3.29Å; S279-R283 PolarHBondContact OG-N 2.77Å; S281-R283 PolarHBondContact O-N 2.89Å; S281-R283 WeakPolarHBondContact OG-CB 3.31Å; S281-R283 PolarHBondContact OG-N 3.28Å; R283-D298 IonicContact CZ-OD1 3.97Å; R283-D298 IonicContact CZ-OD2 3.29Å; R283-D298 VanDerWaalsContact NE-CG 3.32Å; R283-D298 IonicContact NE-OD1 2.6Å; R283-D298 PolarHBondContact NE-OD1 2.82Å; R283-D298 IonicContact NE-OD2 3.47Å; R283-D298 PolarHBondContact NE-OD2 2.87Å; R283-D298 IonicContact NH2-OD1 3.39Å; R283-D298 IonicContact NH2-OD2 2.88Å; R283-D298 PolarHBondContact NH2-OD2 3.2Å; R283-S299 WeakPolarHBondContact CA-OG 3.5Å; R283-S299 PolarHBondContact O-N 2.91Å; R283-S299 PolarHBondContact O-OG 2.92Å
284	L	98.4	Very high	98.5	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.5	177.1	-54	179.5	0	0	0	109.6	V40 I43 F278 S279 G282 F286 V296 W297	V40-L284 HydrophobicContact CG1-CD2 4.09Å; V40-L284 HydrophobicContact CG2-CD2 4.22Å; I43-L284 HydrophobicContact CG1-CD2 4.42Å; F278-L284 CarbonylContact C-O 3.57Å; F278-L284 WeakPolarHBondContact CA-O 3.39Å; S279-L284 PolarHBondContact N-O 3.05Å; S279-L284 PolarHBondContact OG-N 2.91Å; S279-L284 VanDerWaalsContact OG-N 3.12Å; G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 2.91Å; L284-F286 HydrophobicContact CB-CE2 4.02Å; L284-F286 HydrophobicContact CB-CZ 4.19Å; L284-F286 HydrophobicContact CD1-CE2 4.47Å; L284-F286 HydrophobicContact CD1-CZ 3.94Å; L284-V296 HydrophobicContact CB-CG1 4.11Å; L284-V296 HydrophobicContact CD1-CG1 4.04Å; L284-V296 HydrophobicContact CD2-CG1 4.05Å; L284-V296 HydrophobicContact CG-CG1 4.3Å; L284-W297 WeakPolarHBondContact CA-O 3.49Å
285	L	98.7	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.4	165.2	172.4	64.7	0	0	0	108.3	A242 C250 Y264 V276 F278 W297	A242-L285 HydrophobicContact CB-CD1 3.75Å; A242-L285 HydrophobicContact CB-CD2 4.22Å; C250-L285 HydrophobicContact CB-CD2 3.97Å; Y264-L285 HydrophobicContact CD2-CD2 3.63Å; Y264-L285 HydrophobicContact CE2-CD2 3.65Å; Y264-L285 HydrophobicContact CG-CD2 4.25Å; V276-L285 HydrophobicContact CB-CD1 4.24Å; F278-L285 HydrophobicContact CD1-CB 4.26Å; F278-L285 HydrophobicContact CD1-CD1 4.26Å; F278-L285 HydrophobicContact CE1-CB 4.02Å; F278-L285 HydrophobicContact CE1-CD1 4.01Å; F278-L285 HydrophobicContact CE1-CG 4.48Å; F278-L285 HydrophobicContact CE2-CD1 4.39Å; F278-L285 HydrophobicContact CZ-CD1 4.08Å; L285-W297 HydrophobicContact CB-CB 4.23Å; L285-W297 PolarHBondContact N-O 2.84Å; L285-W297 PolarHBondContact O-N 2.85Å
286	F	98.8	Very high	98.5	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.7	171.7	-60.6	-85.5	0	0	0	108.9	M45 V276 A277 L284 V296 L308 L318 V320 V327	M45-F286 HydrophobicContact SD-CE1 3.7Å; M45-F286 HydrophobicContact SD-CZ 4.14Å; V276-F286 CarbonylContact C-O 3.57Å; V276-F286 VanDerWaalsContact CA-O 3.28Å; V276-F286 WeakPolarHBondContact CA-O 3.23Å; A277-F286 PolarHBondContact N-O 2.81Å; A277-F286 PolarHBondContact O-N 2.98Å; L284-F286 HydrophobicContact CB-CE2 4.02Å; L284-F286 HydrophobicContact CB-CZ 4.19Å; L284-F286 HydrophobicContact CD1-CE2 4.47Å; L284-F286 HydrophobicContact CD1-CZ 3.94Å; F286-V296 HydrophobicContact CD1-CB 4.39Å; F286-V296 HydrophobicContact CD1-CG1 4.13Å; F286-V296 HydrophobicContact CD1-CG2 3.72Å; F286-V296 HydrophobicContact CE1-CB 4.33Å; F286-V296 HydrophobicContact CE1-CG1 3.77Å; F286-V296 HydrophobicContact CE1-CG2 3.68Å; F286-V296 HydrophobicContact CZ-CG1 4.31Å; F286-L308 HydrophobicContact CD1-CD1 4.36Å; F286-L318 HydrophobicContact CB-CD1 4.05Å; F286-L318 HydrophobicContact CB-CD2 4.31Å; F286-V320 HydrophobicContact CD2-CG2 3.68Å; F286-V320 HydrophobicContact CE2-CG2 3.87Å; F286-V327 HydrophobicContact CD1-CG2 4.42Å; F286-V327 HydrophobicContact CE1-CG1 4.3Å; F286-V327 HydrophobicContact CG-CG2 4.35Å
287	A	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.5	176.1	0	0	0	0	0	110.6	C250 I273 S275 V276 Y289 C294 N295	C250-A287 VanDerWaalsContact SG-CB 3.55Å; I273-A287 HydrophobicContact CG2-CB 4.28Å; S275-A287 CarbonylContact O-C 3.5Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.11Å; V276-A287 HydrophobicContact CG1-CB 4.18Å; A287-Y289 HydrophobicContact CB-CD2 4.38Å; A287-Y289 HydrophobicContact CB-CE2 3.49Å; A287-Y289 VanDerWaalsContact CB-CE2 3.49Å; A287-Y289 WeakPolarHBondContact O-CD2 3.43Å; A287-Y289 WeakPolarHBondContact O-CE2 3.4Å; A287-C294 CarbonylContact O-C 3.48Å; A287-C294 WeakPolarHBondContact O-CA 3.46Å; A287-C294 PolarHBondContact O-SG 2.88Å; A287-C294 VanDerWaalsContact O-SG 3.37Å; A287-N295 PolarHBondContact N-O 3.43Å; A287-N295 PolarHBondContact O-N 3.24Å
288	G	98.8	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.5	176.9	0	0	0	0	0	110.5	I273 T274 S275	I273-G288 WeakPolarHBondContact CA-O 3.39Å; T274-G288 PolarHBondContact N-O 3.2Å; T274-G288 PolarHBondContact OG1-O 2.91Å; S275-G288 PolarHBondContact O-N 3.01Å
