A0A087XNC4_POEFO Loading...

Guanine nucleotide binding protein (G protein), beta polypeptide 2

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

AlphaFold DB , UniProt , Accession A0A087XNC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.8	Low	94.1	Very high	143 Å²	143	108.1 Å²	108.1	70%	0.704	53%	0.532	S	S	*	.				0	122.9	0	-165.6	-178.4	-65.9	0	0	106.5	E5 Q6	M1-E5 WeakPolarHBondContact CA-OE2 3.29Å; M1-E5 HydrophobicContact CG-CB 3.51Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å; M1-E5 HydrophobicContact SD-CB 4.41Å; M1-Q6 HydrophobicContact CB-CG 4.38Å; M1-Q6 HydrophobicContact CG-CG 3.92Å; M1-Q6 HydrophobicContact SD-CB 4.45Å; M1-Q6 HydrophobicContact SD-CG 3.58Å; M1-Q6 VanDerWaalsContact SD-CG 3.58Å
2	S	93.3	Very high	94.3	Very high	67 Å²	67	105.6 Å²	105.6	47%	0.469	52%	0.518	S	S	.	.			trans	-64.3	152.4	176.3	176.3	0	0	0	0	110.1	L4 E5 Q6	S2-L4 PolarHBondContact O-N 3.38Å; S2-L4 PolarHBondContact OG-N 3.18Å; S2-E5 PolarHBondContact N-OE2 3.24Å; S2-E5 WeakPolarHBondContact O-CB 3.49Å; S2-E5 PolarHBondContact O-N 2.78Å; S2-Q6 PolarHBondContact O-N 2.95Å; S2-Q6 VanDerWaalsContact O-N 3.08Å
3	E	95.9	Very high	94.6	Very high	149 Å²	149	106.1 Å²	106.1	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-52.4	-39	172.9	-176.5	179.8	174.1	0	0	111.3	E5 Q6 L7	E3-E5 VanDerWaalsContact C-N 3.34Å; E3-E5 PolarHBondContact O-N 2.96Å; E3-Q6 WeakPolarHBondContact O-CB 3.5Å; E3-Q6 PolarHBondContact O-N 3.3Å; E3-L7 HydrophobicContact CG-CD1 4.48Å; E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.37Å
4	L	95.9	Very high	94.9	Very high	95 Å²	95	104.5 Å²	104.5	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-37.2	176	-179.5	62.8	0	0	0	113	S2 R8	S2-L4 PolarHBondContact O-N 3.38Å; S2-L4 PolarHBondContact OG-N 3.18Å; L4-R8 WeakPolarHBondContact O-CB 3.24Å; L4-R8 VanDerWaalsContact O-CG 3.3Å; L4-R8 WeakPolarHBondContact O-CG 3.29Å; L4-R8 PolarHBondContact O-N 2.8Å
5	E	96.2	Very high	95	Very high	103 Å²	103	107.5 Å²	107.5	48%	0.481	52%	0.516	S	S	.	.	H	α-helix	trans	-69.9	-38.2	178	-70.9	170.8	165.9	0	0	110.9	M1 S2 E3 R8 Q9	M1-E5 WeakPolarHBondContact CA-OE2 3.29Å; M1-E5 HydrophobicContact CG-CB 3.51Å; M1-E5 WeakPolarHBondContact CG-OE2 3.45Å; M1-E5 HydrophobicContact SD-CB 4.41Å; S2-E5 PolarHBondContact N-OE2 3.24Å; S2-E5 WeakPolarHBondContact O-CB 3.49Å; S2-E5 PolarHBondContact O-N 2.78Å; E3-E5 VanDerWaalsContact C-N 3.34Å; E3-E5 PolarHBondContact O-N 2.96Å; E5-R8 PolarHBondContact O-N 2.88Å; E5-Q9 WeakPolarHBondContact O-CB 3.42Å; E5-Q9 PolarHBondContact O-N 2.79Å
6	Q	96.9	Very high	95.2	Very high	107 Å²	107	104.3 Å²	104.3	50%	0.5	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-49.1	175	-67.6	175	-5.8	0	0	111	M1 S2 E3 R8 Q9 E10	M1-Q6 HydrophobicContact CB-CG 4.38Å; M1-Q6 HydrophobicContact CG-CG 3.92Å; M1-Q6 HydrophobicContact SD-CB 4.45Å; M1-Q6 HydrophobicContact SD-CG 3.58Å; M1-Q6 VanDerWaalsContact SD-CG 3.58Å; S2-Q6 PolarHBondContact O-N 2.95Å; S2-Q6 VanDerWaalsContact O-N 3.08Å; E3-Q6 WeakPolarHBondContact O-CB 3.5Å; E3-Q6 PolarHBondContact O-N 3.3Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 3.21Å; Q6-Q9 PolarHBondContact O-N 2.99Å; Q6-E10 WeakPolarHBondContact O-CB 3.26Å; Q6-E10 PolarHBondContact O-N 2.69Å
7	L	97.8	Very high	95.4	Very high	96 Å²	96	104.1 Å²	104.1	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-37.7	178.1	-69.9	172.3	0	0	0	112.7	E3 A11	E3-L7 HydrophobicContact CG-CD1 4.48Å; E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.37Å; L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 3.11Å
8	R	96.7	Very high	95.6	Very high	169 Å²	169	102.8 Å²	102.8	64%	0.638	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-42.9	174.4	-78	176	178.1	178.7	-0.3	111.9	L4 E5 Q6 A11 E12	L4-R8 WeakPolarHBondContact O-CB 3.24Å; L4-R8 VanDerWaalsContact O-CG 3.3Å; L4-R8 WeakPolarHBondContact O-CG 3.29Å; L4-R8 PolarHBondContact O-N 2.8Å; E5-R8 PolarHBondContact O-N 2.88Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 3.21Å; R8-A11 PolarHBondContact O-N 3.25Å; R8-E12 PolarHBondContact O-N 3.43Å; R8-E12 VanDerWaalsContact O-N 3.11Å
9	Q	97.3	Very high	95.6	Very high	114 Å²	114	105.1 Å²	105.1	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-42.1	178.1	-173.1	175.1	4.6	0	0	111.3	E5 Q6 E12 Q13	E5-Q9 WeakPolarHBondContact O-CB 3.42Å; E5-Q9 PolarHBondContact O-N 2.79Å; Q6-Q9 PolarHBondContact O-N 2.99Å; Q9-E12 PolarHBondContact O-N 3.48Å; Q9-Q13 WeakPolarHBondContact O-CB 3.34Å; Q9-Q13 PolarHBondContact O-N 3.4Å
10	E	98.1	Very high	95.8	Very high	105 Å²	105	105.1 Å²	105.1	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.2	-175.3	177.7	-175.2	0	0	111.5	Q6 E12 Q13 L14	Q6-E10 WeakPolarHBondContact O-CB 3.26Å; Q6-E10 PolarHBondContact O-N 2.69Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.38Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 3.4Å; E10-L14 HydrophobicContact CG-CD1 4.22Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.26Å
11	A	96.9	Very high	95.9	Very high	41 Å²	41	102.8 Å²	102.8	34%	0.339	50%	0.501	S	S	.	.	H	α-helix	trans	-59.5	-42	177	0	0	0	0	0	112.4	L7 R8 L14 R15	L7-A11 WeakPolarHBondContact O-CB 3.39Å; L7-A11 PolarHBondContact O-N 3.11Å; R8-A11 PolarHBondContact O-N 3.25Å; A11-L14 PolarHBondContact O-N 3.32Å; A11-R15 WeakPolarHBondContact O-CG 3.44Å; A11-R15 PolarHBondContact O-N 3.29Å
12	E	97.4	Very high	97.2	Very high	78 Å²	78	97.8 Å²	97.8	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-69.5	-37.1	177.3	-167.6	56.7	-152.5	0	0	112.1	R8 Q9 E10 R15 N16	R8-E12 PolarHBondContact O-N 3.43Å; R8-E12 VanDerWaalsContact O-N 3.11Å; Q9-E12 PolarHBondContact O-N 3.48Å; E10-E12 VanDerWaalsContact C-N 3.32Å; E10-E12 PolarHBondContact O-N 3.38Å; E12-R15 PolarHBondContact O-N 2.77Å; E12-R15 IonicContact OE2-NH1 3.46Å; E12-R15 PolarHBondContact OE2-NH1 3.29Å; E12-R15 VanDerWaalsContact OE2-NH1 3.15Å; E12-N16 PolarHBondContact O-N 2.89Å; E12-N16 PolarHBondContact O-ND2 2.92Å; E12-N16 VanDerWaalsContact O-ND2 3.09Å
13	Q	98.3	Very high	97.4	Very high	112 Å²	112	102.5 Å²	102.5	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-45.8	173.5	-175.4	178.1	-0.6	0	0	111.5	Q9 E10 R15 N16 Q17	Q9-Q13 WeakPolarHBondContact O-CB 3.34Å; Q9-Q13 PolarHBondContact O-N 3.4Å; E10-Q13 WeakPolarHBondContact O-CB 3.46Å; E10-Q13 PolarHBondContact O-N 3.4Å; Q13-R15 PolarHBondContact O-N 3.05Å; Q13-N16 PolarHBondContact O-N 2.9Å; Q13-Q17 WeakPolarHBondContact O-CG 3.37Å; Q13-Q17 PolarHBondContact O-N 2.74Å
14	L	98.4	Very high	97.4	Very high	84 Å²	84	99.5 Å²	99.5	44%	0.44	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-40.4	176.7	-71.1	170.2	0	0	0	111.9	E10 A11 N16 Q17 I18	E10-L14 HydrophobicContact CG-CD1 4.22Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.26Å; A11-L14 PolarHBondContact O-N 3.32Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 2.84Å; L14-Q17 PolarHBondContact O-N 2.8Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.42Å
15	R	96.9	Very high	97.5	Very high	150 Å²	150	99.2 Å²	99.2	57%	0.566	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-42	174.1	-75.6	174.6	-176.7	154.4	-2	112.5	A11 E12 Q13 I18 R19	A11-R15 WeakPolarHBondContact O-CG 3.44Å; A11-R15 PolarHBondContact O-N 3.29Å; E12-R15 PolarHBondContact O-N 2.77Å; E12-R15 IonicContact OE2-NH1 3.46Å; E12-R15 PolarHBondContact OE2-NH1 3.29Å; E12-R15 VanDerWaalsContact OE2-NH1 3.15Å; Q13-R15 PolarHBondContact O-N 3.05Å; R15-I18 PolarHBondContact O-N 3.41Å; R15-R19 WeakPolarHBondContact O-CB 3.41Å; R15-R19 PolarHBondContact O-N 3.14Å
16	N	97.8	Very high	97.3	Very high	56 Å²	56	96.5 Å²	96.5	30%	0.299	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-41.3	176.9	-71.3	-38.3	0	0	0	111.4	E12 Q13 L14 I18 R19 D20	E12-N16 PolarHBondContact O-N 2.89Å; E12-N16 PolarHBondContact O-ND2 2.92Å; E12-N16 VanDerWaalsContact O-ND2 3.09Å; Q13-N16 PolarHBondContact O-N 2.9Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 2.84Å; N16-I18 VanDerWaalsContact C-N 3.34Å; N16-I18 PolarHBondContact O-N 3.13Å; N16-R19 WeakPolarHBondContact O-CB 3.25Å; N16-R19 PolarHBondContact O-N 3.41Å; N16-R19 PolarHBondContact OD1-NH1 3.1Å; N16-D20 WeakPolarHBondContact O-CB 3.38Å; N16-D20 VanDerWaalsContact O-CG 3.32Å; N16-D20 PolarHBondContact O-N 3Å
17	Q	98.5	Very high	97.2	Very high	101 Å²	101	98.9 Å²	98.9	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-58.7	-44	173.8	-71	173.5	9.8	0	0	112.3	Q13 L14 D20 A21	Q13-Q17 WeakPolarHBondContact O-CG 3.37Å; Q13-Q17 PolarHBondContact O-N 2.74Å; L14-Q17 PolarHBondContact O-N 2.8Å; Q17-D20 PolarHBondContact O-N 3.3Å; Q17-A21 WeakPolarHBondContact O-CB 3.33Å; Q17-A21 PolarHBondContact O-N 3.37Å
18	I	98.1	Very high	97.1	Very high	81 Å²	81	96.2 Å²	96.2	42%	0.415	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-44	176	-68.1	165.7	0	0	0	110.6	L14 R15 N16 D20 A21 R22	L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.42Å; R15-I18 PolarHBondContact O-N 3.41Å; N16-I18 VanDerWaalsContact C-N 3.34Å; N16-I18 PolarHBondContact O-N 3.13Å; I18-D20 PolarHBondContact O-N 3.5Å; I18-A21 PolarHBondContact O-N 3.42Å; I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.39Å; I18-R22 PolarHBondContact O-N 2.76Å
19	R	97.1	Very high	97	Very high	145 Å²	145	91 Å²	91	55%	0.547	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-44.9	178	-170.7	-174.7	-56.8	158.2	9.1	111.7	R15 N16 R22 K23	R15-R19 WeakPolarHBondContact O-CB 3.41Å; R15-R19 PolarHBondContact O-N 3.14Å; N16-R19 WeakPolarHBondContact O-CB 3.25Å; N16-R19 PolarHBondContact O-N 3.41Å; N16-R19 PolarHBondContact OD1-NH1 3.1Å; R19-R22 PolarHBondContact O-N 2.98Å; R19-K23 WeakPolarHBondContact O-CB 3.48Å; R19-K23 PolarHBondContact O-N 3.39Å
20	D	98.1	Very high	96.9	Very high	105 Å²	105	87.3 Å²	87.3	56%	0.561	47%	0.468	S	S	*	.	H	α-helix	trans	-66.2	-40.2	178.5	-69.4	-22.6	0	0	0	111.3	N16 Q17 I18 K23 A24	N16-D20 WeakPolarHBondContact O-CB 3.38Å; N16-D20 VanDerWaalsContact O-CG 3.32Å; N16-D20 PolarHBondContact O-N 3Å; Q17-D20 PolarHBondContact O-N 3.3Å; I18-D20 PolarHBondContact O-N 3.5Å; D20-K23 PolarHBondContact O-N 3.11Å; D20-A24 WeakPolarHBondContact O-CB 3.5Å; D20-A24 PolarHBondContact O-N 3.39Å
21	A	98.4	Very high	96.6	Very high	57 Å²	57	85.4 Å²	85.4	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-45.2	175.3	0	0	0	0	0	112.4	Q17 I18 A24 C25	Q17-A21 WeakPolarHBondContact O-CB 3.33Å; Q17-A21 PolarHBondContact O-N 3.37Å; I18-A21 PolarHBondContact O-N 3.42Å; A21-A24 PolarHBondContact O-N 3.34Å; A21-C25 PolarHBondContact O-N 2.8Å; A21-C25 PolarHBondContact O-SG 3.46Å