289	Y	98.7	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	159.5	-171	-69.7	-100.3	0	0	0	112.2	I269 I273 A287 D291 F292 N293 N295 W297 V315	I269-Y289 HydrophobicContact CD1-CE1 4.47Å; I269-Y289 HydrophobicContact CG2-CD1 3.74Å; I269-Y289 HydrophobicContact CG2-CE1 3.61Å; I273-Y289 HydrophobicContact CD1-CE1 3.81Å; I273-Y289 HydrophobicContact CG1-CD1 3.6Å; I273-Y289 HydrophobicContact CG1-CE1 3.2Å; I273-Y289 HydrophobicContact CG1-CE2 4.4Å; I273-Y289 HydrophobicContact CG1-CG 4.36Å; A287-Y289 HydrophobicContact CB-CD2 4.38Å; A287-Y289 HydrophobicContact CB-CE2 3.49Å; A287-Y289 VanDerWaalsContact CB-CE2 3.49Å; A287-Y289 WeakPolarHBondContact O-CD2 3.43Å; A287-Y289 WeakPolarHBondContact O-CE2 3.4Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.24Å; Y289-D291 PolarHBondContact O-N 3.14Å; Y289-F292 PolarHBondContact O-N 3.45Å; Y289-N293 PolarHBondContact N-O 3.43Å; Y289-N295 HydrophobicContact CD2-CB 4.34Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.46Å; Y289-N295 HydrophobicContact CE2-CB 3.67Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.17Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.2Å; Y289-W297 PolarHBondContact OH-NE1 3.31Å; Y289-V315 PolarHBondContact O-N 3.29Å
290	D	98.3	Very high	98.2	Very high	36 Å²	36	28.4 Å²	28.4	19%	0.193	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.6	174.6	-85.8	2.2	0	0	0	114.3	C271 G272 T274 F292 R314	C271-D290 HydrophobicContact CB-CB 3.9Å; G272-D290 PolarHBondContact O-N 3.06Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.37Å; D290-F292 WeakPolarHBondContact O-CD1 3.25Å; D290-F292 VanDerWaalsContact O-CE1 3.3Å; D290-F292 WeakPolarHBondContact O-CE1 3.45Å; D290-F292 PolarHBondContact O-N 2.59Å; D290-R314 VanDerWaalsContact CG-CZ 3.44Å; D290-R314 WeakPolarHBondContact OD1-CD 3.43Å; D290-R314 WeakPolarHBondContact OD1-CG 3.28Å; D290-R314 IonicContact OD1-CZ 3.73Å; D290-R314 IonicContact OD1-NE 2.81Å; D290-R314 PolarHBondContact OD1-NE 3.02Å; D290-R314 IonicContact OD1-NH1 2.71Å; D290-R314 IonicContact OD1-NH2 3.23Å; D290-R314 PolarHBondContact OD1-NH2 2.83Å; D290-R314 IonicContact OD2-CZ 3.74Å; D290-R314 VanDerWaalsContact OD2-CZ 3.3Å; D290-R314 IonicContact OD2-NE 3.95Å; D290-R314 IonicContact OD2-NH2 3.55Å; D290-R314 PolarHBondContact OD2-NH2 2.89Å
291	D	98	Very high	97.9	Very high	58 Å²	58	24.1 Å²	24.1	31%	0.31	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	12.7	175	77.8	-18.2	0	0	0	114.2	Y289 N293	Y289-D291 WeakPolarHBondContact CB-OD1 3.24Å; Y289-D291 PolarHBondContact O-N 3.14Å; D291-N293 PolarHBondContact O-N 2.73Å; D291-N293 PolarHBondContact O-ND2 3.17Å; D291-N293 WeakPolarHBondContact OD1-CB 3.12Å; D291-N293 PolarHBondContact OD1-N 2.97Å; D291-N293 VanDerWaalsContact OD1-N 3.07Å; D291-N293 PolarHBondContact OD2-ND2 2.92Å
292	F	98.4	Very high	97.7	Very high	89 Å²	89	22.5 Å²	22.5	39%	0.39	11%	0.107	S	C	.	.	S	Bend	trans	78.1	-1.1	175.7	-36.7	-24.2	0	0	0	114	Y289 D290 N313 V315	Y289-F292 PolarHBondContact O-N 3.45Å; D290-F292 WeakPolarHBondContact O-CD1 3.25Å; D290-F292 VanDerWaalsContact O-CE1 3.3Å; D290-F292 WeakPolarHBondContact O-CE1 3.45Å; D290-F292 PolarHBondContact O-N 2.59Å; F292-N313 WeakPolarHBondContact CB-O 3.49Å; F292-N313 VanDerWaalsContact CG-C 3.49Å; F292-V315 WeakPolarHBondContact O-CG2 3.49Å
293	N	98.4	Very high	97.6	Very high	42 Å²	42	28.2 Å²	28.2	23%	0.225	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	160.2	179.3	-60.6	-57	0	0	0	111.8	Y289 D291 V307 A309	Y289-N293 PolarHBondContact N-O 3.43Å; D291-N293 PolarHBondContact O-N 2.73Å; D291-N293 PolarHBondContact O-ND2 3.17Å; D291-N293 WeakPolarHBondContact OD1-CB 3.12Å; D291-N293 PolarHBondContact OD1-N 2.97Å; D291-N293 VanDerWaalsContact OD1-N 3.07Å; D291-N293 PolarHBondContact OD2-ND2 2.92Å; N293-V307 HydrophobicContact CB-CG1 4.02Å; N293-A309 WeakPolarHBondContact OD1-CB 3.35Å
294	C	98.6	Very high	97.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.1	160.9	165.8	0	0	0	0	108.9	A287 V307 L308 T329	A287-C294 CarbonylContact O-C 3.48Å; A287-C294 WeakPolarHBondContact O-CA 3.46Å; A287-C294 PolarHBondContact O-SG 2.88Å; A287-C294 VanDerWaalsContact O-SG 3.37Å; C294-V307 CarbonylContact O-C 3.53Å; C294-L308 HydrophobicContact CB-CB 4.06Å; C294-L308 HydrophobicContact CB-CD1 4.41Å; C294-L308 HydrophobicContact CB-CG 4.48Å; C294-L308 PolarHBondContact N-O 3.42Å; C294-L308 PolarHBondContact O-N 2.77Å; C294-T329 HydrophobicContact CB-CG2 4.29Å
295	N	98.5	Very high	97.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	143.8	177.1	-65.5	-73.6	0	0	0	109.9	A287 Y289 W297 R304	A287-N295 PolarHBondContact N-O 3.43Å; A287-N295 PolarHBondContact O-N 3.24Å; Y289-N295 HydrophobicContact CD2-CB 4.34Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.46Å; Y289-N295 HydrophobicContact CE2-CB 3.67Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.17Å; N295-W297 HydrophobicContact CB-CZ2 4.27Å; N295-R304 HydrophobicContact CB-CG 4.46Å; N295-R304 WeakPolarHBondContact OD1-CD 3.23Å; N295-R304 PolarHBondContact OD1-NH1 3.31Å
296	V	98.5	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.2	175.5	-170.9	0	0	0	0	107.9	I43 L284 F286 R304 S305 G306 L308	I43-V296 HydrophobicContact CG2-CG1 4.43Å; L284-V296 HydrophobicContact CB-CG1 4.11Å; L284-V296 HydrophobicContact CD1-CG1 4.04Å; L284-V296 HydrophobicContact CD2-CG1 4.05Å; L284-V296 HydrophobicContact CG-CG1 4.3Å; F286-V296 HydrophobicContact CD1-CB 4.39Å; F286-V296 HydrophobicContact CD1-CG1 4.13Å; F286-V296 HydrophobicContact CD1-CG2 3.72Å; F286-V296 HydrophobicContact CE1-CB 4.33Å; F286-V296 HydrophobicContact CE1-CG1 3.77Å; F286-V296 HydrophobicContact CE1-CG2 3.68Å; F286-V296 HydrophobicContact CZ-CG1 4.31Å; V296-R304 CarbonylContact O-C 3.56Å; V296-S305 PolarHBondContact O-N 3.33Å; V296-G306 PolarHBondContact N-O 2.99Å; V296-G306 PolarHBondContact O-N 2.78Å; V296-G306 VanDerWaalsContact O-N 3.13Å; V296-L308 HydrophobicContact CG2-CD2 4.27Å; V296-L308 HydrophobicContact CG2-CG 4.08Å
297	W	98.4	Very high	97.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.2	-178	-58.4	97.3	0	0	0	111.2	Y264 H266 I269 L284 L285 Y289 N295 S299 E303 R304	Y264-W297 HydrophobicContact CD1-CB 4.06Å; Y264-W297 HydrophobicContact CD1-CE3 4.47Å; Y264-W297 HydrophobicContact CD1-CG 4.42Å; Y264-W297 HydrophobicContact CG-CB 4.5Å; Y264-W297 HydrophobicContact CG-CG 4.47Å; H266-W297 HydrophobicContact CB-CH2 3.98Å; I269-W297 HydrophobicContact CD1-CH2 4.3Å; I269-W297 HydrophobicContact CD1-CZ2 4.05Å; L284-W297 WeakPolarHBondContact CA-O 3.49Å; L285-W297 HydrophobicContact CB-CB 4.23Å; L285-W297 PolarHBondContact N-O 2.84Å; L285-W297 PolarHBondContact O-N 2.85Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.2Å; Y289-W297 PolarHBondContact OH-NE1 3.31Å; N295-W297 HydrophobicContact CB-CZ2 4.27Å; W297-S299 PolarHBondContact O-N 2.77Å; W297-E303 WeakPolarHBondContact CA-O 3.42Å; W297-R304 HydrophobicContact CE3-CB 3.93Å; W297-R304 HydrophobicContact CH2-CB 4.34Å; W297-R304 HydrophobicContact CZ3-CB 3.84Å
298	D	97.4	Very high	97.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	111.6	162.3	-173.6	-26.6	0	0	0	107.9	V40 R283 M300 Q301 Q302 E303 S305	V40-D298 HydrophobicContact CG2-CB 4.41Å; V40-D298 WeakPolarHBondContact CG2-OD2 3.49Å; R283-D298 IonicContact CZ-OD1 3.97Å; R283-D298 IonicContact CZ-OD2 3.29Å; R283-D298 VanDerWaalsContact NE-CG 3.32Å; R283-D298 IonicContact NE-OD1 2.6Å; R283-D298 PolarHBondContact NE-OD1 2.82Å; R283-D298 IonicContact NE-OD2 3.47Å; R283-D298 PolarHBondContact NE-OD2 2.87Å; R283-D298 IonicContact NH2-OD1 3.39Å; R283-D298 IonicContact NH2-OD2 2.88Å; R283-D298 PolarHBondContact NH2-OD2 3.2Å; D298-M300 PolarHBondContact O-N 2.81Å; D298-M300 PolarHBondContact OD1-N 3.11Å; D298-Q301 HydrophobicContact CB-CB 4.18Å; D298-Q301 PolarHBondContact O-N 3.4Å; D298-Q301 PolarHBondContact OD1-N 2.82Å; D298-Q302 PolarHBondContact O-N 2.89Å; D298-E303 PolarHBondContact N-O 3.15Å; D298-S305 WeakPolarHBondContact CB-OG 3.44Å; D298-S305 PolarHBondContact N-OG 2.9Å
299	S	96.9	Very high	97.2	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.5	-175.9	62.1	0	0	0	0	113.1	L30 Y264 G282 R283 W297	L30-S299 WeakPolarHBondContact CD2-O 3.5Å; Y264-S299 WeakPolarHBondContact OH-CA 3.23Å; Y264-S299 PolarHBondContact OH-O 2.94Å; G282-S299 VanDerWaalsContact O-CB 3.31Å; G282-S299 WeakPolarHBondContact O-CB 3.38Å; G282-S299 PolarHBondContact O-OG 3.39Å; R283-S299 WeakPolarHBondContact CA-OG 3.5Å; R283-S299 PolarHBondContact O-N 2.91Å; R283-S299 PolarHBondContact O-OG 2.92Å; W297-S299 PolarHBondContact O-N 2.77Å
300	M	95.8	Very high	97.1	Very high	50 Å²	50	37.3 Å²	37.3	25%	0.246	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-40.9	-177.4	-60.8	-60.5	-65.5	0	0	112	L30 A34 M37 D298	L30-M300 HydrophobicContact CD1-CE 3.77Å; L30-M300 HydrophobicContact CD1-SD 4.18Å; A34-M300 HydrophobicContact CB-CB 3.94Å; A34-M300 HydrophobicContact CB-CE 4.24Å; A34-M300 WeakPolarHBondContact CB-O 3.43Å; M37-M300 HydrophobicContact CE-CB 4.29Å; M37-M300 HydrophobicContact CE-CE 4.41Å; M37-M300 HydrophobicContact CE-CG 3.96Å; M37-M300 HydrophobicContact SD-CB 4.01Å; M37-M300 HydrophobicContact SD-CE 3.65Å; M37-M300 HydrophobicContact SD-CG 4.07Å; D298-M300 PolarHBondContact O-N 2.81Å; D298-M300 PolarHBondContact OD1-N 3.11Å
301	Q	92.6	Very high	97.2	Very high	38 Å²	38	36.1 Å²	36.1	18%	0.178	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.5	-174.7	-64.7	-173.3	-11.7	0	0	114.1	M37 D298 E303	M37-Q301 PolarHBondContact O-NE2 3.3Å; D298-Q301 HydrophobicContact CB-CB 4.18Å; D298-Q301 PolarHBondContact O-N 3.4Å; D298-Q301 PolarHBondContact OD1-N 2.82Å; Q301-E303 HydrophobicContact CB-CG 4.36Å; Q301-E303 PolarHBondContact O-N 2.81Å
302	Q	94.6	Very high	97.2	Very high	57 Å²	57	39.6 Å²	39.6	27%	0.266	21%	0.212	S	C	.	.			trans	62.3	21	-177.9	-51.7	173.5	15.9	0	0	113.5	A262 Y264 D298	A262-Q302 HydrophobicContact CB-CG 3.96Å; A262-Q302 VanDerWaalsContact CB-NE2 3.32Å; Y264-Q302 HydrophobicContact CD1-CB 4.2Å; Y264-Q302 HydrophobicContact CD1-CG 4.34Å; Y264-Q302 HydrophobicContact CE1-CB 4.32Å; Y264-Q302 HydrophobicContact CE1-CG 4.04Å; D298-Q302 PolarHBondContact O-N 2.89Å