22	R	97.8	Very high	96.5	Very high	38 Å²	38	89.1 Å²	89.1	14%	0.143	47%	0.474	C	S	.	.	H	α-helix	trans	-60.3	-46.7	175.1	-73.1	173	179.5	176.7	-6	111.4	I18 R19 A24 C25 G26 T221 T223 D258 Q259	I18-R22 HydrophobicContact CG2-CG 4.45Å; I18-R22 WeakPolarHBondContact O-CG 3.39Å; I18-R22 PolarHBondContact O-N 2.76Å; R19-R22 PolarHBondContact O-N 2.98Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.12Å; R22-C25 PolarHBondContact O-N 2.71Å; R22-C25 VanDerWaalsContact O-N 3.1Å; R22-G26 PolarHBondContact O-N 2.81Å; R22-G26 VanDerWaalsContact O-N 3.15Å; R22-T221 PolarHBondContact NH2-O 2.94Å; R22-T223 PolarHBondContact NH1-OG1 2.77Å; R22-T223 VanDerWaalsContact NH1-OG1 3.17Å; R22-D258 WeakPolarHBondContact CD-O 3.1Å; R22-D258 VanDerWaalsContact CZ-O 3.25Å; R22-D258 IonicContact CZ-OD2 3.25Å; R22-D258 VanDerWaalsContact CZ-OD2 3.25Å; R22-D258 PolarHBondContact NE-O 2.97Å; R22-D258 IonicContact NE-OD2 2.85Å; R22-D258 PolarHBondContact NE-OD2 3.29Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 3.67Å; R22-D258 IonicContact NH2-OD2 2.78Å; R22-D258 PolarHBondContact NH2-OD2 3.34Å; R22-Q259 HydrophobicContact CG-CB 4.35Å; R22-Q259 PolarHBondContact O-NE2 3.47Å; R22-Q259 PolarHBondContact O-OE1 3.2Å
23	K	96.2	Very high	96.5	Very high	166 Å²	166	91.6 Å²	91.6	72%	0.722	49%	0.487	S	S	*	.	H	α-helix	trans	-61.8	-37.8	177.7	-172.8	177.6	-179.9	-179.2	0	112.3	R19 D20 C25 G26	R19-K23 WeakPolarHBondContact O-CB 3.48Å; R19-K23 PolarHBondContact O-N 3.39Å; D20-K23 PolarHBondContact O-N 3.11Å; K23-C25 PolarHBondContact O-N 3.02Å; K23-G26 PolarHBondContact O-N 3.2Å
24	A	97.4	Very high	96.3	Very high	86 Å²	86	86.6 Å²	86.6	71%	0.711	47%	0.465	S	S	*	.	H	α-helix	trans	-64.4	-28.3	176.5	0	0	0	0	0	112.9	D20 A21 R22	D20-A24 WeakPolarHBondContact O-CB 3.5Å; D20-A24 PolarHBondContact O-N 3.39Å; A21-A24 PolarHBondContact O-N 3.34Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.12Å
25	C	96.4	Very high	96.1	Very high	89 Å²	89	86.1 Å²	86.1	60%	0.601	47%	0.473	S	S	*	.	H	α-helix	trans	-90.9	-7.1	176.4	-63	0	0	0	0	114.1	A21 R22 K23 D27	A21-C25 PolarHBondContact O-N 2.8Å; A21-C25 PolarHBondContact O-SG 3.46Å; R22-C25 PolarHBondContact O-N 2.71Å; R22-C25 VanDerWaalsContact O-N 3.1Å; K23-C25 PolarHBondContact O-N 3.02Å; C25-D27 VanDerWaalsContact C-N 3.35Å; C25-D27 PolarHBondContact O-N 2.89Å; C25-D27 VanDerWaalsContact O-N 3.08Å
26	G	92.3	Very high	96	Very high	47 Å²	47	84.3 Å²	84.3	49%	0.485	48%	0.483	S	S	.	.			trans	-83	71.4	-178.7	0	0	0	0	0	112.5	R22 K23	R22-G26 PolarHBondContact O-N 2.81Å; R22-G26 VanDerWaalsContact O-N 3.15Å; K23-G26 PolarHBondContact O-N 3.2Å
27	D	95	Very high	96	Very high	156 Å²	156	85 Å²	85	83%	0.834	49%	0.487	S	S	*	.			trans	-81.8	-27.6	-175	64.6	-20.2	0	0	0	114.4	C25	C25-D27 VanDerWaalsContact C-N 3.35Å; C25-D27 PolarHBondContact O-N 2.89Å; C25-D27 VanDerWaalsContact O-N 3.08Å
28	S	95.1	Very high	95.9	Very high	40 Å²	40	86.6 Å²	86.6	28%	0.28	50%	0.498	S	S	.	.			trans	-151.4	178.8	176.9	-166.2	0	0	0	0	112.1	Q32 M33	S28-Q32 PolarHBondContact OG-OE1 3.31Å; S28-M33 WeakPolarHBondContact OG-CE 3.3Å
29	T	94.8	Very high	95.7	Very high	61 Å²	61	86.7 Å²	86.7	37%	0.374	50%	0.504	S	S	.	.			trans	-113.6	154.9	174.1	69.6	0	0	0	0	110.7	T31 Q32 M33	T29-T31 PolarHBondContact O-N 2.84Å; T29-T31 PolarHBondContact OG1-OG1 2.99Å; T29-Q32 PolarHBondContact O-N 2.81Å; T29-Q32 VanDerWaalsContact O-N 3.15Å; T29-Q32 VanDerWaalsContact OG1-CG 3.31Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.38Å; T29-Q32 PolarHBondContact OG1-N 3.11Å; T29-M33 WeakPolarHBondContact O-CG 3.38Å; T29-M33 PolarHBondContact O-N 3.04Å; T29-M33 VanDerWaalsContact O-N 3.09Å
30	L	95.7	Very high	95.7	Very high	35 Å²	35	82.1 Å²	82.1	18%	0.183	49%	0.492	C	S	.	.	H	α-helix	trans	-57.9	-38.8	176.6	-177.6	60.4	0	0	0	111.9	Q32 M33 A34 L252 L261 S262 A299 M300	L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.27Å; L30-M33 PolarHBondContact O-N 2.92Å; L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.13Å; L30-L252 HydrophobicContact CD2-CD2 3.88Å; L30-L261 HydrophobicContact CB-CB 4.48Å; L30-S262 WeakPolarHBondContact CB-OG 3.12Å; L30-S262 WeakPolarHBondContact CD2-OG 3.41Å; L30-A299 WeakPolarHBondContact CD2-O 3.47Å; L30-M300 HydrophobicContact CD1-SD 4.32Å
31	T	93	Very high	95.6	Very high	66 Å²	66	79 Å²	79	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-37	178.4	51.3	0	0	0	0	113.1	T29 A35 K301	T29-T31 PolarHBondContact O-N 2.84Å; T29-T31 PolarHBondContact OG1-OG1 2.99Å; T31-A35 PolarHBondContact O-N 2.9Å; T31-K301 WeakPolarHBondContact CG2-O 3.46Å
32	Q	94.7	Very high	95.6	Very high	119 Å²	119	86.2 Å²	86.2	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-68.6	-43.7	173.7	-72.8	172.8	-3.1	0	0	111.3	S28 T29 L30 A34 A35	S28-Q32 PolarHBondContact OG-OE1 3.31Å; T29-Q32 PolarHBondContact O-N 2.81Å; T29-Q32 VanDerWaalsContact O-N 3.15Å; T29-Q32 VanDerWaalsContact OG1-CG 3.31Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.38Å; T29-Q32 PolarHBondContact OG1-N 3.11Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-Q32 PolarHBondContact O-N 3.27Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.82Å; Q32-A35 VanDerWaalsContact O-CB 3.26Å; Q32-A35 WeakPolarHBondContact O-CB 3.29Å; Q32-A35 PolarHBondContact O-N 2.83Å
33	M	96	Very high	95.6	Very high	130 Å²	130	86.4 Å²	86.4	64%	0.64	50%	0.504	S	S	*	.	H	α-helix	trans	-66.6	-30.3	177.8	-64.5	-64.9	89	0	0	112.9	S28 T29 L30	S28-M33 WeakPolarHBondContact OG-CE 3.3Å; T29-M33 WeakPolarHBondContact O-CG 3.38Å; T29-M33 PolarHBondContact O-N 3.04Å; T29-M33 VanDerWaalsContact O-N 3.09Å; L30-M33 PolarHBondContact O-N 2.92Å
34	A	95.3	Very high	95.7	Very high	6 Å²	6	84.6 Å²	84.6	5%	0.05	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5	178.2	0	0	0	0	0	114	L30 Q32 S36 L37 M300	L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 3.13Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-A34 PolarHBondContact O-N 2.82Å; A34-S36 PolarHBondContact O-N 2.9Å; A34-S36 VanDerWaalsContact O-N 3.16Å; A34-L37 HydrophobicContact CB-CD1 3.93Å; A34-L37 WeakPolarHBondContact O-CB 3.4Å; A34-L37 PolarHBondContact O-N 3.41Å; A34-M300 HydrophobicContact CB-CB 3.97Å; A34-M300 WeakPolarHBondContact CB-O 3.15Å
35	A	93.8	Very high	95.7	Very high	75 Å²	75	82.6 Å²	82.6	62%	0.62	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-31	-172.3	0	0	0	0	0	113.8	T31 Q32	T31-A35 PolarHBondContact O-N 2.9Å; Q32-A35 VanDerWaalsContact O-CB 3.26Å; Q32-A35 WeakPolarHBondContact O-CB 3.29Å; Q32-A35 PolarHBondContact O-N 2.83Å
36	S	95.5	Very high	95.8	Very high	111 Å²	111	86.5 Å²	86.5	78%	0.776	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.2	178.4	60	0	0	0	0	114.3	A34	A34-S36 PolarHBondContact O-N 2.9Å; A34-S36 VanDerWaalsContact O-N 3.16Å
37	L	96.1	Very high	96.1	Very high	71 Å²	71	86.9 Å²	86.9	37%	0.372	47%	0.469	S	S	.	.	S	Bend	trans	-72.9	142.9	178.1	-66.4	177.1	0	0	0	110.1	A34 M300 K301	A34-L37 HydrophobicContact CB-CD1 3.93Å; A34-L37 WeakPolarHBondContact O-CB 3.4Å; A34-L37 PolarHBondContact O-N 3.41Å; L37-M300 HydrophobicContact CD1-CB 3.93Å; L37-M300 HydrophobicContact CD1-CG 4.13Å; L37-K301 WeakPolarHBondContact O-CE 3.35Å; L37-K301 PolarHBondContact O-NZ 3.36Å
38	D	96.3	Very high	96.3	Very high	134 Å²	134	85 Å²	85	72%	0.717	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-71.4	143.9	170.1	-69.3	-41.9	0	0	0	110.8	R283	D38-R283 PolarHBondContact O-NH2 3.39Å
39	P	95.5	Very high	96.5	Very high	83 Å²	83	88.3 Å²	88.3	54%	0.539	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-58.8	146.6	171	-16.8	28.8	0	0	0	111.1	G41	P39-G41 PolarHBondContact O-N 2.78Å; P39-G41 VanDerWaalsContact O-N 3.07Å
40	V	96.8	Very high	96.6	Very high	49 Å²	49	86.7 Å²	86.7	30%	0.297	45%	0.447	S	S	.	.			trans	-64.6	-9.9	174	-68.9	0	0	0	0	114.2	I43 R283 L284 D298 A305	V40-I43 HydrophobicContact CG2-CG1 4.44Å; V40-R283 HydrophobicContact CG1-CG 3.58Å; V40-L284 HydrophobicContact CG1-CD2 4.26Å; V40-L284 HydrophobicContact CG2-CD2 4.09Å; V40-D298 HydrophobicContact CG2-CB 4.2Å; V40-A305 HydrophobicContact CG2-CB 3.59Å
41	G	96.5	Very high	96.8	Very high	41 Å²	41	85 Å²	85	42%	0.423	44%	0.438	S	S	.	.			trans	74.9	-177.4	-170.9	0	0	0	0	0	112.3	P39 I43	P39-G41 PolarHBondContact O-N 2.78Å; P39-G41 VanDerWaalsContact O-N 3.07Å; G41-I43 PolarHBondContact O-N 2.79Å
42	R	97.5	Very high	97.1	Very high	207 Å²	207	89.2 Å²	89.2	78%	0.781	45%	0.447	S	S	*	.			trans	-77.8	116	-178.9	-172.9	176.7	178	-179	4	110.4	Q44 A305	R42-Q44 HydrophobicContact CG-CG 4.12Å; R42-A305 CarbonylContact C-O 3.6Å; R42-A305 WeakPolarHBondContact CA-O 3.44Å
43	I	98.2	Very high	97.2	Very high	42 Å²	42	84.8 Å²	84.8	22%	0.215	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-81.3	121	176.3	-56.1	-59.4	0	0	0	109.3	V40 G41 M45 L284 I296 A305	V40-I43 HydrophobicContact CG2-CG1 4.44Å; G41-I43 PolarHBondContact O-N 2.79Å; I43-M45 HydrophobicContact CG2-CG 3.87Å; I43-M45 HydrophobicContact CG2-SD 4.36Å; I43-L284 HydrophobicContact CD1-CD1 4.43Å; I43-L284 HydrophobicContact CG1-CD1 4.32Å; I43-L284 HydrophobicContact CG1-CD2 4.32Å; I43-I296 HydrophobicContact CB-CD1 4.3Å; I43-I296 HydrophobicContact CG2-CD1 3.69Å; I43-A305 HydrophobicContact CG1-CB 3.94Å; I43-A305 PolarHBondContact N-O 3.45Å
44	Q	97.6	Very high	97.3	Very high	128 Å²	128	79 Å²	79	60%	0.598	41%	0.405	S	S	*	.			trans	-125.8	73.5	-179.5	-64.6	-173.9	-10	0	0	110.5	R42	R42-Q44 HydrophobicContact CG-CG 4.12Å
45	M	98.3	Very high	97.4	Very high	44 Å²	44	85.7 Å²	85.7	22%	0.217	44%	0.439	C	S	.	.			trans	-73.5	150.7	173.1	-53.3	170.6	84.9	0	0	109.8	I43 I296 L308 A327 W339	I43-M45 HydrophobicContact CG2-CG 3.87Å; I43-M45 HydrophobicContact CG2-SD 4.36Å; M45-I296 HydrophobicContact CG-CD1 4.47Å; M45-I296 HydrophobicContact SD-CD1 3.82Å; M45-L308 HydrophobicContact CB-CD2 3.72Å; M45-L308 HydrophobicContact CG-CD2 4.24Å; M45-L308 HydrophobicContact SD-CD1 4.45Å; M45-L308 HydrophobicContact SD-CD2 4.1Å; M45-A327 HydrophobicContact CE-CB 4.28Å; M45-W339 HydrophobicContact CB-CB 4.17Å; M45-W339 HydrophobicContact CE-CB 4.11Å; M45-W339 WeakPolarHBondContact CE-O 3.26Å
46	R	98.3	Very high	97.6	Very high	171 Å²	171	83.6 Å²	83.6	65%	0.645	42%	0.422	S	S	*	.			trans	-118.4	147.5	176.4	-63.5	-175.1	-178.8	-168.7	0.1	110.1	R48 W339 N340	R46-R48 PolarHBondContact O-N 2.94Å; R46-R48 VanDerWaalsContact O-N 3.14Å; R46-W339 WeakPolarHBondContact O-CA 3.07Å; R46-N340 PolarHBondContact N-O 3.29Å; R46-N340 VanDerWaalsContact N-O 3.16Å; R46-N340 PolarHBondContact O-N 2.91Å
47	T	98.7	Very high	97.8	Very high	55 Å²	55	81.9 Å²	81.9	34%	0.337	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	117.7	169.4	-49.5	0	0	0	0	109.2	R49 K337 I338 W339	T47-R49 VanDerWaalsContact CG2-O 3.23Å; T47-R49 WeakPolarHBondContact CG2-O 3.09Å; T47-K337 HydrophobicContact CG2-CB 3.99Å; T47-K337 HydrophobicContact CG2-CD 4.27Å; T47-K337 HydrophobicContact CG2-CG 4.1Å; T47-I338 CarbonylContact C-O 3.5Å; T47-I338 WeakPolarHBondContact CA-O 3.36Å; T47-W339 VanDerWaalsContact OG1-CH2 3.3Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.25Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.22Å
48	R	98.6	Very high	97.9	Very high	118 Å²	118	78.5 Å²	78.5	45%	0.445	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-29.4	175.1	-57.3	-51.1	176.1	168.4	-2	112.6	R46 I338 N340	R46-R48 PolarHBondContact O-N 2.94Å; R46-R48 VanDerWaalsContact O-N 3.14Å; R48-I338 PolarHBondContact N-O 2.89Å; R48-N340 WeakPolarHBondContact CG-OD1 3.43Å; R48-N340 PolarHBondContact NE-O 3.44Å; R48-N340 PolarHBondContact NE-OD1 2.91Å; R48-N340 PolarHBondContact NH2-O 3.31Å