303	E	94.2	Very high	97.2	Very high	121 Å²	121	37.9 Å²	37.9	57%	0.565	21%	0.207	S	C	*	.			trans	-104.6	147.6	179.9	-67	-170.3	174.2	0	0	111.6	W297 D298 Q301 S305	W297-E303 WeakPolarHBondContact CA-O 3.42Å; D298-E303 PolarHBondContact N-O 3.15Å; Q301-E303 HydrophobicContact CB-CG 4.36Å; Q301-E303 PolarHBondContact O-N 2.81Å; E303-S305 PolarHBondContact O-N 3.13Å
304	R	96.2	Very high	97.2	Very high	104 Å²	104	39.4 Å²	39.4	39%	0.392	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	107.2	172.7	-176.8	176.4	60.8	178.7	-6.5	110.4	N295 V296 W297 G306	N295-R304 HydrophobicContact CB-CG 4.46Å; N295-R304 WeakPolarHBondContact OD1-CD 3.23Å; N295-R304 PolarHBondContact OD1-NH1 3.31Å; V296-R304 CarbonylContact O-C 3.56Å; W297-R304 HydrophobicContact CE3-CB 3.93Å; W297-R304 HydrophobicContact CH2-CB 4.34Å; W297-R304 HydrophobicContact CZ3-CB 3.84Å; R304-G306 WeakPolarHBondContact CG-O 3.39Å
305	S	96.3	Very high	97.2	Very high	14 Å²	14	39.4 Å²	39.4	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-23.3	177.9	-47.7	0	0	0	0	113.8	R42 I43 V296 D298 E303	R42-S305 CarbonylContact C-O 3.6Å; R42-S305 WeakPolarHBondContact CA-O 3.27Å; I43-S305 PolarHBondContact N-O 3.28Å; V296-S305 PolarHBondContact O-N 3.33Å; D298-S305 WeakPolarHBondContact CB-OG 3.44Å; D298-S305 PolarHBondContact N-OG 2.9Å; E303-S305 PolarHBondContact O-N 3.13Å
306	G	97.3	Very high	97.2	Very high	8 Å²	8	40.1 Å²	40.1	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	171.7	-176.9	0	0	0	0	0	114.4	V296 R304	V296-G306 PolarHBondContact N-O 2.99Å; V296-G306 PolarHBondContact O-N 2.78Å; V296-G306 VanDerWaalsContact O-N 3.13Å; R304-G306 WeakPolarHBondContact CG-O 3.39Å
307	V	97.9	Very high	97.2	Very high	63 Å²	63	40.6 Å²	40.6	38%	0.382	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.7	176.7	-174.9	0	0	0	0	109	N293 C294 A309	N293-V307 HydrophobicContact CB-CG1 4.02Å; C294-V307 CarbonylContact O-C 3.53Å; V307-A309 HydrophobicContact CG1-CB 4.26Å
308	L	98.4	Very high	97.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	87.6	170.4	-48.4	-174.9	0	0	0	108.2	M45 F286 C294 V296 V327 W339	M45-L308 HydrophobicContact CB-CD2 3.69Å; M45-L308 HydrophobicContact CG-CD2 4.05Å; M45-L308 HydrophobicContact SD-CD1 4.34Å; M45-L308 HydrophobicContact SD-CD2 3.9Å; F286-L308 HydrophobicContact CD1-CD1 4.36Å; C294-L308 HydrophobicContact CB-CB 4.06Å; C294-L308 HydrophobicContact CB-CD1 4.41Å; C294-L308 HydrophobicContact CB-CG 4.48Å; C294-L308 PolarHBondContact N-O 3.42Å; C294-L308 PolarHBondContact O-N 2.77Å; V296-L308 HydrophobicContact CG2-CD2 4.27Å; V296-L308 HydrophobicContact CG2-CG 4.08Å; L308-V327 HydrophobicContact CD1-CG1 3.95Å; L308-W339 HydrophobicContact CB-CD2 4.3Å; L308-W339 HydrophobicContact CB-CE3 4.27Å; L308-W339 HydrophobicContact CB-CH2 4.22Å; L308-W339 HydrophobicContact CB-CZ2 4.26Å; L308-W339 HydrophobicContact CB-CZ3 4.23Å; L308-W339 HydrophobicContact CD1-CB 4.44Å; L308-W339 HydrophobicContact CD1-CD2 4.18Å; L308-W339 HydrophobicContact CD1-CG 4.05Å; L308-W339 HydrophobicContact CD2-CD2 4.47Å; L308-W339 HydrophobicContact CD2-CE3 4.22Å
309	A	97.8	Very high	97.3	Very high	66 Å²	66	41.8 Å²	41.8	55%	0.545	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.3	177	0	0	0	0	0	109.3	N293 V307	N293-A309 WeakPolarHBondContact OD1-CB 3.35Å; V307-A309 HydrophobicContact CG1-CB 4.26Å
310	G	97.6	Very high	97.4	Very high	26 Å²	26	43 Å²	43	27%	0.268	24%	0.235	S	C	.	.			trans	-173.4	6.4	175	0	0	0	0	0	115.8	K337	G310-K337 WeakPolarHBondContact O-CE 3.31Å; G310-K337 PolarHBondContact O-NZ 2.92Å
311	H	98.7	Very high	97.5	Very high	11 Å²	11	40.9 Å²	40.9	5%	0.051	22%	0.224	C	C	.	.			trans	-99.6	150.5	170.2	-75.7	-71.9	0	0	0	110.1	V315 T329 S331 D333 F335	H311-V315 HydrophobicContact CB-CG2 4.39Å; H311-T329 PolarHBondContact CD2-OG1 2.83Å; H311-T329 PolarHBondContact NE2-OG1 3.04Å; H311-S331 VanDerWaalsContact CG-CB 3.47Å; H311-S331 WeakPolarHBondContact ND1-CB 3.47Å; H311-D333 VanDerWaalsContact CA-OD2 3.29Å; H311-D333 WeakPolarHBondContact CA-OD2 3.3Å; H311-D333 WeakPolarHBondContact CB-OD2 3.36Å; H311-D333 IonicContact CE1-OD1 3.7Å; H311-D333 IonicContact CE1-OD2 3.76Å; H311-D333 IonicContact CG-OD2 3.92Å; H311-D333 IonicContact ND1-OD1 3.39Å; H311-D333 PolarHBondContact ND1-OD1 2.73Å; H311-D333 IonicContact ND1-OD2 2.85Å; H311-D333 PolarHBondContact ND1-OD2 2.72Å; H311-F335 PolarHBondContact CE1-O 3.4Å
312	D	98.3	Very high	97.8	Very high	130 Å²	130	44.9 Å²	44.9	70%	0.695	24%	0.243	S	C	*	.	S	Bend	trans	-98.3	7.1	-179.9	-61.2	-47.5	0	0	0	112.1	D333	D312-D333 HydrophobicContact CB-CB 4.39Å; D312-D333 PolarHBondContact N-OD2 3.48Å; D312-D333 VanDerWaalsContact N-OD2 3.15Å
313	N	98.5	Very high	97.9	Very high	53 Å²	53	45 Å²	45	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-157.8	173.2	-180	-150.1	-35	0	0	0	110.2	F292 V315 S331 W332 D333	F292-N313 WeakPolarHBondContact CB-O 3.49Å; F292-N313 VanDerWaalsContact CG-C 3.49Å; N313-V315 PolarHBondContact O-N 2.84Å; N313-S331 PolarHBondContact O-OG 3.04Å; N313-W332 HydrophobicContact CB-CB 3.91Å; N313-D333 HydrophobicContact CB-CB 4.04Å
314	R	98.5	Very high	98.1	Very high	75 Å²	75	40.9 Å²	40.9	28%	0.283	24%	0.235	S	C	.	.			trans	-40.9	125.5	-179.6	174.5	-177.9	-63.8	-159.2	-12	111.7	T274 D290 S316 S331 W332	T274-R314 HydrophobicContact CG2-CG 3.95Å; D290-R314 VanDerWaalsContact CG-CZ 3.44Å; D290-R314 WeakPolarHBondContact OD1-CD 3.43Å; D290-R314 WeakPolarHBondContact OD1-CG 3.28Å; D290-R314 IonicContact OD1-CZ 3.73Å; D290-R314 IonicContact OD1-NE 2.81Å; D290-R314 PolarHBondContact OD1-NE 3.02Å; D290-R314 IonicContact OD1-NH1 2.71Å; D290-R314 IonicContact OD1-NH2 3.23Å; D290-R314 PolarHBondContact OD1-NH2 2.83Å; D290-R314 IonicContact OD2-CZ 3.74Å; D290-R314 VanDerWaalsContact OD2-CZ 3.3Å; D290-R314 IonicContact OD2-NE 3.95Å; D290-R314 IonicContact OD2-NH2 3.55Å; D290-R314 PolarHBondContact OD2-NH2 2.89Å; R314-S316 PolarHBondContact O-N 3.47Å; R314-S331 VanDerWaalsContact O-CA 3.25Å; R314-S331 WeakPolarHBondContact O-CA 3.44Å; R314-S331 WeakPolarHBondContact O-CB 3.3Å; R314-S331 PolarHBondContact O-OG 3.24Å; R314-W332 HydrophobicContact CB-CB 4.48Å; R314-W332 HydrophobicContact CB-CD2 4.02Å; R314-W332 HydrophobicContact CB-CE3 4Å; R314-W332 HydrophobicContact CB-CG 4.23Å; R314-W332 HydrophobicContact CG-CD2 4.43Å; R314-W332 VanDerWaalsContact NH1-CH2 3.3Å; R314-W332 PolarHBondContact O-N 2.64Å
315	V	98.8	Very high	98.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	113.5	167	177.8	0	0	0	0	105.6	T274 Y289 F292 H311 N313 T329	T274-V315 WeakPolarHBondContact CB-O 3.45Å; T274-V315 WeakPolarHBondContact CG2-O 3.47Å; T274-V315 PolarHBondContact OG1-O 3.08Å; Y289-V315 PolarHBondContact O-N 3.29Å; F292-V315 WeakPolarHBondContact O-CG2 3.49Å; H311-V315 HydrophobicContact CB-CG2 4.39Å; N313-V315 PolarHBondContact O-N 2.84Å; V315-T329 HydrophobicContact CG1-CG2 4.37Å
316	S	98.8	Very high	98.3	Very high	16 Å²	16	42 Å²	42	11%	0.112	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-25	-172.9	57.7	0	0	0	0	112.7	I58 R314 G330	I58-S316 WeakPolarHBondContact O-CB 3.3Å; I58-S316 PolarHBondContact O-OG 3.36Å; R314-S316 PolarHBondContact O-N 3.47Å; S316-G330 PolarHBondContact N-O 3.49Å; S316-G330 PolarHBondContact OG-O 3.35Å
317	C	98.8	Very high	98.4	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.068	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.8	-179.1	57.6	0	0	0	0	110.8	Y59 M61 T329 G330	Y59-C317 WeakPolarHBondContact O-CB 3.15Å; M61-C317 HydrophobicContact CG-CB 4.19Å; M61-C317 VanDerWaalsContact CG-SG 3.58Å; C317-T329 WeakPolarHBondContact O-CA 3.47Å; C317-G330 PolarHBondContact N-O 2.86Å; C317-G330 PolarHBondContact O-N 3.01Å
318	L	98.8	Very high	98.4	Very high	17 Å²	17	38.7 Å²	38.7	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.8	171.9	69	85.6	0	0	0	110.8	S275 A277 F286 C328 T329	S275-L318 WeakPolarHBondContact OG-CD2 3.29Å; S275-L318 WeakPolarHBondContact OG-CG 3.35Å; A277-L318 HydrophobicContact CB-CD1 3.3Å; F286-L318 HydrophobicContact CB-CD1 4.05Å; F286-L318 HydrophobicContact CB-CD2 4.31Å; L318-C328 CarbonylContact C-O 3.53Å; L318-C328 WeakPolarHBondContact CA-O 3.29Å; L318-C328 WeakPolarHBondContact CB-O 3.46Å; L318-T329 HydrophobicContact CB-CG2 4.13Å
319	G	98.7	Very high	98.4	Very high	12 Å²	12	38.5 Å²	38.5	12%	0.124	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	142.5	175.5	0	0	0	0	0	111.9	W63 V327 C328	W63-G319 PolarHBondContact NE1-O 3.42Å; G319-V327 CarbonylContact O-C 3.59Å; G319-V327 WeakPolarHBondContact O-CA 3.41Å; G319-C328 PolarHBondContact N-O 2.84Å; G319-C328 PolarHBondContact O-N 2.76Å
320	V	98.8	Very high	98.5	Very high	29 Å²	29	35.4 Å²	35.4	18%	0.176	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.6	174	-178.7	0	0	0	0	108.7	A277 F278 F286 A326 V327	A277-V320 HydrophobicContact CB-CG2 4.09Å; F278-V320 WeakPolarHBondContact O-CG2 3.37Å; F286-V320 HydrophobicContact CD2-CG2 3.68Å; F286-V320 HydrophobicContact CE2-CG2 3.87Å; V320-A326 WeakPolarHBondContact CA-O 3.36Å; V320-V327 HydrophobicContact CG2-CB 4.17Å; V320-V327 HydrophobicContact CG2-CG2 3.94Å
321	T	98.7	Very high	98.5	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.031	19%	0.186	C	C	.	.			trans	-66.9	152.1	175.8	55.3	0	0	0	0	111.6	W63 D323 G324 M325 A326	W63-T321 HydrophobicContact CD2-CG2 3.67Å; W63-T321 HydrophobicContact CE3-CG2 3.86Å; W63-T321 HydrophobicContact CG-CG2 4.24Å; W63-T321 HydrophobicContact CH2-CG2 3.83Å; W63-T321 HydrophobicContact CZ2-CG2 3.63Å; W63-T321 HydrophobicContact CZ3-CG2 3.94Å; T321-D323 VanDerWaalsContact CB-OD1 3.25Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.8Å; T321-D323 PolarHBondContact OG1-OD1 3.44Å; T321-G324 WeakPolarHBondContact O-CA 3.46Å; T321-G324 PolarHBondContact O-N 2.98Å; T321-G324 PolarHBondContact OG1-N 3.28Å; T321-M325 PolarHBondContact OG1-N 3.2Å; T321-A326 HydrophobicContact CG2-CB 4.17Å; T321-A326 PolarHBondContact N-O 2.79Å; T321-A326 PolarHBondContact OG1-N 2.8Å; T321-A326 VanDerWaalsContact OG1-N 3.14Å; T321-A326 PolarHBondContact OG1-O 2.75Å