49	R	98.6	Very high	98	Very high	108 Å²	108	74.9 Å²	74.9	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148	-179.2	-56.8	-70.2	-174.3	-84.9	-2	110.1	T47 S84 Y85 T87 K337 I338	T47-R49 VanDerWaalsContact CG2-O 3.23Å; T47-R49 WeakPolarHBondContact CG2-O 3.09Å; R49-S84 WeakPolarHBondContact CG-O 3.21Å; R49-Y85 PolarHBondContact NE-O 2.86Å; R49-Y85 PolarHBondContact NH2-O 2.5Å; R49-T87 HydrophobicContact CB-CG2 4.14Å; R49-T87 HydrophobicContact CG-CG2 4.28Å; R49-K337 WeakPolarHBondContact O-CA 3.24Å; R49-I338 HydrophobicContact CB-CB 4.09Å; R49-I338 HydrophobicContact CB-CD1 3.8Å; R49-I338 HydrophobicContact CB-CG1 4.38Å; R49-I338 HydrophobicContact CG-CD1 4.24Å; R49-I338 PolarHBondContact N-O 3.48Å; R49-I338 PolarHBondContact O-N 2.83Å
50	T	98.7	Very high	98.2	Very high	27 Å²	27	71.4 Å²	71.4	17%	0.166	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.2	170.3	-55.9	0	0	0	0	107.7	R52 F335 L336 K337	T50-R52 HydrophobicContact CG2-CG 4.22Å; T50-F335 HydrophobicContact CG2-CB 4.25Å; T50-F335 HydrophobicContact CG2-CD1 4.03Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; T50-L336 CarbonylContact C-O 3.57Å; T50-L336 WeakPolarHBondContact CA-O 3.47Å; T50-K337 HydrophobicContact CG2-CG 4.41Å
51	L	98.8	Very high	98.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.9	179.4	-51.9	-177.4	0	0	0	108.5	L70 W82 T87 L336 I338	L51-L70 HydrophobicContact CD1-CD1 4.16Å; L51-L70 HydrophobicContact CD1-CD2 3.98Å; L51-L70 HydrophobicContact CD1-CG 4.42Å; L51-W82 HydrophobicContact CB-CD2 4.19Å; L51-W82 HydrophobicContact CB-CE3 3.89Å; L51-W82 HydrophobicContact CB-CH2 4.26Å; L51-W82 HydrophobicContact CB-CZ3 3.93Å; L51-W82 HydrophobicContact CD1-CB 3.98Å; L51-W82 HydrophobicContact CD1-CD2 3.99Å; L51-W82 HydrophobicContact CD1-CE3 4.31Å; L51-W82 HydrophobicContact CD1-CG 3.86Å; L51-W82 HydrophobicContact CD2-CE3 4.35Å; L51-W82 HydrophobicContact CG-CE3 4.41Å; L51-T87 HydrophobicContact CD2-CG2 3.86Å; L51-L336 HydrophobicContact CB-CB 4.09Å; L51-L336 HydrophobicContact CB-CD1 4.33Å; L51-L336 HydrophobicContact CD1-CB 4.12Å; L51-L336 HydrophobicContact CG-CB 4.3Å; L51-L336 PolarHBondContact N-O 3.43Å; L51-L336 PolarHBondContact O-N 3.04Å; L51-I338 HydrophobicContact CD1-CD1 4.26Å; L51-I338 HydrophobicContact CD2-CD1 4.24Å; L51-I338 HydrophobicContact CG-CD1 4.31Å
52	R	98.4	Very high	98.4	Very high	154 Å²	154	70 Å²	70	58%	0.581	32%	0.317	S	S	*	.			trans	-116.3	130.4	-176.4	-58.9	-172	171.9	77.3	-2	110	T50 W82 K89 F335	T50-R52 HydrophobicContact CG2-CG 4.22Å; R52-W82 WeakPolarHBondContact O-CZ3 3.15Å; R52-K89 VanDerWaalsContact O-CE 3.29Å; R52-K89 WeakPolarHBondContact O-CE 3.42Å; R52-K89 PolarHBondContact O-NZ 2.78Å; R52-F335 HydrophobicContact CB-CE1 4.38Å; R52-F335 HydrophobicContact CG-CD1 3.86Å; R52-F335 HydrophobicContact CG-CE1 3.75Å
53	G	97.4	Very high	98.5	Very high	27 Å²	27	60.8 Å²	60.8	28%	0.278	28%	0.282	S	S	.	.			trans	163.6	-20.8	174.6	0	0	0	0	0	116.7	K89	G53-K89 VanDerWaalsContact CA-CE 3.5Å
54	H	98.5	Very high	98.5	Very high	8 Å²	8	59 Å²	59	4%	0.037	27%	0.274	C	S	.	.			trans	-72.2	150.4	167.2	-74.9	-63.6	0	0	0	110.4	I58 S72 S74 D76 K78 W82	H54-I58 HydrophobicContact CB-CD1 4.41Å; H54-I58 HydrophobicContact CB-CG1 4.15Å; H54-S72 PolarHBondContact NE2-OG 3.28Å; H54-S74 VanDerWaalsContact CE1-CB 3.4Å; H54-S74 WeakPolarHBondContact CE1-CB 3.47Å; H54-S74 WeakPolarHBondContact ND1-CB 3.4Å; H54-D76 VanDerWaalsContact CA-OD2 3.29Å; H54-D76 WeakPolarHBondContact CA-OD2 3.5Å; H54-D76 IonicContact CG-OD2 3.5Å; H54-D76 IonicContact ND1-OD1 3.91Å; H54-D76 PolarHBondContact ND1-OD1 3.38Å; H54-D76 IonicContact ND1-OD2 3.54Å; H54-D76 PolarHBondContact ND1-OD2 2.95Å; H54-K78 PolarHBondContact CE1-O 2.83Å; H54-W82 AromaticContact CD2-CZ2 3.96Å
55	L	97.9	Very high	98.5	Very high	146 Å²	146	56.3 Å²	56.3	76%	0.764	27%	0.266	S	S	*	.	S	Bend	trans	-111.8	-1.1	179.9	-58.9	179.3	0	0	0	112.5	D76	L55-D76 HydrophobicContact CB-CB 4.29Å; L55-D76 PolarHBondContact N-OD2 3.33Å
56	A	98.4	Very high	98.5	Very high	31 Å²	31	58 Å²	58	26%	0.256	28%	0.276	S	S	.	.	S	Bend	trans	-143.7	-174.4	178.9	0	0	0	0	0	110.5	I58 S74 Q75 D76 S334	A56-I58 PolarHBondContact O-N 3.48Å; A56-S74 PolarHBondContact O-OG 2.89Å; A56-Q75 HydrophobicContact CB-CB 4.24Å; A56-D76 HydrophobicContact CB-CB 3.86Å; A56-S334 WeakPolarHBondContact O-CA 3.2Å; A56-S334 WeakPolarHBondContact O-CB 3.38Å
57	K	98.7	Very high	98.5	Very high	76 Å²	76	50.3 Å²	50.3	33%	0.33	25%	0.249	S	C	.	.			trans	-56.4	132.3	-179.5	-60.7	178.3	179.2	-176.4	0	111.1	Y59 S74 Q75 W332	K57-Y59 HydrophobicContact CB-CD2 4.26Å; K57-Y59 HydrophobicContact CB-CE2 3.9Å; K57-Y59 HydrophobicContact CD-CE2 4.38Å; K57-S74 VanDerWaalsContact O-CA 3.25Å; K57-S74 WeakPolarHBondContact O-CA 3.16Å; K57-S74 WeakPolarHBondContact O-CB 3.28Å; K57-S74 PolarHBondContact O-OG 3Å; K57-Q75 PolarHBondContact O-N 3.24Å; K57-W332 HydrophobicContact CB-CB 4.23Å; K57-W332 HydrophobicContact CB-CG 3.98Å; K57-W332 HydrophobicContact CD-CB 4.26Å; K57-W332 HydrophobicContact CD-CD2 3.78Å; K57-W332 HydrophobicContact CD-CE3 4.13Å; K57-W332 HydrophobicContact CD-CG 3.86Å; K57-W332 HydrophobicContact CG-CB 3.9Å; K57-W332 HydrophobicContact CG-CD2 4.36Å; K57-W332 HydrophobicContact CG-CG 3.9Å
58	I	98.9	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.6	169.4	-64.6	158.7	0	0	0	107.6	H54 A56 S316 S331 S334 F335 L336	H54-I58 HydrophobicContact CB-CD1 4.41Å; H54-I58 HydrophobicContact CB-CG1 4.15Å; A56-I58 PolarHBondContact O-N 3.48Å; I58-S316 VanDerWaalsContact O-CB 3.3Å; I58-S316 WeakPolarHBondContact O-CB 3.34Å; I58-S316 PolarHBondContact O-OG 3.44Å; I58-S331 WeakPolarHBondContact CB-O 3.2Å; I58-S331 PolarHBondContact N-O 2.91Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; I58-S334 WeakPolarHBondContact CD1-O 3.48Å; I58-F335 WeakPolarHBondContact CD1-O 3.48Å; I58-L336 HydrophobicContact CD1-CD1 3.48Å; I58-L336 VanDerWaalsContact CD1-CD1 3.48Å; I58-L336 HydrophobicContact CD1-CG 3.85Å
59	Y	98.7	Very high	98.5	Very high	57 Å²	57	47 Å²	47	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-39.1	-179.8	-92.9	-106.7	0	0	0	112.6	K57 A73 Q75 M101 W332	K57-Y59 HydrophobicContact CB-CD2 4.26Å; K57-Y59 HydrophobicContact CB-CE2 3.9Å; K57-Y59 HydrophobicContact CD-CE2 4.38Å; Y59-A73 PolarHBondContact N-O 3.1Å; Y59-Q75 HydrophobicContact CD2-CG 3.79Å; Y59-Q75 HydrophobicContact CE2-CG 3.59Å; Y59-Q75 PolarHBondContact OH-NE2 2.6Å; Y59-M101 HydrophobicContact CD1-CG 4.45Å; Y59-W332 AromaticContact CE2-NE1 3.78Å; Y59-W332 AromaticContact CZ-NE1 3.95Å
60	A	98.8	Very high	98.5	Very high	11 Å²	11	41.9 Å²	41.9	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.2	-177	0	0	0	0	0	111.4	S72 A73 C317	A60-S72 WeakPolarHBondContact O-CA 3.28Å; A60-A73 PolarHBondContact O-N 3.21Å; A60-C317 VanDerWaalsContact C-SG 3.58Å
61	M	98.8	Very high	98.5	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.044	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.7	166.7	71.8	80	51.9	0	0	109.7	W63 L70 V71 C317 C328 L336	M61-W63 HydrophobicContact CE-CD2 4.35Å; M61-W63 HydrophobicContact CE-CG 4.27Å; M61-L70 HydrophobicContact CE-CB 4Å; M61-L70 HydrophobicContact CE-CD1 3.94Å; M61-L70 HydrophobicContact CE-CD2 4.05Å; M61-L70 HydrophobicContact CE-CG 4.23Å; M61-V71 CarbonylContact C-O 3.54Å; M61-V71 WeakPolarHBondContact CA-O 3.36Å; M61-V71 WeakPolarHBondContact CB-O 3.41Å; M61-C317 HydrophobicContact CG-CB 4.18Å; M61-C328 HydrophobicContact CE-CB 3.58Å; M61-C328 HydrophobicContact SD-CB 4.25Å; M61-L336 HydrophobicContact CB-CD2 3.77Å; M61-L336 HydrophobicContact CG-CD2 4.19Å
62	H	98.9	Very high	98.5	Very high	50 Å²	50	40.6 Å²	40.6	23%	0.231	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	130.3	174.2	-166.3	-115.2	0	0	0	109.9	L70 V71 Y105	H62-L70 CarbonylContact O-C 3.41Å; H62-L70 WeakPolarHBondContact O-CA 3.46Å; H62-L70 WeakPolarHBondContact O-CB 3.23Å; H62-V71 HydrophobicContact CB-CG1 4.03Å; H62-V71 PolarHBondContact N-O 2.86Å; H62-V71 PolarHBondContact O-N 2.97Å; H62-Y105 PolarHBondContact ND1-N 2.77Å; H62-Y105 VanDerWaalsContact ND1-N 3.12Å
63	W	98.9	Very high	98.5	Very high	14 Å²	14	33.3 Å²	33.3	5%	0.053	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.9	171.4	-73.3	107.7	0	0	0	110.5	M61 L70 G319 T321 C328 I338	M61-W63 HydrophobicContact CE-CD2 4.35Å; M61-W63 HydrophobicContact CE-CG 4.27Å; W63-L70 HydrophobicContact CD2-CB 4.09Å; W63-L70 HydrophobicContact CD2-CD2 4.26Å; W63-L70 HydrophobicContact CE3-CB 3.74Å; W63-L70 HydrophobicContact CE3-CD2 3.91Å; W63-L70 HydrophobicContact CE3-CG 4.45Å; W63-L70 HydrophobicContact CH2-CD2 3.64Å; W63-L70 HydrophobicContact CZ2-CD2 4.02Å; W63-L70 HydrophobicContact CZ3-CB 4.2Å; W63-L70 HydrophobicContact CZ3-CD2 3.58Å; W63-L70 HydrophobicContact CZ3-CG 4.45Å; W63-G319 PolarHBondContact NE1-O 3.16Å; W63-T321 HydrophobicContact CD2-CG2 3.67Å; W63-T321 HydrophobicContact CE3-CG2 3.84Å; W63-T321 HydrophobicContact CG-CG2 4.24Å; W63-T321 HydrophobicContact CH2-CG2 3.88Å; W63-T321 HydrophobicContact CZ2-CG2 3.68Å; W63-T321 HydrophobicContact CZ3-CG2 3.95Å; W63-C328 HydrophobicContact CZ2-CB 3.49Å; W63-C328 VanDerWaalsContact CZ2-CB 3.49Å; W63-I338 HydrophobicContact CH2-CD1 4.38Å; W63-I338 HydrophobicContact CH2-CG1 4.31Å
64	A	98.4	Very high	98.6	Very high	5 Å²	5	32 Å²	32	4%	0.041	17%	0.166	C	C	.	.			trans	-80.1	159.2	160.9	0	0	0	0	0	109.7	D66 S67 L69 Y105	A64-D66 PolarHBondContact O-N 3.36Å; A64-D66 VanDerWaalsContact O-N 3.14Å; A64-S67 PolarHBondContact O-N 3.3Å; A64-S67 VanDerWaalsContact O-N 3.1Å; A64-L69 HydrophobicContact CB-CB 3.89Å; A64-L69 WeakPolarHBondContact CB-O 3.4Å; A64-L69 PolarHBondContact N-O 2.84Å; A64-Y105 HydrophobicContact CB-CD1 3.98Å; A64-Y105 HydrophobicContact CB-CD2 3.87Å; A64-Y105 HydrophobicContact CB-CE1 4.09Å; A64-Y105 HydrophobicContact CB-CE2 3.92Å; A64-Y105 HydrophobicContact CB-CG 3.89Å
65	T	97.9	Very high	98.5	Very high	71 Å²	71	33.4 Å²	33.4	44%	0.436	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.6	-179.1	49.5	0	0	0	0	113.7	S67 P107 D322	T65-S67 PolarHBondContact O-N 3.43Å; T65-P107 HydrophobicContact CG2-CB 4.16Å; T65-P107 PolarHBondContact OG1-O 3.32Å; T65-D322 WeakPolarHBondContact CA-OD2 3.43Å
66	D	97.9	Very high	98.5	Very high	81 Å²	81	28.3 Å²	28.3	43%	0.433	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.5	174.5	74.3	-5.4	0	0	0	113.7	A64 K68 L69	A64-D66 PolarHBondContact O-N 3.36Å; A64-D66 VanDerWaalsContact O-N 3.14Å; D66-K68 PolarHBondContact O-N 3.22Å; D66-K68 PolarHBondContact OD1-N 2.9Å; D66-L69 PolarHBondContact OD1-N 3.28Å; D66-L69 WeakPolarHBondContact OD2-CG 3.15Å
67	S	98.4	Very high	98.4	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.063	14%	0.139	C	C	.	.	S	Bend	trans	56.6	21	-178.7	-62.3	0	0	0	0	114.1	A64 T65 D322 D323	A64-S67 PolarHBondContact O-N 3.3Å; A64-S67 VanDerWaalsContact O-N 3.1Å; T65-S67 PolarHBondContact O-N 3.43Å; S67-D322 PolarHBondContact OG-N 3.27Å; S67-D323 VanDerWaalsContact CB-CG 3.46Å; S67-D323 WeakPolarHBondContact CB-OD2 2.88Å; S67-D323 PolarHBondContact OG-N 2.92Å
68	K	98	Very high	98.3	Very high	70 Å²	70	27.4 Å²	27.4	30%	0.304	14%	0.139	S	C	.	.	S	Bend	trans	-130.8	-51.1	-174.5	-176.7	-170	175.8	-155.8	0	111.7	D66 D83 S84 Y85	D66-K68 PolarHBondContact O-N 3.22Å; D66-K68 PolarHBondContact OD1-N 2.9Å; K68-D83 WeakPolarHBondContact CE-OD1 3.42Å; K68-D83 WeakPolarHBondContact CE-OD2 3.1Å; K68-D83 IonicContact NZ-OD1 3.21Å; K68-D83 IonicContact NZ-OD2 2.8Å; K68-D83 PolarHBondContact NZ-OD2 2.91Å; K68-S84 WeakPolarHBondContact O-CB 3.21Å; K68-S84 PolarHBondContact O-N 3.1Å; K68-S84 PolarHBondContact O-OG 3.45Å; K68-Y85 HydrophobicContact CG-CD1 4.21Å; K68-Y85 HydrophobicContact CG-CE1 4.36Å; K68-Y85 HydrophobicContact CG-CG 4.3Å
69	L	98.6	Very high	98.3	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.178	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148.8	177.1	-61.9	-179.6	0	0	0	109.8	A64 D66 W82 D83 I90 Y105	A64-L69 HydrophobicContact CB-CB 3.89Å; A64-L69 WeakPolarHBondContact CB-O 3.4Å; A64-L69 PolarHBondContact N-O 2.84Å; D66-L69 PolarHBondContact OD1-N 3.28Å; D66-L69 WeakPolarHBondContact OD2-CG 3.15Å; L69-W82 VanDerWaalsContact CA-O 3.28Å; L69-W82 WeakPolarHBondContact CA-O 3.03Å; L69-W82 WeakPolarHBondContact CD2-O 3.07Å; L69-D83 HydrophobicContact CD2-CB 4.08Å; L69-I90 HydrophobicContact CD2-CG1 4.11Å; L69-Y105 HydrophobicContact CB-CE2 4.26Å
70	L	98.8	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.7	170.3	69	93.1	0	0	0	110.2	L51 M61 H62 W63 V81 W82 L336	L51-L70 HydrophobicContact CD1-CD1 4.16Å; L51-L70 HydrophobicContact CD1-CD2 3.98Å; L51-L70 HydrophobicContact CD1-CG 4.42Å; M61-L70 HydrophobicContact CE-CB 4Å; M61-L70 HydrophobicContact CE-CD1 3.94Å; M61-L70 HydrophobicContact CE-CD2 4.05Å; M61-L70 HydrophobicContact CE-CG 4.23Å; H62-L70 CarbonylContact O-C 3.41Å; H62-L70 WeakPolarHBondContact O-CA 3.46Å; H62-L70 WeakPolarHBondContact O-CB 3.23Å; W63-L70 HydrophobicContact CD2-CB 4.09Å; W63-L70 HydrophobicContact CD2-CD2 4.26Å; W63-L70 HydrophobicContact CE3-CB 3.74Å; W63-L70 HydrophobicContact CE3-CD2 3.91Å; W63-L70 HydrophobicContact CE3-CG 4.45Å; W63-L70 HydrophobicContact CH2-CD2 3.64Å; W63-L70 HydrophobicContact CZ2-CD2 4.02Å; W63-L70 HydrophobicContact CZ3-CB 4.2Å; W63-L70 HydrophobicContact CZ3-CD2 3.58Å; W63-L70 HydrophobicContact CZ3-CG 4.45Å; L70-V81 CarbonylContact O-C 3.5Å; L70-V81 WeakPolarHBondContact O-CA 3.49Å; L70-W82 HydrophobicContact CD1-CB 4.36Å; L70-W82 HydrophobicContact CD1-CG 4.17Å; L70-W82 HydrophobicContact CG-CB 4.23Å; L70-W82 PolarHBondContact N-O 3.06Å; L70-W82 VanDerWaalsContact N-O 3.13Å; L70-W82 PolarHBondContact O-N 3.42Å; L70-L336 HydrophobicContact CD1-CD2 3.97Å
71	V	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.6	172.5	65.8	0	0	0	0	109.7	M61 H62 L79 I80 V81 C103 Y105 V112	M61-V71 CarbonylContact C-O 3.54Å; M61-V71 WeakPolarHBondContact CA-O 3.36Å; M61-V71 WeakPolarHBondContact CB-O 3.41Å; H62-V71 HydrophobicContact CB-CG1 4.03Å; H62-V71 PolarHBondContact N-O 2.86Å; H62-V71 PolarHBondContact O-N 2.97Å; V71-L79 HydrophobicContact CG2-CD1 3.46Å; V71-L79 VanDerWaalsContact CG2-CD1 3.46Å; V71-L79 HydrophobicContact CG2-CD2 4.12Å; V71-L79 HydrophobicContact CG2-CG 3.56Å; V71-I80 CarbonylContact C-O 3.58Å; V71-I80 WeakPolarHBondContact CA-O 3.33Å; V71-V81 HydrophobicContact CB-CG2 4.36Å; V71-V81 HydrophobicContact CG2-CG2 4.13Å; V71-C103 HydrophobicContact CG1-CB 4.3Å; V71-Y105 HydrophobicContact CB-CD2 3.91Å; V71-Y105 HydrophobicContact CB-CE2 4.45Å; V71-Y105 HydrophobicContact CG1-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CG 4.46Å; V71-V112 HydrophobicContact CB-CG1 4.1Å; V71-V112 HydrophobicContact CG1-CG1 4.32Å; V71-V112 HydrophobicContact CG2-CB 4.33Å; V71-V112 HydrophobicContact CG2-CG1 4.08Å
72	S	98.9	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.2	171.9	65.5	0	0	0	0	111.9	H54 A60 L79 I80 W82	H54-S72 PolarHBondContact NE2-OG 3.28Å; A60-S72 WeakPolarHBondContact O-CA 3.28Å; S72-L79 CarbonylContact O-C 3.57Å; S72-L79 WeakPolarHBondContact O-CA 3.2Å; S72-I80 PolarHBondContact N-O 3.34Å; S72-I80 PolarHBondContact O-N 3.03Å; S72-W82 PolarHBondContact OG-NE1 2.64Å
73	A	98.8	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.1	-178.6	0	0	0	0	0	111.4	Y59 A60 L79 V100 C103	Y59-A73 PolarHBondContact N-O 3.1Å; A60-A73 PolarHBondContact O-N 3.21Å; A73-L79 HydrophobicContact CB-CD1 3.73Å; A73-V100 HydrophobicContact CB-CB 4.35Å; A73-V100 HydrophobicContact CB-CG1 3.69Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; A73-C103 HydrophobicContact CB-CB 3.91Å
74	S	98.6	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.4	-176	176.8	0	0	0	0	113	H54 A56 K57 D76 G77 K78 V100	H54-S74 VanDerWaalsContact CE1-CB 3.4Å; H54-S74 WeakPolarHBondContact CE1-CB 3.47Å; H54-S74 WeakPolarHBondContact ND1-CB 3.4Å; A56-S74 PolarHBondContact O-OG 2.89Å; K57-S74 VanDerWaalsContact O-CA 3.25Å; K57-S74 WeakPolarHBondContact O-CA 3.16Å; K57-S74 WeakPolarHBondContact O-CB 3.28Å; K57-S74 PolarHBondContact O-OG 3Å; S74-D76 VanDerWaalsContact CB-OD1 3.29Å; S74-D76 WeakPolarHBondContact CB-OD1 3.44Å; S74-D76 PolarHBondContact O-N 3.06Å; S74-D76 VanDerWaalsContact O-N 3.1Å; S74-D76 PolarHBondContact OG-N 2.87Å; S74-D76 PolarHBondContact OG-OD1 3.11Å; S74-G77 PolarHBondContact O-N 3.03Å; S74-G77 VanDerWaalsContact O-N 3.11Å; S74-K78 PolarHBondContact N-O 3.21Å; S74-K78 VanDerWaalsContact N-O 3.13Å; S74-V100 WeakPolarHBondContact O-CG1 3.32Å
75	Q	97.5	Very high	98.2	Very high	37 Å²	37	27.8 Å²	27.8	17%	0.173	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-4.4	175.2	-77.8	-176.3	-19	0	0	115.1	A56 K57 Y59 G77 S98 W99	A56-Q75 HydrophobicContact CB-CB 4.24Å; K57-Q75 PolarHBondContact O-N 3.24Å; Y59-Q75 HydrophobicContact CD2-CG 3.79Å; Y59-Q75 HydrophobicContact CE2-CG 3.59Å; Y59-Q75 PolarHBondContact OH-NE2 2.6Å; Q75-G77 PolarHBondContact O-N 2.88Å; Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.41Å; Q75-W99 HydrophobicContact CG-CE3 4.39Å; Q75-W99 VanDerWaalsContact NE2-CE3 3.34Å; Q75-W99 VanDerWaalsContact NE2-CZ3 3.34Å
76	D	96.8	Very high	98.2	Very high	40 Å²	40	27.5 Å²	27.5	21%	0.214	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.8	168.3	65.8	5.9	0	0	0	112.7	H54 L55 A56 S74 K78	H54-D76 VanDerWaalsContact CA-OD2 3.29Å; H54-D76 WeakPolarHBondContact CA-OD2 3.5Å; H54-D76 IonicContact CG-OD2 3.5Å; H54-D76 IonicContact ND1-OD1 3.91Å; H54-D76 PolarHBondContact ND1-OD1 3.38Å; H54-D76 IonicContact ND1-OD2 3.54Å; H54-D76 PolarHBondContact ND1-OD2 2.95Å; L55-D76 HydrophobicContact CB-CB 4.29Å; L55-D76 PolarHBondContact N-OD2 3.33Å; A56-D76 HydrophobicContact CB-CB 3.86Å; S74-D76 VanDerWaalsContact CB-OD1 3.29Å; S74-D76 WeakPolarHBondContact CB-OD1 3.44Å; S74-D76 PolarHBondContact O-N 3.06Å; S74-D76 VanDerWaalsContact O-N 3.1Å; S74-D76 PolarHBondContact OG-N 2.87Å; S74-D76 PolarHBondContact OG-OD1 3.11Å; D76-K78 VanDerWaalsContact OD1-CB 3.24Å; D76-K78 WeakPolarHBondContact OD1-CB 3.38Å; D76-K78 PolarHBondContact OD1-N 3.12Å
77	G	96.7	Very high	98.2	Very high	9 Å²	9	26.3 Å²	26.3	9%	0.093	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	30.2	-178.1	0	0	0	0	0	112.5	S74 Q75 L95	S74-G77 PolarHBondContact O-N 3.03Å; S74-G77 VanDerWaalsContact O-N 3.11Å; Q75-G77 PolarHBondContact O-N 2.88Å; G77-L95 WeakPolarHBondContact O-CB 3.43Å; G77-L95 PolarHBondContact O-N 3.12Å
78	K	97.6	Very high	98.2	Very high	78 Å²	78	30.4 Å²	30.4	34%	0.339	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141	176.4	-58.1	-173.2	179.9	179.3	0	112.5	H54 S74 D76 I80 I93	H54-K78 PolarHBondContact CE1-O 2.83Å; S74-K78 PolarHBondContact N-O 3.21Å; S74-K78 VanDerWaalsContact N-O 3.13Å; D76-K78 VanDerWaalsContact OD1-CB 3.24Å; D76-K78 WeakPolarHBondContact OD1-CB 3.38Å; D76-K78 PolarHBondContact OD1-N 3.12Å; K78-I80 HydrophobicContact CB-CG1 4.22Å; K78-I93 WeakPolarHBondContact CA-O 3.5Å
79	L	98.1	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.3	162.7	-170.7	72.8	0	0	0	107.8	V71 S72 A73 I93 L95 C103 V112 C114 Y124	V71-L79 HydrophobicContact CG2-CD1 3.46Å; V71-L79 VanDerWaalsContact CG2-CD1 3.46Å; V71-L79 HydrophobicContact CG2-CD2 4.12Å; V71-L79 HydrophobicContact CG2-CG 3.56Å; S72-L79 CarbonylContact O-C 3.57Å; S72-L79 WeakPolarHBondContact O-CA 3.2Å; A73-L79 HydrophobicContact CB-CD1 3.73Å; L79-I93 HydrophobicContact CB-CB 4.23Å; L79-I93 HydrophobicContact CD2-CD1 4.2Å; L79-I93 PolarHBondContact N-O 2.87Å; L79-I93 PolarHBondContact O-N 2.93Å; L79-L95 HydrophobicContact CB-CD1 4.44Å; L79-L95 HydrophobicContact CB-CD2 3.96Å; L79-L95 HydrophobicContact CB-CG 4.36Å; L79-C103 HydrophobicContact CD1-CB 3.57Å; L79-V112 HydrophobicContact CD2-CB 4.19Å; L79-V112 HydrophobicContact CD2-CG2 3.6Å; L79-C114 HydrophobicContact CD1-CB 4.12Å; L79-C114 HydrophobicContact CD2-CB 4.2Å; L79-Y124 HydrophobicContact CD2-CD2 4.18Å; L79-Y124 HydrophobicContact CD2-CE2 4.37Å
80	I	98.6	Very high	98	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.8	-176.9	-56.4	179	0	0	0	109.4	V71 S72 K78 W82 K89 H91 A92	V71-I80 CarbonylContact C-O 3.58Å; V71-I80 WeakPolarHBondContact CA-O 3.33Å; S72-I80 PolarHBondContact N-O 3.34Å; S72-I80 PolarHBondContact O-N 3.03Å; K78-I80 HydrophobicContact CB-CG1 4.22Å; I80-W82 HydrophobicContact CB-CZ2 3.77Å; I80-W82 HydrophobicContact CD1-CH2 4.12Å; I80-W82 HydrophobicContact CD1-CZ2 3.71Å; I80-W82 HydrophobicContact CG1-CZ2 4.32Å; I80-W82 HydrophobicContact CG2-CD2 3.66Å; I80-W82 HydrophobicContact CG2-CE3 4.21Å; I80-W82 HydrophobicContact CG2-CG 4.14Å; I80-W82 HydrophobicContact CG2-CH2 4.07Å; I80-W82 HydrophobicContact CG2-CZ2 3.48Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.48Å; I80-W82 HydrophobicContact CG2-CZ3 4.4Å; I80-W82 VanDerWaalsContact O-CD1 3.27Å; I80-W82 PolarHBondContact O-NE1 3.24Å; I80-K89 HydrophobicContact CG2-CB 4.1Å; I80-K89 HydrophobicContact CG2-CD 4.19Å; I80-K89 HydrophobicContact CG2-CG 3.88Å; I80-H91 WeakPolarHBondContact CA-O 3.4Å; I80-H91 WeakPolarHBondContact CG2-O 3.31Å; I80-A92 HydrophobicContact CG1-CB 4.42Å
81	V	98.4	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.3	169.6	180	0	0	0	0	108.4	L70 V71 K89 I90 H91 Y105 V112 L126	L70-V81 CarbonylContact O-C 3.5Å; L70-V81 WeakPolarHBondContact O-CA 3.49Å; V71-V81 HydrophobicContact CB-CG2 4.36Å; V71-V81 HydrophobicContact CG2-CG2 4.13Å; V81-K89 CarbonylContact O-C 3.48Å; V81-I90 HydrophobicContact CG1-CB 4.27Å; V81-I90 PolarHBondContact O-N 2.81Å; V81-H91 HydrophobicContact CB-CB 4.11Å; V81-H91 HydrophobicContact CG2-CB 4.26Å; V81-H91 PolarHBondContact N-O 3.2Å; V81-H91 PolarHBondContact O-N 2.76Å; V81-Y105 HydrophobicContact CG1-CE2 3.95Å; V81-V112 HydrophobicContact CG2-CG1 4.23Å; V81-L126 HydrophobicContact CG2-CD1 4.27Å; V81-L126 HydrophobicContact CG2-CD2 4.14Å