322	E	97.2	Very high	98.6	Very high	122 Å²	122	35.9 Å²	35.9	57%	0.57	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.1	179	-72.4	-64.5	164.9	0	0	112.8	S67 K280 G324	S67-E322 PolarHBondContact OG-N 3.27Å; K280-E322 PolarHBondContact NZ-O 3.3Å; E322-G324 VanDerWaalsContact C-N 3.3Å
323	D	98.1	Very high	98.6	Very high	59 Å²	59	30.7 Å²	30.7	32%	0.316	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8	174.8	69.3	1.7	0	0	0	114.2	S67 K280 T321 M325	S67-D323 VanDerWaalsContact CB-CG 3.48Å; S67-D323 WeakPolarHBondContact CB-OD2 3.49Å; S67-D323 PolarHBondContact OG-N 3.18Å; K280-D323 WeakPolarHBondContact CD-O 3.37Å; T321-D323 VanDerWaalsContact CB-OD1 3.25Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.8Å; T321-D323 PolarHBondContact OG1-OD1 3.44Å; D323-M325 VanDerWaalsContact C-N 3.27Å; D323-M325 HydrophobicContact CB-CG 4.24Å; D323-M325 PolarHBondContact O-N 2.75Å; D323-M325 VanDerWaalsContact OD1-CB 3.28Å; D323-M325 WeakPolarHBondContact OD1-CB 3.5Å; D323-M325 WeakPolarHBondContact OD1-CG 3.45Å; D323-M325 PolarHBondContact OD1-N 3.45Å; D323-M325 VanDerWaalsContact OD2-CG 3.24Å; D323-M325 WeakPolarHBondContact OD2-CG 3.41Å
324	G	98.1	Very high	98.6	Very high	34 Å²	34	29.2 Å²	29.2	35%	0.351	16%	0.158	S	C	.	.	S	Bend	trans	73.6	8.5	-178.7	0	0	0	0	0	115.4	T321 E322	T321-G324 WeakPolarHBondContact O-CA 3.46Å; T321-G324 PolarHBondContact O-N 2.98Å; T321-G324 PolarHBondContact OG1-N 3.28Å; E322-G324 VanDerWaalsContact C-N 3.3Å
325	M	98.2	Very high	98.6	Very high	130 Å²	130	28.8 Å²	28.8	64%	0.64	16%	0.158	S	C	*	.	S	Bend	trans	-75.2	-22.7	-174.9	-70.2	-68.2	-179.2	0	0	114.6	T321 D323 N340	T321-M325 PolarHBondContact OG1-N 3.2Å; D323-M325 VanDerWaalsContact C-N 3.27Å; D323-M325 HydrophobicContact CB-CG 4.24Å; D323-M325 PolarHBondContact O-N 2.75Å; D323-M325 VanDerWaalsContact OD1-CB 3.28Å; D323-M325 WeakPolarHBondContact OD1-CB 3.5Å; D323-M325 WeakPolarHBondContact OD1-CG 3.45Å; D323-M325 PolarHBondContact OD1-N 3.45Å; D323-M325 VanDerWaalsContact OD2-CG 3.24Å; D323-M325 WeakPolarHBondContact OD2-CG 3.41Å; M325-N340 VanDerWaalsContact O-CB 3.3Å; M325-N340 WeakPolarHBondContact O-CB 3.36Å; M325-N340 PolarHBondContact O-ND2 2.8Å
326	A	98.5	Very high	98.6	Very high	13 Å²	13	28.8 Å²	28.8	11%	0.107	16%	0.158	C	C	.	.			trans	-149.9	155.3	-179.6	0	0	0	0	0	112.6	V320 T321 I338 W339	V320-A326 WeakPolarHBondContact CA-O 3.36Å; T321-A326 HydrophobicContact CG2-CB 4.17Å; T321-A326 PolarHBondContact N-O 2.79Å; T321-A326 PolarHBondContact OG1-N 2.8Å; T321-A326 VanDerWaalsContact OG1-N 3.14Å; T321-A326 PolarHBondContact OG1-O 2.75Å; A326-I338 HydrophobicContact CB-CG2 3.73Å; A326-W339 WeakPolarHBondContact CA-O 2.92Å
327	V	98.7	Very high	98.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.1	164.2	63.4	0	0	0	0	108.7	M45 F286 L308 G319 V320 I338 W339	M45-V327 HydrophobicContact CE-CG1 3.55Å; M45-V327 HydrophobicContact SD-CG1 4.07Å; F286-V327 HydrophobicContact CD1-CG2 4.42Å; F286-V327 HydrophobicContact CE1-CG1 4.3Å; F286-V327 HydrophobicContact CG-CG2 4.35Å; L308-V327 HydrophobicContact CD1-CG1 3.95Å; G319-V327 CarbonylContact O-C 3.59Å; G319-V327 WeakPolarHBondContact O-CA 3.41Å; V320-V327 HydrophobicContact CG2-CB 4.17Å; V320-V327 HydrophobicContact CG2-CG2 3.94Å; V327-I338 CarbonylContact O-C 3.51Å; V327-I338 WeakPolarHBondContact O-CA 3.28Å; V327-W339 HydrophobicContact CG1-CB 3.67Å; V327-W339 HydrophobicContact CG1-CG 4.09Å; V327-W339 PolarHBondContact N-O 3.4Å; V327-W339 PolarHBondContact O-N 3.4Å
328	C	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.3	171	-171.3	0	0	0	0	110	M61 W63 L318 G319 K337 I338	M61-C328 HydrophobicContact CE-CB 3.5Å; M61-C328 HydrophobicContact SD-CB 4.31Å; W63-C328 HydrophobicContact CZ2-CB 3.54Å; L318-C328 CarbonylContact C-O 3.53Å; L318-C328 WeakPolarHBondContact CA-O 3.29Å; L318-C328 WeakPolarHBondContact CB-O 3.46Å; G319-C328 PolarHBondContact N-O 2.84Å; G319-C328 PolarHBondContact O-N 2.76Å; C328-K337 CarbonylContact C-O 3.51Å; C328-K337 VanDerWaalsContact CA-O 3.23Å; C328-K337 WeakPolarHBondContact CA-O 3.45Å; C328-K337 PolarHBondContact SG-O 3.04Å; C328-K337 VanDerWaalsContact SG-O 3.38Å; C328-I338 HydrophobicContact CB-CG1 4.46Å
329	T	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.2	170.8	56.7	0	0	0	0	109.2	C294 H311 V315 C317 L318 L336 K337 W339	C294-T329 HydrophobicContact CB-CG2 4.29Å; H311-T329 PolarHBondContact CD2-OG1 2.83Å; H311-T329 PolarHBondContact NE2-OG1 3.04Å; V315-T329 HydrophobicContact CG1-CG2 4.37Å; C317-T329 WeakPolarHBondContact O-CA 3.47Å; L318-T329 HydrophobicContact CB-CG2 4.13Å; T329-L336 CarbonylContact O-C 3.6Å; T329-L336 VanDerWaalsContact O-CA 3.22Å; T329-L336 WeakPolarHBondContact O-CA 3.47Å; T329-K337 PolarHBondContact N-O 2.9Å; T329-K337 PolarHBondContact O-N 2.49Å; T329-W339 PolarHBondContact OG1-NE1 2.81Å