82	W	98.8	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.5	-173.1	-49	81.1	0	0	0	111.1	L51 R52 H54 L69 L70 S72 I80 N88 K89 L336	L51-W82 HydrophobicContact CB-CD2 4.19Å; L51-W82 HydrophobicContact CB-CE3 3.89Å; L51-W82 HydrophobicContact CB-CH2 4.26Å; L51-W82 HydrophobicContact CB-CZ3 3.93Å; L51-W82 HydrophobicContact CD1-CB 3.98Å; L51-W82 HydrophobicContact CD1-CD2 3.99Å; L51-W82 HydrophobicContact CD1-CE3 4.31Å; L51-W82 HydrophobicContact CD1-CG 3.86Å; L51-W82 HydrophobicContact CD2-CE3 4.35Å; L51-W82 HydrophobicContact CG-CE3 4.41Å; R52-W82 WeakPolarHBondContact O-CZ3 3.15Å; H54-W82 AromaticContact CD2-CZ2 3.96Å; L69-W82 VanDerWaalsContact CA-O 3.28Å; L69-W82 WeakPolarHBondContact CA-O 3.03Å; L69-W82 WeakPolarHBondContact CD2-O 3.07Å; L70-W82 HydrophobicContact CD1-CB 4.36Å; L70-W82 HydrophobicContact CD1-CG 4.17Å; L70-W82 HydrophobicContact CG-CB 4.23Å; L70-W82 PolarHBondContact N-O 3.06Å; L70-W82 VanDerWaalsContact N-O 3.13Å; L70-W82 PolarHBondContact O-N 3.42Å; S72-W82 PolarHBondContact OG-NE1 2.64Å; I80-W82 HydrophobicContact CB-CZ2 3.77Å; I80-W82 HydrophobicContact CD1-CH2 4.12Å; I80-W82 HydrophobicContact CD1-CZ2 3.71Å; I80-W82 HydrophobicContact CG1-CZ2 4.32Å; I80-W82 HydrophobicContact CG2-CD2 3.66Å; I80-W82 HydrophobicContact CG2-CE3 4.21Å; I80-W82 HydrophobicContact CG2-CG 4.14Å; I80-W82 HydrophobicContact CG2-CH2 4.07Å; I80-W82 HydrophobicContact CG2-CZ2 3.48Å; I80-W82 VanDerWaalsContact CG2-CZ2 3.48Å; I80-W82 HydrophobicContact CG2-CZ3 4.4Å; I80-W82 VanDerWaalsContact O-CD1 3.27Å; I80-W82 PolarHBondContact O-NE1 3.24Å; W82-N88 WeakPolarHBondContact CA-O 3.15Å; W82-K89 HydrophobicContact CE3-CG 3.74Å; W82-K89 HydrophobicContact CH2-CD 4.35Å; W82-K89 HydrophobicContact CH2-CG 4.14Å; W82-K89 HydrophobicContact CZ3-CD 4.15Å; W82-K89 HydrophobicContact CZ3-CG 3.54Å; W82-L336 HydrophobicContact CZ2-CD1 4.25Å
83	D	98.5	Very high	97.6	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.9	157.2	178.5	-28.7	0	0	0	108.4	K68 L69 Y85 T86 T87 N88 I90	K68-D83 WeakPolarHBondContact CE-OD1 3.42Å; K68-D83 WeakPolarHBondContact CE-OD2 3.1Å; K68-D83 IonicContact NZ-OD1 3.21Å; K68-D83 IonicContact NZ-OD2 2.8Å; K68-D83 PolarHBondContact NZ-OD2 2.91Å; L69-D83 HydrophobicContact CD2-CB 4.08Å; D83-Y85 VanDerWaalsContact C-N 3.25Å; D83-Y85 PolarHBondContact O-N 2.96Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; D83-Y85 PolarHBondContact OD1-N 3.06Å; D83-T86 WeakPolarHBondContact CB-OG1 3.3Å; D83-T86 PolarHBondContact OD1-N 3.14Å; D83-T86 PolarHBondContact OD1-OG1 3.49Å; D83-T86 PolarHBondContact OD2-OG1 3.14Å; D83-T87 VanDerWaalsContact O-CA 3.23Å; D83-T87 WeakPolarHBondContact O-CA 3.36Å; D83-T87 PolarHBondContact O-N 3Å; D83-N88 PolarHBondContact N-O 2.83Å; D83-I90 HydrophobicContact CB-CD1 4.03Å; D83-I90 HydrophobicContact CB-CG1 4.19Å
84	S	98.2	Very high	97.4	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.028	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.6	-177.3	63.3	0	0	0	0	113.7	R49 K68 I338	R49-S84 WeakPolarHBondContact CG-O 3.21Å; K68-S84 WeakPolarHBondContact O-CB 3.21Å; K68-S84 PolarHBondContact O-N 3.1Å; K68-S84 PolarHBondContact O-OG 3.45Å; S84-I338 VanDerWaalsContact CB-CD1 3.42Å
85	Y	97.6	Very high	97.2	Very high	135 Å²	135	45.5 Å²	45.5	53%	0.529	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-43.8	-175.3	-74.2	15.7	0	0	0	110.7	R49 K68 D83	R49-Y85 PolarHBondContact NE-O 2.86Å; R49-Y85 PolarHBondContact NH2-O 2.5Å; K68-Y85 HydrophobicContact CG-CD1 4.21Å; K68-Y85 HydrophobicContact CG-CE1 4.36Å; K68-Y85 HydrophobicContact CG-CG 4.3Å; D83-Y85 VanDerWaalsContact C-N 3.25Å; D83-Y85 PolarHBondContact O-N 2.96Å; D83-Y85 WeakPolarHBondContact OD1-CB 3.48Å; D83-Y85 PolarHBondContact OD1-N 3.06Å
86	T	98.2	Very high	96.9	Very high	66 Å²	66	53.1 Å²	53.1	41%	0.405	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.6	-176	64.3	0	0	0	0	113.7	D83 N88	D83-T86 WeakPolarHBondContact CB-OG1 3.3Å; D83-T86 PolarHBondContact OD1-N 3.14Å; D83-T86 PolarHBondContact OD1-OG1 3.49Å; D83-T86 PolarHBondContact OD2-OG1 3.14Å; T86-N88 PolarHBondContact O-N 2.77Å; T86-N88 WeakPolarHBondContact OG1-CB 3.37Å; T86-N88 PolarHBondContact OG1-N 2.82Å; T86-N88 PolarHBondContact OG1-ND2 3.37Å
87	T	98.4	Very high	96.6	Very high	55 Å²	55	52.6 Å²	52.6	34%	0.337	27%	0.269	S	S	.	.			trans	64.7	8	-172.3	74	0	0	0	0	115	R49 L51 D83	R49-T87 HydrophobicContact CB-CG2 4.14Å; R49-T87 HydrophobicContact CG-CG2 4.28Å; L51-T87 HydrophobicContact CD2-CG2 3.86Å; D83-T87 VanDerWaalsContact O-CA 3.23Å; D83-T87 WeakPolarHBondContact O-CA 3.36Å; D83-T87 PolarHBondContact O-N 3Å
88	N	98.1	Very high	96.4	Very high	95 Å²	95	54.6 Å²	54.6	51%	0.508	28%	0.282	S	S	.	.			trans	-71.7	143.6	178.9	-71	-27.2	0	0	0	110.9	W82 D83 T86	W82-N88 WeakPolarHBondContact CA-O 3.15Å; D83-N88 PolarHBondContact N-O 2.83Å; T86-N88 PolarHBondContact O-N 2.77Å; T86-N88 WeakPolarHBondContact OG1-CB 3.37Å; T86-N88 PolarHBondContact OG1-N 2.82Å; T86-N88 PolarHBondContact OG1-ND2 3.37Å
89	K	97.4	Very high	96.2	Very high	100 Å²	100	57.2 Å²	57.2	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.8	169.5	-57.8	176.3	-173.6	70.4	0	107.5	R52 G53 I80 V81 W82	R52-K89 VanDerWaalsContact O-CE 3.29Å; R52-K89 WeakPolarHBondContact O-CE 3.42Å; R52-K89 PolarHBondContact O-NZ 2.78Å; G53-K89 VanDerWaalsContact CA-CE 3.5Å; I80-K89 HydrophobicContact CG2-CB 4.1Å; I80-K89 HydrophobicContact CG2-CD 4.19Å; I80-K89 HydrophobicContact CG2-CG 3.88Å; V81-K89 CarbonylContact O-C 3.48Å; W82-K89 HydrophobicContact CE3-CG 3.74Å; W82-K89 HydrophobicContact CH2-CD 4.35Å; W82-K89 HydrophobicContact CH2-CG 4.14Å; W82-K89 HydrophobicContact CZ3-CD 4.15Å; W82-K89 HydrophobicContact CZ3-CG 3.54Å
90	I	95.6	Very high	96.1	Very high	81 Å²	81	57.4 Å²	57.4	42%	0.415	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-44.2	176.1	-55.1	-57.7	0	0	0	109.6	L69 V81 D83	L69-I90 HydrophobicContact CD2-CG1 4.11Å; V81-I90 HydrophobicContact CG1-CB 4.27Å; V81-I90 PolarHBondContact O-N 2.81Å; D83-I90 HydrophobicContact CB-CD1 4.03Å; D83-I90 HydrophobicContact CB-CG1 4.19Å
91	H	95.4	Very high	96.1	Very high	46 Å²	46	59.5 Å²	59.5	21%	0.213	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.9	174.8	-59.6	-68	0	0	0	110.7	I80 V81 I93 V133	I80-H91 WeakPolarHBondContact CA-O 3.4Å; I80-H91 WeakPolarHBondContact CG2-O 3.31Å; V81-H91 HydrophobicContact CB-CB 4.11Å; V81-H91 HydrophobicContact CG2-CB 4.26Å; V81-H91 PolarHBondContact N-O 3.2Å; V81-H91 PolarHBondContact O-N 2.76Å; H91-I93 HydrophobicContact CB-CG1 4.32Å; H91-V133 WeakPolarHBondContact ND1-CG2 3.26Å
92	A	95.8	Very high	96.1	Very high	60 Å²	60	59.7 Å²	59.7	50%	0.496	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	100.3	168.5	0	0	0	0	0	107.9	I80	I80-A92 HydrophobicContact CG1-CB 4.42Å
93	I	96.1	Very high	96.1	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.1	-171.5	-56.3	163.9	0	0	0	107.9	K78 L79 H91 V112 Y124 L126 V133	K78-I93 WeakPolarHBondContact CA-O 3.5Å; L79-I93 HydrophobicContact CB-CB 4.23Å; L79-I93 HydrophobicContact CD2-CD1 4.2Å; L79-I93 PolarHBondContact N-O 2.87Å; L79-I93 PolarHBondContact O-N 2.93Å; H91-I93 HydrophobicContact CB-CG1 4.32Å; I93-V112 HydrophobicContact CD1-CG2 3.95Å; I93-Y124 HydrophobicContact CD1-CD1 4.5Å; I93-Y124 HydrophobicContact CD1-CG 4.35Å; I93-Y124 HydrophobicContact CG2-CD1 3.56Å; I93-Y124 HydrophobicContact CG2-CE1 3.47Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.47Å; I93-Y124 HydrophobicContact CG2-CG 4.32Å; I93-L126 HydrophobicContact CD1-CD2 4.17Å; I93-V133 HydrophobicContact CD1-CB 4.37Å; I93-V133 HydrophobicContact CD1-CG1 3.59Å; I93-V133 HydrophobicContact CG1-CB 4.09Å; I93-V133 HydrophobicContact CG1-CG1 3.78Å
94	P	95.6	Very high	96.1	Very high	106 Å²	106	59.1 Å²	59.1	69%	0.688	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	129.4	172.5	30.2	-32.3	0	0	0	109.9
95	L	95.1	Very high	96.2	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.126	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-89.9	151.4	177.7	-56.9	-178.7	0	0	0	110.3	G77 L79 S97 V100 C114 Y124	G77-L95 WeakPolarHBondContact O-CB 3.43Å; G77-L95 PolarHBondContact O-N 3.12Å; L79-L95 HydrophobicContact CB-CD1 4.44Å; L79-L95 HydrophobicContact CB-CD2 3.96Å; L79-L95 HydrophobicContact CB-CG 4.36Å; L95-S97 WeakPolarHBondContact CB-O 3.45Å; L95-V100 HydrophobicContact CD1-CB 3.89Å; L95-V100 HydrophobicContact CD1-CG1 4.14Å; L95-V100 HydrophobicContact CD1-CG2 4.06Å; L95-C114 WeakPolarHBondContact CD2-SG 3.35Å; L95-Y124 HydrophobicContact CD2-CE2 4.26Å; L95-Y124 VanDerWaalsContact CD2-OH 3.22Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.08Å
96	R	90.4	Very high	96.2	Very high	197 Å²	197	53.1 Å²	53.1	74%	0.743	28%	0.276	S	S	*	.	S	Bend	trans	-72.6	-40.7	173.4	-68	-174.3	-177.7	162.1	10.8	111.9	E138	R96-E138 IonicContact CZ-OE1 2.77Å; R96-E138 IonicContact NE-OE1 3.28Å; R96-E138 IonicContact NH1-OE1 3.79Å; R96-E138 PolarHBondContact NH1-OE1 2.63Å; R96-E138 IonicContact NH1-OE2 3.97Å; R96-E138 PolarHBondContact NH1-OE2 3.35Å; R96-E138 IonicContact NH2-OE1 3.33Å; R96-E138 PolarHBondContact NH2-OE1 3.3Å
97	S	91.5	Very high	96.2	Very high	28 Å²	28	52.5 Å²	52.5	20%	0.196	27%	0.273	C	S	.	.			trans	-101.6	132	173.7	-176.9	0	0	0	0	109.9	L95 W99 D118	L95-S97 WeakPolarHBondContact CB-O 3.45Å; S97-W99 VanDerWaalsContact C-N 3.3Å; S97-W99 PolarHBondContact OG-N 2.97Å; S97-D118 WeakPolarHBondContact CB-OD2 3.39Å
98	S	91.4	Very high	96.1	Very high	52 Å²	52	52.4 Å²	52.4	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-73.7	-24.3	174.3	54.8	0	0	0	0	112.4	Q75 V100	Q75-S98 VanDerWaalsContact CA-O 3.24Å; Q75-S98 WeakPolarHBondContact CA-O 3.41Å; S98-V100 VanDerWaalsContact C-N 3.27Å; S98-V100 PolarHBondContact O-N 2.76Å
99	W	93.7	Very high	96	Very high	133 Å²	133	49.1 Å²	49.1	50%	0.504	26%	0.263	S	S	.	.			trans	-87.5	62.3	-171.6	-62.6	101.8	0	0	0	112.4	Q75 S97 G116 L117	Q75-W99 HydrophobicContact CG-CE3 4.39Å; Q75-W99 VanDerWaalsContact NE2-CE3 3.34Å; Q75-W99 VanDerWaalsContact NE2-CZ3 3.34Å; S97-W99 VanDerWaalsContact C-N 3.3Å; S97-W99 PolarHBondContact OG-N 2.97Å; W99-G116 WeakPolarHBondContact O-CA 3.23Å; W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.66Å; W99-L117 HydrophobicContact CB-CG 3.74Å; W99-L117 HydrophobicContact CD2-CD1 4.03Å; W99-L117 HydrophobicContact CE3-CD1 4.23Å; W99-L117 HydrophobicContact CG-CD1 3.8Å; W99-L117 HydrophobicContact CG-CG 4.42Å; W99-L117 PolarHBondContact O-N 2.67Å
100	V	96.6	Very high	95.9	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.4	175.9	69.8	0	0	0	0	111	A73 S74 L95 S98 T102 C114 G115	A73-V100 HydrophobicContact CB-CB 4.35Å; A73-V100 HydrophobicContact CB-CG1 3.69Å; A73-V100 HydrophobicContact CB-CG2 3.68Å; S74-V100 WeakPolarHBondContact O-CG1 3.32Å; L95-V100 HydrophobicContact CD1-CB 3.89Å; L95-V100 HydrophobicContact CD1-CG1 4.14Å; L95-V100 HydrophobicContact CD1-CG2 4.06Å; S98-V100 VanDerWaalsContact C-N 3.27Å; S98-V100 PolarHBondContact O-N 2.76Å; V100-T102 WeakPolarHBondContact CG2-O 3.49Å; V100-C114 HydrophobicContact CG2-CB 3.87Å; V100-G115 WeakPolarHBondContact CG2-O 3.3Å
101	M	98.1	Very high	96	Very high	47 Å²	47	44.6 Å²	44.6	23%	0.232	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-25.8	179	-65.9	179	67.1	0	0	112	Y59 G115 L117 Y145 L146	Y59-M101 HydrophobicContact CD1-CG 4.45Å; M101-G115 PolarHBondContact N-O 3.5Å; M101-L117 HydrophobicContact SD-CD2 3.92Å; M101-L117 HydrophobicContact SD-CG 4.46Å; M101-Y145 HydrophobicContact CE-CD2 3.66Å; M101-Y145 HydrophobicContact CE-CE2 3.72Å; M101-Y145 HydrophobicContact SD-CD2 3.61Å; M101-Y145 HydrophobicContact SD-CE2 4.28Å; M101-Y145 HydrophobicContact SD-CG 4.11Å; M101-L146 WeakPolarHBondContact CB-O 3.21Å