330	G	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.3	169.4	0	0	0	0	0	110.3	S316 C317	S316-G330 PolarHBondContact N-O 3.49Å; S316-G330 PolarHBondContact OG-O 3.35Å; C317-G330 PolarHBondContact N-O 2.86Å; C317-G330 PolarHBondContact O-N 3.01Å
331	S	98.9	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.6	-174.1	167.7	0	0	0	0	112.6	I58 H311 N313 R314 D333 S334 F335	I58-S331 WeakPolarHBondContact CB-O 3.23Å; I58-S331 PolarHBondContact N-O 2.93Å; H311-S331 VanDerWaalsContact CG-CB 3.47Å; H311-S331 WeakPolarHBondContact ND1-CB 3.47Å; N313-S331 PolarHBondContact O-OG 3.04Å; R314-S331 VanDerWaalsContact O-CA 3.25Å; R314-S331 WeakPolarHBondContact O-CA 3.44Å; R314-S331 WeakPolarHBondContact O-CB 3.3Å; R314-S331 PolarHBondContact O-OG 3.24Å; S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.22Å; S331-D333 PolarHBondContact O-N 3.45Å; S331-D333 VanDerWaalsContact O-N 3.17Å; S331-D333 VanDerWaalsContact OG-CG 3.31Å; S331-D333 PolarHBondContact OG-N 3.27Å; S331-D333 VanDerWaalsContact OG-N 3.14Å; S331-D333 PolarHBondContact OG-OD1 2.82Å; S331-S334 PolarHBondContact O-N 3.21Å; S331-S334 VanDerWaalsContact O-N 3.16Å; S331-F335 PolarHBondContact N-O 3.17Å
332	W	98.7	Very high	98.4	Very high	47 Å²	47	34.7 Å²	34.7	18%	0.178	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.2	169.4	-74.7	9.9	0	0	0	114.1	K57 I58 Y59 N313 R314 S334	K57-W332 HydrophobicContact CB-CB 4.23Å; K57-W332 HydrophobicContact CB-CG 3.97Å; K57-W332 HydrophobicContact CD-CB 4.27Å; K57-W332 HydrophobicContact CD-CD2 3.77Å; K57-W332 HydrophobicContact CD-CE3 4.14Å; K57-W332 HydrophobicContact CD-CG 3.85Å; K57-W332 HydrophobicContact CG-CB 3.89Å; K57-W332 HydrophobicContact CG-CD2 4.33Å; K57-W332 HydrophobicContact CG-CG 3.87Å; I58-W332 VanDerWaalsContact O-CD1 3.29Å; Y59-W332 AromaticContact CE2-NE1 3.72Å; N313-W332 HydrophobicContact CB-CB 3.91Å; R314-W332 HydrophobicContact CB-CB 4.48Å; R314-W332 HydrophobicContact CB-CD2 4.02Å; R314-W332 HydrophobicContact CB-CE3 4Å; R314-W332 HydrophobicContact CB-CG 4.23Å; R314-W332 HydrophobicContact CG-CD2 4.43Å; R314-W332 VanDerWaalsContact NH1-CH2 3.3Å; R314-W332 PolarHBondContact O-N 2.64Å; W332-S334 PolarHBondContact O-N 2.72Å
333	D	98.5	Very high	98.4	Very high	22 Å²	22	29.9 Å²	29.9	12%	0.118	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	2.3	170.3	71	8.8	0	0	0	114.1	H311 D312 N313 S331 F335	H311-D333 VanDerWaalsContact CA-OD2 3.29Å; H311-D333 WeakPolarHBondContact CA-OD2 3.3Å; H311-D333 WeakPolarHBondContact CB-OD2 3.36Å; H311-D333 IonicContact CE1-OD1 3.7Å; H311-D333 IonicContact CE1-OD2 3.76Å; H311-D333 IonicContact CG-OD2 3.92Å; H311-D333 IonicContact ND1-OD1 3.39Å; H311-D333 PolarHBondContact ND1-OD1 2.73Å; H311-D333 IonicContact ND1-OD2 2.85Å; H311-D333 PolarHBondContact ND1-OD2 2.72Å; D312-D333 HydrophobicContact CB-CB 4.39Å; D312-D333 PolarHBondContact N-OD2 3.48Å; D312-D333 VanDerWaalsContact N-OD2 3.15Å; N313-D333 HydrophobicContact CB-CB 4.04Å; S331-D333 VanDerWaalsContact CB-OD1 3.29Å; S331-D333 WeakPolarHBondContact CB-OD1 3.22Å; S331-D333 PolarHBondContact O-N 3.45Å; S331-D333 VanDerWaalsContact O-N 3.17Å; S331-D333 VanDerWaalsContact OG-CG 3.31Å; S331-D333 PolarHBondContact OG-N 3.27Å; S331-D333 VanDerWaalsContact OG-N 3.14Å; S331-D333 PolarHBondContact OG-OD1 2.82Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.17Å; D333-F335 VanDerWaalsContact O-CD2 3.31Å; D333-F335 WeakPolarHBondContact O-CD2 3.42Å; D333-F335 WeakPolarHBondContact O-CE2 3.17Å; D333-F335 PolarHBondContact O-N 2.72Å; D333-F335 WeakPolarHBondContact OD1-CB 3.41Å; D333-F335 PolarHBondContact OD1-N 2.99Å
334	S	98.6	Very high	98.5	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.154	15%	0.151	C	C	.	.	S	Bend	trans	72.5	10.9	-180	-38.9	0	0	0	0	115	A56 I58 S331 W332	A56-S334 VanDerWaalsContact C-OG 3.23Å; A56-S334 PolarHBondContact N-OG 3.44Å; A56-S334 WeakPolarHBondContact O-CB 3.49Å; A56-S334 PolarHBondContact O-OG 2.76Å; A56-S334 VanDerWaalsContact O-OG 3.07Å; I58-S334 VanDerWaalsContact CD1-C 3.43Å; S331-S334 PolarHBondContact O-N 3.21Å; S331-S334 VanDerWaalsContact O-N 3.16Å; W332-S334 PolarHBondContact O-N 2.72Å
335	F	98.7	Very high	98.5	Very high	65 Å²	65	27.8 Å²	27.8	29%	0.285	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148	176.5	-59.3	-65.8	0	0	0	112.4	T50 R52 I58 H311 S331 D333	T50-F335 HydrophobicContact CG2-CB 4.35Å; T50-F335 HydrophobicContact CG2-CD1 4.16Å; T50-F335 HydrophobicContact CG2-CG 4.42Å; R52-F335 HydrophobicContact CB-CE1 4.44Å; R52-F335 HydrophobicContact CG-CD1 3.88Å; R52-F335 HydrophobicContact CG-CE1 3.8Å; I58-F335 WeakPolarHBondContact CD1-O 3.22Å; H311-F335 PolarHBondContact CE1-O 3.4Å; S331-F335 PolarHBondContact N-O 3.17Å; D333-F335 VanDerWaalsContact C-N 3.27Å; D333-F335 HydrophobicContact CB-CD2 4.17Å; D333-F335 VanDerWaalsContact O-CD2 3.31Å; D333-F335 WeakPolarHBondContact O-CD2 3.42Å; D333-F335 WeakPolarHBondContact O-CE2 3.17Å; D333-F335 PolarHBondContact O-N 2.72Å; D333-F335 WeakPolarHBondContact OD1-CB 3.41Å; D333-F335 PolarHBondContact OD1-N 2.99Å