102	T	98.6	Very high	96.1	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.4	-178.9	-165.4	0	0	0	0	113.4	V100 C114 G115 L146 S147 C148 C149	V100-T102 WeakPolarHBondContact CG2-O 3.49Å; T102-C114 WeakPolarHBondContact O-CA 3.15Å; T102-C114 VanDerWaalsContact O-CB 3.3Å; T102-C114 WeakPolarHBondContact O-CB 3.44Å; T102-G115 PolarHBondContact N-O 3.2Å; T102-G115 PolarHBondContact O-N 2.92Å; T102-L146 HydrophobicContact CG2-CD2 3.7Å; T102-L146 HydrophobicContact CG2-CG 4.1Å; T102-S147 WeakPolarHBondContact CB-O 3.35Å; T102-C148 WeakPolarHBondContact OG1-CA 3.3Å; T102-C149 HydrophobicContact CG2-CB 4.35Å; T102-C149 PolarHBondContact OG1-N 3.24Å
103	C	98.7	Very high	96.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.6	161.1	60.7	0	0	0	0	111.6	V71 A73 L79 A113 C114 R150	V71-C103 HydrophobicContact CG1-CB 4.3Å; A73-C103 HydrophobicContact CB-CB 3.91Å; L79-C103 HydrophobicContact CD1-CB 3.57Å; C103-A113 CarbonylContact C-O 3.6Å; C103-A113 WeakPolarHBondContact CA-O 3.15Å; C103-A113 WeakPolarHBondContact CB-O 3.38Å; C103-C114 HydrophobicContact CB-CB 4.35Å; C103-R150 PolarHBondContact O-NH1 2.87Å
104	A	98.8	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.4	175.7	0	0	0	0	0	111	V112 A113 C149 F151	A104-V112 CarbonylContact O-C 3.55Å; A104-V112 WeakPolarHBondContact O-CA 3.33Å; A104-A113 HydrophobicContact CB-CB 4.48Å; A104-A113 PolarHBondContact N-O 3.33Å; A104-A113 PolarHBondContact O-N 2.83Å; A104-C149 WeakPolarHBondContact CB-O 3.46Å; A104-F151 HydrophobicContact CB-CD2 3.86Å; A104-F151 HydrophobicContact CB-CE2 4.01Å
105	Y	98.6	Very high	96.5	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	171.9	-145.7	-54.9	0	0	0	108.1	H62 A64 L69 V71 V81 V112 L126	H62-Y105 PolarHBondContact ND1-N 2.77Å; H62-Y105 VanDerWaalsContact ND1-N 3.12Å; A64-Y105 HydrophobicContact CB-CD1 3.98Å; A64-Y105 HydrophobicContact CB-CD2 3.87Å; A64-Y105 HydrophobicContact CB-CE1 4.09Å; A64-Y105 HydrophobicContact CB-CE2 3.92Å; A64-Y105 HydrophobicContact CB-CG 3.89Å; L69-Y105 HydrophobicContact CB-CE2 4.26Å; V71-Y105 HydrophobicContact CB-CD2 3.91Å; V71-Y105 HydrophobicContact CB-CE2 4.45Å; V71-Y105 HydrophobicContact CG1-CD2 3.92Å; V71-Y105 HydrophobicContact CG1-CG 4.46Å; V81-Y105 HydrophobicContact CG1-CE2 3.95Å; Y105-V112 HydrophobicContact CD1-CG1 4.22Å; Y105-V112 HydrophobicContact CD2-CG1 3.91Å; Y105-V112 HydrophobicContact CE1-CG1 4.29Å; Y105-V112 HydrophobicContact CE2-CG1 4.05Å; Y105-V112 HydrophobicContact CG-CG1 4.01Å; Y105-L126 HydrophobicContact CE1-CD1 3.96Å; Y105-L126 HydrophobicContact CE2-CD1 4.41Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.44Å
106	A	98.4	Very high	96.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	17%	0.169	C	C	.	.			trans	-67.7	141.8	176.9	0	0	0	0	0	111.3	S108 G109 Y111 F151	A106-S108 PolarHBondContact O-N 2.87Å; A106-G109 PolarHBondContact O-N 3.36Å; A106-Y111 HydrophobicContact CB-CD2 4.5Å; A106-Y111 WeakPolarHBondContact CB-O 3.35Å; A106-Y111 PolarHBondContact N-O 3.37Å; A106-F151 HydrophobicContact CB-CB 4.28Å; A106-F151 HydrophobicContact CB-CD1 4.1Å; A106-F151 HydrophobicContact CB-CD2 3.84Å; A106-F151 HydrophobicContact CB-CE1 4.34Å; A106-F151 HydrophobicContact CB-CE2 4.1Å; A106-F151 HydrophobicContact CB-CG 3.83Å; A106-F151 HydrophobicContact CB-CZ 4.33Å
107	P	97.9	Very high	96.9	Very high	54 Å²	54	28.3 Å²	28.3	35%	0.351	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.4	-179.1	-28.1	34.2	0	0	0	114.8	T65 G109	T65-P107 HydrophobicContact CG2-CB 4.16Å; T65-P107 PolarHBondContact OG1-O 3.32Å; P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.25Å
108	S	97	Very high	97.1	Very high	53 Å²	53	29.4 Å²	29.4	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.4	178	67.8	0	0	0	0	114.5	A106 N110 D154	A106-S108 PolarHBondContact O-N 2.87Å; S108-N110 VanDerWaalsContact C-N 3.27Å; S108-N110 WeakPolarHBondContact CB-ND2 3.34Å; S108-N110 VanDerWaalsContact OG-CB 3.28Å; S108-N110 WeakPolarHBondContact OG-CB 3.32Å; S108-N110 PolarHBondContact OG-N 2.91Å; S108-N110 PolarHBondContact OG-ND2 2.92Å; S108-D154 WeakPolarHBondContact CB-OD1 3.43Å; S108-D154 WeakPolarHBondContact CB-OD2 3.28Å; S108-D154 PolarHBondContact OG-OD1 3.33Å; S108-D154 PolarHBondContact OG-OD2 3Å; S108-D154 VanDerWaalsContact OG-OD2 3.11Å
109	G	96	Very high	97.4	Very high	25 Å²	25	29.2 Å²	29.2	26%	0.258	16%	0.155	S	C	.	.	S	Bend	trans	81.9	-3.3	-168.9	0	0	0	0	0	114.8	A106 P107	A106-G109 PolarHBondContact O-N 3.36Å; P107-G109 VanDerWaalsContact C-N 3.28Å; P107-G109 PolarHBondContact O-N 3.25Å
110	N	94.7	Very high	97.6	Very high	32 Å²	32	25 Å²	25	17%	0.171	14%	0.142	C	C	.	.	S	Bend	trans	-85	-31.3	-169.9	-63.9	-31.1	0	0	0	114	S108 L126 K127 D154	S108-N110 VanDerWaalsContact C-N 3.27Å; S108-N110 WeakPolarHBondContact CB-ND2 3.34Å; S108-N110 VanDerWaalsContact OG-CB 3.28Å; S108-N110 WeakPolarHBondContact OG-CB 3.32Å; S108-N110 PolarHBondContact OG-N 2.91Å; S108-N110 PolarHBondContact OG-ND2 2.92Å; N110-L126 WeakPolarHBondContact O-CB 3.3Å; N110-L126 PolarHBondContact O-N 2.8Å; N110-K127 VanDerWaalsContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CE 3.37Å; N110-K127 PolarHBondContact OD1-NZ 2.88Å; N110-D154 PolarHBondContact ND2-OD2 2.81Å
111	Y	97.4	Very high	97.7	Very high	54 Å²	54	25 Å²	25	21%	0.212	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.8	-172.2	-58.3	-82.8	0	0	0	112.4	A106 I123 Y124 C125 D154	A106-Y111 HydrophobicContact CB-CD2 4.5Å; A106-Y111 WeakPolarHBondContact CB-O 3.35Å; A106-Y111 PolarHBondContact N-O 3.37Å; Y111-I123 HydrophobicContact CD1-CG2 3.87Å; Y111-I123 HydrophobicContact CG-CG2 4.27Å; Y111-Y124 VanDerWaalsContact CA-O 3.25Å; Y111-Y124 WeakPolarHBondContact CA-O 3.34Å; Y111-C125 HydrophobicContact CD1-CB 3.98Å; Y111-C125 HydrophobicContact CE1-CB 3.71Å; Y111-D154 HydrophobicContact CD2-CB 4.13Å; Y111-D154 HydrophobicContact CE2-CB 3.82Å
112	V	98.5	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.3	161.8	-66.6	0	0	0	0	109	V71 L79 V81 I93 A104 Y105 Y124 L126	V71-V112 HydrophobicContact CB-CG1 4.1Å; V71-V112 HydrophobicContact CG1-CG1 4.32Å; V71-V112 HydrophobicContact CG2-CB 4.33Å; V71-V112 HydrophobicContact CG2-CG1 4.08Å; L79-V112 HydrophobicContact CD2-CB 4.19Å; L79-V112 HydrophobicContact CD2-CG2 3.6Å; V81-V112 HydrophobicContact CG2-CG1 4.23Å; I93-V112 HydrophobicContact CD1-CG2 3.95Å; A104-V112 CarbonylContact O-C 3.55Å; A104-V112 WeakPolarHBondContact O-CA 3.33Å; Y105-V112 HydrophobicContact CD1-CG1 4.22Å; Y105-V112 HydrophobicContact CD2-CG1 3.91Å; Y105-V112 HydrophobicContact CE1-CG1 4.29Å; Y105-V112 HydrophobicContact CE2-CG1 4.05Å; Y105-V112 HydrophobicContact CG-CG1 4.01Å; V112-Y124 HydrophobicContact CG2-CD2 4.39Å; V112-Y124 HydrophobicContact CG2-CG 4.47Å; V112-Y124 PolarHBondContact N-O 3.14Å; V112-Y124 PolarHBondContact O-N 2.7Å; V112-L126 HydrophobicContact CG1-CD1 3.92Å; V112-L126 HydrophobicContact CG1-CD2 4.41Å; V112-L126 HydrophobicContact CG1-CG 4.37Å; V112-L126 HydrophobicContact CG2-CD2 3.85Å; V112-L126 HydrophobicContact CG2-CG 4.42Å
113	A	98.6	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.2	174.1	0	0	0	0	0	110.5	C103 A104 S122 I123 F151 I157	C103-A113 CarbonylContact C-O 3.6Å; C103-A113 WeakPolarHBondContact CA-O 3.15Å; C103-A113 WeakPolarHBondContact CB-O 3.38Å; A104-A113 HydrophobicContact CB-CB 4.48Å; A104-A113 PolarHBondContact N-O 3.33Å; A104-A113 PolarHBondContact O-N 2.83Å; A113-S122 CarbonylContact C-O 3.54Å; A113-S122 WeakPolarHBondContact CA-O 3.22Å; A113-I123 HydrophobicContact CB-CG1 4.25Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.55Å; A113-I157 HydrophobicContact CB-CD1 3.64Å
114	C	98.4	Very high	97.6	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	165.7	167.7	72.2	0	0	0	0	111.6	L79 L95 V100 T102 C103 S122 Y124	L79-C114 HydrophobicContact CD1-CB 4.12Å; L79-C114 HydrophobicContact CD2-CB 4.2Å; L95-C114 WeakPolarHBondContact CD2-SG 3.35Å; V100-C114 HydrophobicContact CG2-CB 3.87Å; T102-C114 WeakPolarHBondContact O-CA 3.15Å; T102-C114 VanDerWaalsContact O-CB 3.3Å; T102-C114 WeakPolarHBondContact O-CB 3.44Å; C103-C114 HydrophobicContact CB-CB 4.35Å; C114-S122 PolarHBondContact N-O 3.08Å; C114-S122 PolarHBondContact O-N 2.85Å; C114-Y124 VanDerWaalsContact SG-CE2 3.55Å
115	G	98	Very high	97.3	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	174.5	170.2	0	0	0	0	0	111.6	V100 M101 T102 I120	V100-G115 WeakPolarHBondContact CG2-O 3.3Å; M101-G115 PolarHBondContact N-O 3.5Å; T102-G115 PolarHBondContact N-O 3.2Å; T102-G115 PolarHBondContact O-N 2.92Å; G115-I120 WeakPolarHBondContact CA-O 3.45Å
116	G	97.4	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-124.2	176.1	0	0	0	0	0	112.2	W99 D118 N119 Y145 L146	W99-G116 WeakPolarHBondContact O-CA 3.23Å; G116-D118 PolarHBondContact N-OD1 3.18Å; G116-D118 VanDerWaalsContact N-OD1 3.12Å; G116-D118 PolarHBondContact O-N 3.31Å; G116-D118 VanDerWaalsContact O-N 3.11Å; G116-N119 PolarHBondContact O-N 3.28Å; G116-N119 VanDerWaalsContact O-N 3.12Å; G116-Y145 CarbonylContact O-C 3.6Å; G116-Y145 WeakPolarHBondContact O-CA 3.5Å; G116-L146 PolarHBondContact O-N 3.11Å
117	L	97.1	Very high	96.3	Very high	90 Å²	90	31.7 Å²	31.7	47%	0.471	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.2	-175.7	-60.3	-174.9	0	0	0	114.6	W99 M101 N119 Y145	W99-L117 HydrophobicContact CB-CB 3.8Å; W99-L117 HydrophobicContact CB-CD1 3.66Å; W99-L117 HydrophobicContact CB-CG 3.74Å; W99-L117 HydrophobicContact CD2-CD1 4.03Å; W99-L117 HydrophobicContact CE3-CD1 4.23Å; W99-L117 HydrophobicContact CG-CD1 3.8Å; W99-L117 HydrophobicContact CG-CG 4.42Å; W99-L117 PolarHBondContact O-N 2.67Å; M101-L117 HydrophobicContact SD-CD2 3.92Å; M101-L117 HydrophobicContact SD-CG 4.46Å; L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-OD1 3.27Å; L117-Y145 HydrophobicContact CD2-CD1 4.41Å; L117-Y145 HydrophobicContact CD2-CG 4.1Å
118	D	96.1	Very high	94.8	Very high	52 Å²	52	31.4 Å²	31.4	28%	0.278	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.8	172	56	-1.7	0	0	0	113.1	S97 G116 I120	S97-D118 WeakPolarHBondContact CB-OD2 3.39Å; G116-D118 PolarHBondContact N-OD1 3.18Å; G116-D118 VanDerWaalsContact N-OD1 3.12Å; G116-D118 PolarHBondContact O-N 3.31Å; G116-D118 VanDerWaalsContact O-N 3.11Å; D118-I120 WeakPolarHBondContact O-CG1 3.34Å; D118-I120 PolarHBondContact O-N 3.07Å; D118-I120 VanDerWaalsContact O-N 3.11Å
119	N	97.4	Very high	93.2	Very high	48 Å²	48	41.3 Å²	41.3	26%	0.257	20%	0.2	S	C	.	.			trans	60.9	14.7	179.5	-52.1	-5.7	0	0	0	113.8	G116 L117 T143 G144 Y145	G116-N119 PolarHBondContact O-N 3.28Å; G116-N119 VanDerWaalsContact O-N 3.12Å; L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-OD1 3.27Å; N119-T143 PolarHBondContact ND2-O 3.45Å; N119-G144 VanDerWaalsContact CB-O 3.22Å; N119-G144 WeakPolarHBondContact CB-O 3.34Å; N119-G144 PolarHBondContact OD1-O 3.02Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.45Å; N119-Y145 PolarHBondContact OD1-N 2.97Å
120	I	97.4	Very high	91.6	Very high	45 Å²	45	47 Å²	47	23%	0.231	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	-174.9	-66.6	165.7	0	0	0	109.1	G115 D118 E138 P140	G115-I120 WeakPolarHBondContact CA-O 3.45Å; D118-I120 WeakPolarHBondContact O-CG1 3.34Å; D118-I120 PolarHBondContact O-N 3.07Å; D118-I120 VanDerWaalsContact O-N 3.11Å; I120-E138 HydrophobicContact CG2-CB 3.87Å; I120-E138 HydrophobicContact CG2-CG 4.29Å; I120-P140 HydrophobicContact CG1-CB 4.49Å
121	C	98.2	Very high	90.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.1	164.3	-166.1	0	0	0	0	109.4	L139 L146 T159	C121-L139 HydrophobicContact CB-CB 4.12Å; C121-L139 HydrophobicContact CB-CD1 4.22Å; C121-L139 PolarHBondContact N-O 2.78Å; C121-L139 WeakPolarHBondContact O-CB 3.39Å; C121-L139 PolarHBondContact O-N 3.41Å; C121-L146 HydrophobicContact CB-CD2 3.62Å; C121-T159 HydrophobicContact CB-CG2 4.01Å
122	S	98.1	Very high	89.2	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.063	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.2	177.8	-63.3	0	0	0	0	110.5	A113 C114	A113-S122 CarbonylContact C-O 3.54Å; A113-S122 WeakPolarHBondContact CA-O 3.22Å; C114-S122 PolarHBondContact N-O 3.08Å; C114-S122 PolarHBondContact O-N 2.85Å
123	I	98	Very high	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	-179.5	-61.6	169.3	0	0	0	109.4	Y111 A113 S136 R137 L139 F151 I157 I171	Y111-I123 HydrophobicContact CD1-CG2 3.87Å; Y111-I123 HydrophobicContact CG-CG2 4.27Å; A113-I123 HydrophobicContact CB-CG1 4.25Å; I123-S136 WeakPolarHBondContact O-CA 3.49Å; I123-S136 WeakPolarHBondContact O-CB 2.98Å; I123-S136 PolarHBondContact O-N 3.46Å; I123-R137 HydrophobicContact CB-CB 4.33Å; I123-R137 HydrophobicContact CD1-CB 4.47Å; I123-R137 PolarHBondContact N-O 2.61Å; I123-R137 PolarHBondContact O-N 3.46Å; I123-L139 HydrophobicContact CD1-CD1 3.8Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; I123-F151 HydrophobicContact CD1-CE1 4.47Å; I123-F151 HydrophobicContact CG1-CZ 4.44Å; I123-F151 HydrophobicContact CG2-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CZ 4.27Å; I123-I157 HydrophobicContact CD1-CG2 4.38Å; I123-I171 HydrophobicContact CD1-CB 4.08Å; I123-I171 HydrophobicContact CD1-CD1 3.75Å; I123-I171 HydrophobicContact CD1-CG1 3.53Å; I123-I171 HydrophobicContact CD1-CG2 3.54Å
124	Y	96.8	Very high	87.9	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.8	-176.7	-57.5	-97.2	0	0	0	110	L79 I93 L95 Y111 V112 C114 V133 V135	L79-Y124 HydrophobicContact CD2-CD2 4.18Å; L79-Y124 HydrophobicContact CD2-CE2 4.37Å; I93-Y124 HydrophobicContact CD1-CD1 4.5Å; I93-Y124 HydrophobicContact CD1-CG 4.35Å; I93-Y124 HydrophobicContact CG2-CD1 3.56Å; I93-Y124 HydrophobicContact CG2-CE1 3.47Å; I93-Y124 VanDerWaalsContact CG2-CE1 3.47Å; I93-Y124 HydrophobicContact CG2-CG 4.32Å; L95-Y124 HydrophobicContact CD2-CE2 4.26Å; L95-Y124 VanDerWaalsContact CD2-OH 3.22Å; L95-Y124 WeakPolarHBondContact CD2-OH 3.08Å; Y111-Y124 VanDerWaalsContact CA-O 3.25Å; Y111-Y124 WeakPolarHBondContact CA-O 3.34Å; V112-Y124 HydrophobicContact CG2-CD2 4.39Å; V112-Y124 HydrophobicContact CG2-CG 4.47Å; V112-Y124 PolarHBondContact N-O 3.14Å; V112-Y124 PolarHBondContact O-N 2.7Å; C114-Y124 VanDerWaalsContact SG-CE2 3.55Å; Y124-V133 HydrophobicContact CD1-CG1 4.37Å; Y124-V135 HydrophobicContact CD1-CG2 4.07Å; Y124-V135 HydrophobicContact CE1-CB 4.36Å; Y124-V135 HydrophobicContact CE1-CG2 3.43Å; Y124-V135 VanDerWaalsContact CE1-CG2 3.43Å
125	C	94.4	Very high	87.4	Confident	25 Å²	25	61.9 Å²	61.9	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.7	173.3	-175	0	0	0	0	109.9	Y111 K127 V133	Y111-C125 HydrophobicContact CD1-CB 3.98Å; Y111-C125 HydrophobicContact CE1-CB 3.71Å; C125-K127 PolarHBondContact SG-O 3.26Å; C125-K127 VanDerWaalsContact SG-O 3.38Å; C125-V133 WeakPolarHBondContact O-CG1 3.35Å
126	L	91.9	Very high	86.9	Confident	15 Å²	15	63.6 Å²	63.6	8%	0.079	32%	0.319	C	S	.	.	S	Bend	trans	-78.1	-28.5	177.4	-59.9	-175.1	0	0	0	112.1	V81 I93 Y105 N110 V112 T128 V133	V81-L126 HydrophobicContact CG2-CD1 4.27Å; V81-L126 HydrophobicContact CG2-CD2 4.14Å; I93-L126 HydrophobicContact CD1-CD2 4.17Å; Y105-L126 HydrophobicContact CE1-CD1 3.96Å; Y105-L126 HydrophobicContact CE2-CD1 4.41Å; Y105-L126 WeakPolarHBondContact OH-CD1 3.44Å; N110-L126 WeakPolarHBondContact O-CB 3.3Å; N110-L126 PolarHBondContact O-N 2.8Å; V112-L126 HydrophobicContact CG1-CD1 3.92Å; V112-L126 HydrophobicContact CG1-CD2 4.41Å; V112-L126 HydrophobicContact CG1-CG 4.37Å; V112-L126 HydrophobicContact CG2-CD2 3.85Å; V112-L126 HydrophobicContact CG2-CG 4.42Å; L126-T128 PolarHBondContact O-N 3.31Å; L126-V133 HydrophobicContact CD2-CG1 4.36Å; L126-V133 HydrophobicContact CD2-CG2 4.4Å
127	K	82.1	Confident	86.8	Confident	149 Å²	149	68.4 Å²	68.4	65%	0.648	34%	0.337	S	S	*	.			trans	-86.1	83.1	176.7	-70.4	-174.8	178.4	163.8	0	110.8	N110 C125	N110-K127 VanDerWaalsContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CD 3.26Å; N110-K127 WeakPolarHBondContact OD1-CE 3.37Å; N110-K127 PolarHBondContact OD1-NZ 2.88Å; C125-K127 PolarHBondContact SG-O 3.26Å; C125-K127 VanDerWaalsContact SG-O 3.38Å
128	T	68.3	Low	86.7	Confident	48 Å²	48	66.9 Å²	66.9	29%	0.294	33%	0.327	S	S	.	.			trans	-109.4	134.4	172.6	55.9	0	0	0	0	111.3	L126 E130 N132	L126-T128 PolarHBondContact O-N 3.31Å; T128-E130 PolarHBondContact O-N 3.21Å; T128-N132 PolarHBondContact OG1-O 2.93Å
129	R	62.1	Low	86.8	Confident	262 Å²	262	64.4 Å²	64.4	99%	0.989	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.5	174.8	-70.7	-176.1	178.2	-177.5	-0	112.6
130	E	62	Low	86.6	Confident	143 Å²	143	66 Å²	66	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4.1	-172.4	-62.1	180	-179.1	0	0	113.4	T128 N132 R134	T128-E130 PolarHBondContact O-N 3.21Å; E130-N132 PolarHBondContact O-N 3.45Å; E130-R134 IonicContact OE2-NH2 3.28Å
131	G	66.4	Low	86.2	Confident	57 Å²	57	66.1 Å²	66.1	59%	0.588	34%	0.339	S	S	*	.	S	Bend	trans	73.7	-22.4	177.5	0	0	0	0	0	115.7
132	N	76.9	Confident	86.2	Confident	110 Å²	110	66.7 Å²	66.7	59%	0.588	34%	0.342	S	S	*	.			trans	-91.1	113.8	176.2	-74.9	-23.6	0	0	0	111.4	T128 E130 R134	T128-N132 PolarHBondContact OG1-O 2.93Å; E130-N132 PolarHBondContact O-N 3.45Å; N132-R134 PolarHBondContact O-N 2.94Å
133	V	85.4	Confident	86.2	Confident	28 Å²	28	72 Å²	72	17%	0.17	37%	0.374	C	S	.	.			trans	-67.6	123	172.1	177.6	0	0	0	0	109.4	H91 I93 Y124 C125 L126	H91-V133 WeakPolarHBondContact ND1-CG2 3.26Å; I93-V133 HydrophobicContact CD1-CB 4.37Å; I93-V133 HydrophobicContact CD1-CG1 3.59Å; I93-V133 HydrophobicContact CG1-CB 4.09Å; I93-V133 HydrophobicContact CG1-CG1 3.78Å; Y124-V133 HydrophobicContact CD1-CG1 4.37Å; C125-V133 WeakPolarHBondContact O-CG1 3.35Å; L126-V133 HydrophobicContact CD2-CG1 4.36Å; L126-V133 HydrophobicContact CD2-CG2 4.4Å
134	R	82.8	Confident	86.2	Confident	159 Å²	159	72.6 Å²	72.6	60%	0.6	38%	0.38	S	S	*	.			trans	-120.2	159.8	177.2	-65.9	-175.5	-178.3	160.7	7.1	110.4	E130 N132 S136	E130-R134 IonicContact OE2-NH2 3.28Å; N132-R134 PolarHBondContact O-N 2.94Å; R134-S136 PolarHBondContact O-N 2.79Å
135	V	87.9	Confident	86.2	Confident	49 Å²	49	74.7 Å²	74.7	30%	0.297	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	120.5	169.3	-176.5	0	0	0	0	108.1	Y124 R137 E138	Y124-V135 HydrophobicContact CD1-CG2 4.07Å; Y124-V135 HydrophobicContact CE1-CB 4.36Å; Y124-V135 HydrophobicContact CE1-CG2 3.43Å; Y124-V135 VanDerWaalsContact CE1-CG2 3.43Å; V135-R137 WeakPolarHBondContact CG1-O 3.36Å; V135-E138 HydrophobicContact CG1-CG 3.67Å
136	S	88.3	Confident	86.4	Confident	39 Å²	39	73.5 Å²	73.5	27%	0.273	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-45.5	174.6	-173.6	0	0	0	0	110.6	I123 R134	I123-S136 WeakPolarHBondContact O-CA 3.49Å; I123-S136 WeakPolarHBondContact O-CB 2.98Å; I123-S136 PolarHBondContact O-N 3.46Å; R134-S136 PolarHBondContact O-N 2.79Å
137	R	94.6	Very high	86.7	Confident	100 Å²	100	73.4 Å²	73.4	38%	0.377	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.2	-176.6	-65	-64.8	-172	-99.8	4.9	110.9	I123 V135 I171 E172 S174	I123-R137 HydrophobicContact CB-CB 4.33Å; I123-R137 HydrophobicContact CD1-CB 4.47Å; I123-R137 PolarHBondContact N-O 2.61Å; I123-R137 PolarHBondContact O-N 3.46Å; V135-R137 WeakPolarHBondContact CG1-O 3.36Å; R137-I171 HydrophobicContact CB-CG2 4.46Å; R137-I171 HydrophobicContact CG-CG2 4.06Å; R137-I171 WeakPolarHBondContact CG-O 3.14Å; R137-E172 PolarHBondContact NE-O 3.04Å; R137-S174 WeakPolarHBondContact CD-OG 3.47Å
138	E	96.4	Very high	87.5	Confident	58 Å²	58	66.8 Å²	66.8	27%	0.271	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.5	168.6	-68.3	178.2	-176.2	0	0	106.7	R96 I120 V135 P140	R96-E138 IonicContact CZ-OE1 2.77Å; R96-E138 IonicContact NE-OE1 3.28Å; R96-E138 IonicContact NH1-OE1 3.79Å; R96-E138 PolarHBondContact NH1-OE1 2.63Å; R96-E138 IonicContact NH1-OE2 3.97Å; R96-E138 PolarHBondContact NH1-OE2 3.35Å; R96-E138 IonicContact NH2-OE1 3.33Å; R96-E138 PolarHBondContact NH2-OE1 3.3Å; I120-E138 HydrophobicContact CG2-CB 3.87Å; I120-E138 HydrophobicContact CG2-CG 4.29Å; V135-E138 HydrophobicContact CG1-CG 3.67Å; E138-P140 VanDerWaalsContact C-CD 3.44Å; E138-P140 WeakPolarHBondContact O-CD 3.17Å
139	L	97.4	Very high	89	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	85.9	-178.1	-54.7	179.7	0	0	0	109	C121 I123 I157 W169	C121-L139 HydrophobicContact CB-CB 4.12Å; C121-L139 HydrophobicContact CB-CD1 4.22Å; C121-L139 PolarHBondContact N-O 2.78Å; C121-L139 WeakPolarHBondContact O-CB 3.39Å; C121-L139 PolarHBondContact O-N 3.41Å; I123-L139 HydrophobicContact CD1-CD1 3.8Å; I123-L139 HydrophobicContact CD1-CG 4.24Å; L139-I157 HydrophobicContact CD1-CG2 3.56Å; L139-W169 HydrophobicContact CB-CD2 4.09Å; L139-W169 HydrophobicContact CB-CE3 3.83Å; L139-W169 HydrophobicContact CB-CH2 4.46Å; L139-W169 HydrophobicContact CB-CZ3 4.02Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 4.06Å; L139-W169 HydrophobicContact CD1-CE3 4.35Å; L139-W169 HydrophobicContact CD1-CG 3.82Å; L139-W169 HydrophobicContact CD2-CE3 4.24Å; L139-W169 HydrophobicContact CG-CE3 4.36Å
140	P	93.9	Very high	90.7	Very high	82 Å²	82	54.9 Å²	54.9	53%	0.532	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.3	173.7	33.6	-34	0	0	0	110.2	I120 E138	I120-P140 HydrophobicContact CG1-CB 4.49Å; E138-P140 VanDerWaalsContact C-CD 3.44Å; E138-P140 WeakPolarHBondContact O-CD 3.17Å
141	G	89.3	Confident	92.5	Very high	46 Å²	46	48.4 Å²	48.4	47%	0.474	27%	0.273	S	S	.	.			trans	165.6	-21.1	168.7	0	0	0	0	0	114.6
142	H	97.2	Very high	94	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.065	25%	0.249	C	C	.	.			trans	-67.3	143.3	166.5	-79	-58.3	0	0	0	111.4	T159 S161 D163 T165	H142-T159 PolarHBondContact NE2-OG1 2.85Å; H142-S161 VanDerWaalsContact CE1-CB 3.43Å; H142-S161 WeakPolarHBondContact CE1-CB 3.38Å; H142-S161 VanDerWaalsContact CG-CB 3.5Å; H142-S161 WeakPolarHBondContact ND1-CB 3.2Å; H142-S161 PolarHBondContact ND1-OG 2.99Å; H142-D163 VanDerWaalsContact CA-OD2 3.25Å; H142-D163 WeakPolarHBondContact CA-OD2 3.22Å; H142-D163 VanDerWaalsContact CB-OD2 3.28Å; H142-D163 WeakPolarHBondContact CB-OD2 3.41Å; H142-D163 IonicContact CE1-OD2 3.84Å; H142-D163 IonicContact CG-OD2 3.1Å; H142-D163 IonicContact ND1-OD1 2.71Å; H142-D163 PolarHBondContact ND1-OD1 2.88Å; H142-D163 IonicContact ND1-OD2 3.48Å; H142-D163 PolarHBondContact ND1-OD2 2.51Å; H142-T165 PolarHBondContact CE1-OG1 2.86Å