336	L	98.9	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.2	157.5	-55.8	94	0	0	0	110	T50 L51 I58 M61 L70 W82 T329	T50-L336 CarbonylContact C-O 3.6Å; T50-L336 WeakPolarHBondContact CA-O 3.38Å; L51-L336 HydrophobicContact CB-CB 4.07Å; L51-L336 HydrophobicContact CB-CD1 4.3Å; L51-L336 HydrophobicContact CD1-CB 4.11Å; L51-L336 HydrophobicContact CG-CB 4.27Å; L51-L336 PolarHBondContact N-O 2.81Å; L51-L336 PolarHBondContact O-N 3.46Å; I58-L336 HydrophobicContact CD1-CD1 3.49Å; I58-L336 VanDerWaalsContact CD1-CD1 3.49Å; I58-L336 HydrophobicContact CD1-CG 3.84Å; M61-L336 HydrophobicContact CB-CD2 3.83Å; M61-L336 HydrophobicContact CG-CD2 4.3Å; L70-L336 HydrophobicContact CD1-CD2 3.83Å; W82-L336 HydrophobicContact CZ2-CD1 4.14Å; T329-L336 CarbonylContact O-C 3.6Å; T329-L336 VanDerWaalsContact O-CA 3.22Å; T329-L336 WeakPolarHBondContact O-CA 3.47Å
337	K	98.8	Very high	98.5	Very high	30 Å²	30	21.6 Å²	21.6	13%	0.13	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.2	177.4	-69.6	173.1	-164.3	-110.2	0	109.5	T47 R49 T50 G310 C328 T329 W339	T47-K337 HydrophobicContact CG2-CB 4Å; T47-K337 HydrophobicContact CG2-CD 4.44Å; T47-K337 HydrophobicContact CG2-CG 4.07Å; R49-K337 WeakPolarHBondContact O-CA 3.49Å; T50-K337 HydrophobicContact CG2-CG 4.4Å; G310-K337 WeakPolarHBondContact O-CE 3.31Å; G310-K337 PolarHBondContact O-NZ 2.92Å; C328-K337 CarbonylContact C-O 3.51Å; C328-K337 VanDerWaalsContact CA-O 3.23Å; C328-K337 WeakPolarHBondContact CA-O 3.45Å; C328-K337 PolarHBondContact SG-O 3.04Å; C328-K337 VanDerWaalsContact SG-O 3.38Å; T329-K337 PolarHBondContact N-O 2.9Å; T329-K337 PolarHBondContact O-N 2.49Å; K337-W339 HydrophobicContact CB-CZ2 3.77Å; K337-W339 HydrophobicContact CD-CH2 4.24Å; K337-W339 HydrophobicContact CD-CZ2 3.79Å; K337-W339 HydrophobicContact CG-CZ2 4.41Å; K337-W339 PolarHBondContact O-NE1 3.44Å
338	I	98.8	Very high	98.5	Very high	9 Å²	9	23.2 Å²	23.2	5%	0.046	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.5	176.9	-54.5	-177.8	0	0	0	107.9	T47 R48 R49 L51 W63 L70 A326 V327 C328	T47-I338 CarbonylContact C-O 3.6Å; T47-I338 WeakPolarHBondContact CA-O 3.48Å; R48-I338 PolarHBondContact N-O 2.7Å; R49-I338 HydrophobicContact CB-CB 4.06Å; R49-I338 HydrophobicContact CB-CD1 4.08Å; R49-I338 HydrophobicContact CB-CG1 4.21Å; R49-I338 HydrophobicContact CG-CD1 4.47Å; R49-I338 PolarHBondContact N-O 2.7Å; R49-I338 PolarHBondContact O-N 3.14Å; L51-I338 HydrophobicContact CD1-CD1 4.35Å; L51-I338 HydrophobicContact CD2-CD1 4.47Å; W63-I338 HydrophobicContact CH2-CD1 4.03Å; L70-I338 HydrophobicContact CD2-CD1 4.44Å; A326-I338 HydrophobicContact CB-CG2 3.73Å; V327-I338 CarbonylContact O-C 3.51Å; V327-I338 WeakPolarHBondContact O-CA 3.28Å; C328-I338 HydrophobicContact CB-CG1 4.46Å
339	W	98.8	Very high	98.4	Very high	8 Å²	8	25.1 Å²	25.1	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.1	-172.9	-40.8	77.7	0	0	0	110.6	M45 R46 T47 L308 A326 V327 T329 K337	M45-W339 HydrophobicContact CB-CB 4.14Å; M45-W339 HydrophobicContact CE-CB 4.14Å; R46-W339 WeakPolarHBondContact O-CA 3.23Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.24Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.4Å; L308-W339 HydrophobicContact CB-CD2 4.3Å; L308-W339 HydrophobicContact CB-CE3 4.27Å; L308-W339 HydrophobicContact CB-CH2 4.22Å; L308-W339 HydrophobicContact CB-CZ2 4.26Å; L308-W339 HydrophobicContact CB-CZ3 4.23Å; L308-W339 HydrophobicContact CD1-CB 4.44Å; L308-W339 HydrophobicContact CD1-CD2 4.18Å; L308-W339 HydrophobicContact CD1-CG 4.05Å; L308-W339 HydrophobicContact CD2-CD2 4.47Å; L308-W339 HydrophobicContact CD2-CE3 4.22Å; A326-W339 WeakPolarHBondContact CA-O 2.92Å; V327-W339 HydrophobicContact CG1-CB 3.67Å; V327-W339 HydrophobicContact CG1-CG 4.09Å; V327-W339 PolarHBondContact N-O 3.4Å; V327-W339 PolarHBondContact O-N 3.4Å; T329-W339 PolarHBondContact OG1-NE1 2.81Å; K337-W339 HydrophobicContact CB-CZ2 3.77Å; K337-W339 HydrophobicContact CD-CH2 4.24Å; K337-W339 HydrophobicContact CD-CZ2 3.79Å; K337-W339 HydrophobicContact CG-CZ2 4.41Å; K337-W339 PolarHBondContact O-NE1 3.44Å
340	N	94.9	Very high	98.4	Very high	97 Å²	97	27.4 Å²	27.4	52%	0.519	13%	0.133	S	C	.	.			trans	-159.4	0	163	72.3	12.1	0	0	0	112.6	R46 R48 M325	R46-N340 PolarHBondContact N-O 2.86Å; R46-N340 VanDerWaalsContact N-O 3.07Å; R46-N340 PolarHBondContact O-N 3.3Å; R48-N340 WeakPolarHBondContact CD-OD1 3.15Å; R48-N340 WeakPolarHBondContact CG-OD1 3.16Å; R48-N340 PolarHBondContact NE-O 3.17Å; R48-N340 VanDerWaalsContact NE-O 3.12Å; R48-N340 PolarHBondContact NE-OD1 3.3Å; R48-N340 PolarHBondContact NH2-O 3.32Å; M325-N340 VanDerWaalsContact O-CB 3.3Å; M325-N340 WeakPolarHBondContact O-CB 3.36Å; M325-N340 PolarHBondContact O-ND2 2.8Å

Retrieved 340 of 340 residues in 328.8 ms (Link to these results)

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