143	T	97.7	Very high	95	Very high	120 Å²	120	44.8 Å²	44.8	74%	0.736	24%	0.239	S	C	*	.	S	Bend	trans	-98.9	-4.1	176.8	58.5	0	0	0	0	112.4	N119 D163	N119-T143 PolarHBondContact ND2-O 3.45Å; T143-D163 PolarHBondContact N-OD2 3.05Å; T143-D163 VanDerWaalsContact OG1-CB 3.23Å; T143-D163 WeakPolarHBondContact OG1-CB 3.23Å
144	G	97.6	Very high	95.5	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	24%	0.241	C	C	.	.	S	Bend	trans	-126.7	177.2	174.8	0	0	0	0	0	112	N119 S161	N119-G144 VanDerWaalsContact CB-O 3.22Å; N119-G144 WeakPolarHBondContact CB-O 3.34Å; N119-G144 PolarHBondContact OD1-O 3.02Å; G144-S161 PolarHBondContact O-OG 2.95Å
145	Y	97.9	Very high	96.2	Very high	50 Å²	50	41.6 Å²	41.6	20%	0.196	23%	0.233	C	C	.	.			trans	-66.3	147.6	-177.3	60.2	-94.2	0	0	0	111.8	M101 G116 L117 N119 S147 S161 G162 D186	M101-Y145 HydrophobicContact CE-CD2 3.66Å; M101-Y145 HydrophobicContact CE-CE2 3.72Å; M101-Y145 HydrophobicContact SD-CD2 3.61Å; M101-Y145 HydrophobicContact SD-CE2 4.28Å; M101-Y145 HydrophobicContact SD-CG 4.11Å; G116-Y145 CarbonylContact O-C 3.6Å; G116-Y145 WeakPolarHBondContact O-CA 3.5Å; L117-Y145 HydrophobicContact CD2-CD1 4.41Å; L117-Y145 HydrophobicContact CD2-CG 4.1Å; N119-Y145 WeakPolarHBondContact OD1-CA 3.45Å; N119-Y145 PolarHBondContact OD1-N 2.97Å; Y145-S147 PolarHBondContact O-N 3.06Å; Y145-S161 CarbonylContact O-C 3.6Å; Y145-S161 VanDerWaalsContact O-CA 3.25Å; Y145-S161 WeakPolarHBondContact O-CA 3.45Å; Y145-S161 PolarHBondContact O-OG 2.95Å; Y145-G162 PolarHBondContact O-N 3.36Å; Y145-D186 WeakPolarHBondContact CE1-OD2 3.49Å; Y145-D186 VanDerWaalsContact OH-CB 3.32Å; Y145-D186 WeakPolarHBondContact OH-CB 3.35Å; Y145-D186 PolarHBondContact OH-OD2 3.14Å
146	L	98.5	Very high	96.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.3	175.4	-157.2	75.2	0	0	0	110.3	M101 T102 G116 C121 T159	M101-L146 WeakPolarHBondContact CB-O 3.21Å; T102-L146 HydrophobicContact CG2-CD2 3.7Å; T102-L146 HydrophobicContact CG2-CG 4.1Å; G116-L146 PolarHBondContact O-N 3.11Å; C121-L146 HydrophobicContact CB-CD2 3.62Å; L146-T159 HydrophobicContact CD1-CG2 3.83Å; L146-T159 HydrophobicContact CD2-CG2 4.44Å
147	S	98.4	Very high	97.2	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-39.1	-177.3	61.3	0	0	0	0	113.2	T102 Y145 S160 V187 M188	T102-S147 WeakPolarHBondContact CB-O 3.35Å; Y145-S147 PolarHBondContact O-N 3.06Å; S147-S160 PolarHBondContact N-O 3.28Å; S147-S160 VanDerWaalsContact OG-C 3.3Å; S147-S160 WeakPolarHBondContact OG-CB 3.47Å; S147-S160 PolarHBondContact OG-O 3.11Å; S147-S160 VanDerWaalsContact OG-O 3.07Å; S147-S160 PolarHBondContact OG-OG 3.4Å; S147-V187 WeakPolarHBondContact CB-O 3.36Å; S147-V187 PolarHBondContact OG-O 3.46Å; S147-M188 WeakPolarHBondContact CB-O 3.25Å
148	C	98.8	Very high	97.4	Very high	11 Å²	11	35.7 Å²	35.7	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154	177.9	-162.9	0	0	0	0	111.9	T102 T159 S160 L190	T102-C148 WeakPolarHBondContact OG1-CA 3.3Å; C148-T159 WeakPolarHBondContact O-CA 3.13Å; C148-S160 WeakPolarHBondContact CB-OG 3.39Å; C148-S160 PolarHBondContact N-OG 2.6Å; C148-S160 PolarHBondContact O-N 2.88Å; C148-L190 HydrophobicContact CB-CD2 4.35Å; C148-L190 HydrophobicContact CB-CG 4.13Å
149	C	98.8	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.1	167.5	67.3	0	0	0	0	112.1	T102 A104 I157 I158 T159	T102-C149 HydrophobicContact CG2-CB 4.35Å; T102-C149 PolarHBondContact OG1-N 3.24Å; A104-C149 WeakPolarHBondContact CB-O 3.46Å; C149-I157 HydrophobicContact CB-CD1 3.98Å; C149-I157 HydrophobicContact CB-CG1 4.33Å; C149-I158 CarbonylContact C-O 3.59Å; C149-I158 WeakPolarHBondContact CA-O 3.43Å; C149-T159 HydrophobicContact CB-CG2 3.96Å
150	R	98.8	Very high	97.6	Very high	59 Å²	59	32.9 Å²	32.9	22%	0.223	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	132.4	173.4	-68.2	-65.7	179.1	-99.8	4.2	111	C103 I157 I158 L190 L192	C103-R150 PolarHBondContact O-NH1 2.87Å; R150-I157 WeakPolarHBondContact O-CG1 3.4Å; R150-I158 PolarHBondContact N-O 2.81Å; R150-I158 PolarHBondContact O-N 2.89Å; R150-L190 HydrophobicContact CB-CD1 3.78Å; R150-L190 HydrophobicContact CG-CD1 3.55Å; R150-L192 HydrophobicContact CB-CD1 3.61Å; R150-L192 HydrophobicContact CB-CG 3.98Å
151	F	98.8	Very high	97.8	Very high	8 Å²	8	29 Å²	29	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.3	172.8	-70.7	-85.6	0	0	0	110.3	A104 A106 A113 I123 D153 I157 I171 L192	A104-F151 HydrophobicContact CB-CD2 3.86Å; A104-F151 HydrophobicContact CB-CE2 4.01Å; A106-F151 HydrophobicContact CB-CB 4.28Å; A106-F151 HydrophobicContact CB-CD1 4.1Å; A106-F151 HydrophobicContact CB-CD2 3.84Å; A106-F151 HydrophobicContact CB-CE1 4.34Å; A106-F151 HydrophobicContact CB-CE2 4.1Å; A106-F151 HydrophobicContact CB-CG 3.83Å; A106-F151 HydrophobicContact CB-CZ 4.33Å; A113-F151 HydrophobicContact CB-CE2 3.55Å; A113-F151 HydrophobicContact CB-CZ 3.55Å; I123-F151 HydrophobicContact CD1-CE1 4.47Å; I123-F151 HydrophobicContact CG1-CZ 4.44Å; I123-F151 HydrophobicContact CG2-CE1 4.42Å; I123-F151 HydrophobicContact CG2-CZ 4.27Å; F151-D153 WeakPolarHBondContact CD1-O 3.14Å; F151-I157 HydrophobicContact CD1-CB 4.1Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.26Å; F151-I157 HydrophobicContact CD2-CD1 4.27Å; F151-I157 HydrophobicContact CE1-CB 4.43Å; F151-I157 HydrophobicContact CE1-CD1 3.99Å; F151-I157 HydrophobicContact CE2-CD1 4.12Å; F151-I157 HydrophobicContact CG-CD1 4.29Å; F151-I157 HydrophobicContact CG-CG1 4.38Å; F151-I157 HydrophobicContact CZ-CD1 3.99Å; F151-I171 HydrophobicContact CD1-CD1 3.87Å; F151-I171 HydrophobicContact CE1-CD1 3.67Å; F151-L192 VanDerWaalsContact O-CD1 3.23Å; F151-L192 WeakPolarHBondContact O-CD1 3.33Å
152	I	98.3	Very high	98.3	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.097	15%	0.147	C	C	.	.	S	Bend	trans	-83.5	-48	162.8	-62.5	177.4	0	0	0	108.1	Q156 I158 L168 L192 L196 I213	I152-Q156 HydrophobicContact CB-CB 4.03Å; I152-Q156 HydrophobicContact CD1-CB 4.28Å; I152-Q156 PolarHBondContact N-O 3.21Å; I152-I158 HydrophobicContact CD1-CD1 4.04Å; I152-I158 HydrophobicContact CD1-CG1 3.99Å; I152-I158 HydrophobicContact CG1-CD1 4.43Å; I152-I158 HydrophobicContact CG1-CG1 4.23Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L192 HydrophobicContact CG1-CD1 4.33Å; I152-L192 HydrophobicContact CG1-CD2 4.22Å; I152-L196 HydrophobicContact CG2-CB 4.3Å; I152-L196 HydrophobicContact CG2-CD1 4.32Å; I152-I213 HydrophobicContact CD1-CD1 4.06Å; I152-I213 HydrophobicContact CD1-CG2 4.21Å
153	D	97.8	Very high	98.3	Very high	71 Å²	71	28 Å²	28	38%	0.38	15%	0.151	S	C	.	.	S	Bend	trans	-151.4	-163.8	175.7	60.2	35.1	0	0	0	110	F151 N155 Q156	F151-D153 WeakPolarHBondContact CD1-O 3.14Å; D153-N155 PolarHBondContact O-N 3.16Å; D153-N155 WeakPolarHBondContact OD1-CA 3.18Å; D153-N155 WeakPolarHBondContact OD1-CB 3.25Å; D153-N155 PolarHBondContact OD1-N 2.96Å; D153-Q156 PolarHBondContact N-O 3.3Å; D153-Q156 PolarHBondContact OD1-N 3.39Å
154	D	97.3	Very high	98.4	Very high	36 Å²	36	24.5 Å²	24.5	19%	0.193	13%	0.13	C	C	.	.	S	Bend	trans	-73.1	-12.7	-179.8	-80.6	2.2	0	0	0	113.9	S108 N110 Y111 I171	S108-D154 WeakPolarHBondContact CB-OD1 3.43Å; S108-D154 WeakPolarHBondContact CB-OD2 3.28Å; S108-D154 PolarHBondContact OG-OD1 3.33Å; S108-D154 PolarHBondContact OG-OD2 3Å; S108-D154 VanDerWaalsContact OG-OD2 3.11Å; N110-D154 PolarHBondContact ND2-OD2 2.81Å; Y111-D154 HydrophobicContact CD2-CB 4.13Å; Y111-D154 HydrophobicContact CE2-CB 3.82Å; D154-I171 WeakPolarHBondContact O-CD1 3.22Å
155	N	97.5	Very high	98.4	Very high	84 Å²	84	25 Å²	25	45%	0.449	13%	0.13	S	C	.	.	S	Bend	trans	-113	-17.8	-175.8	-69.7	17.2	0	0	0	112.7	D153 I171	D153-N155 PolarHBondContact O-N 3.16Å; D153-N155 WeakPolarHBondContact OD1-CA 3.18Å; D153-N155 WeakPolarHBondContact OD1-CB 3.25Å; D153-N155 PolarHBondContact OD1-N 2.96Å; N155-I171 WeakPolarHBondContact O-CB 3.28Å; N155-I171 WeakPolarHBondContact O-CG1 3.25Å; N155-I171 PolarHBondContact O-N 2.96Å
156	Q	98.3	Very high	98.5	Very high	65 Å²	65	22.6 Å²	22.6	30%	0.304	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.1	-177.1	-68.3	-171.5	-18.5	0	0	112.9	I152 D153 L168 W169	I152-Q156 HydrophobicContact CB-CB 4.03Å; I152-Q156 HydrophobicContact CD1-CB 4.28Å; I152-Q156 PolarHBondContact N-O 3.21Å; D153-Q156 PolarHBondContact N-O 3.3Å; D153-Q156 PolarHBondContact OD1-N 3.39Å; Q156-L168 HydrophobicContact CB-CD1 4.26Å; Q156-W169 WeakPolarHBondContact CA-O 3.21Å
157	I	98.8	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	174.7	-169.8	170.5	0	0	0	110.1	A113 I123 L139 C149 R150 F151 W169 I171	A113-I157 HydrophobicContact CB-CD1 3.64Å; I123-I157 HydrophobicContact CD1-CG2 4.38Å; L139-I157 HydrophobicContact CD1-CG2 3.56Å; C149-I157 HydrophobicContact CB-CD1 3.98Å; C149-I157 HydrophobicContact CB-CG1 4.33Å; R150-I157 WeakPolarHBondContact O-CG1 3.4Å; F151-I157 HydrophobicContact CD1-CB 4.1Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-I157 HydrophobicContact CD1-CG1 4.26Å; F151-I157 HydrophobicContact CD2-CD1 4.27Å; F151-I157 HydrophobicContact CE1-CB 4.43Å; F151-I157 HydrophobicContact CE1-CD1 3.99Å; F151-I157 HydrophobicContact CE2-CD1 4.12Å; F151-I157 HydrophobicContact CG-CD1 4.29Å; F151-I157 HydrophobicContact CG-CG1 4.38Å; F151-I157 HydrophobicContact CZ-CD1 3.99Å; I157-W169 HydrophobicContact CG2-CB 3.82Å; I157-W169 HydrophobicContact CG2-CG 4.29Å; I157-W169 PolarHBondContact N-O 2.86Å; I157-W169 PolarHBondContact O-N 3.03Å; I157-I171 HydrophobicContact CB-CD1 4.16Å; I157-I171 HydrophobicContact CB-CG1 4.46Å; I157-I171 HydrophobicContact CG2-CD1 4.15Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å
158	I	98.8	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.9	170.1	-56	-170.8	0	0	0	109	C149 R150 I152 A167 L168 L190 L192 F199 I213	C149-I158 CarbonylContact C-O 3.59Å; C149-I158 WeakPolarHBondContact CA-O 3.43Å; R150-I158 PolarHBondContact N-O 2.81Å; R150-I158 PolarHBondContact O-N 2.89Å; I152-I158 HydrophobicContact CD1-CD1 4.04Å; I152-I158 HydrophobicContact CD1-CG1 3.99Å; I152-I158 HydrophobicContact CG1-CD1 4.43Å; I152-I158 HydrophobicContact CG1-CG1 4.23Å; I158-A167 CarbonylContact C-O 3.48Å; I158-A167 VanDerWaalsContact CA-O 3.25Å; I158-A167 WeakPolarHBondContact CA-O 3.23Å; I158-L168 HydrophobicContact CD1-CD1 4.47Å; I158-L168 HydrophobicContact CG1-CD1 3.77Å; I158-L190 HydrophobicContact CG2-CD1 4.5Å; I158-L190 HydrophobicContact CG2-CD2 3.87Å; I158-L192 HydrophobicContact CD1-CD2 3.66Å; I158-L192 HydrophobicContact CG1-CD2 4.38Å; I158-F199 HydrophobicContact CD1-CD1 3.58Å; I158-F199 HydrophobicContact CD1-CE1 3.93Å; I158-F199 HydrophobicContact CD1-CG 4.11Å; I158-F199 HydrophobicContact CG2-CE1 4.36Å; I158-F199 HydrophobicContact CG2-CE2 4.32Å; I158-F199 HydrophobicContact CG2-CZ 4.23Å; I158-I213 HydrophobicContact CD1-CD1 3.71Å; I158-I213 HydrophobicContact CD1-CG1 3.93Å
159	T	98.8	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153	173.7	56.9	0	0	0	0	111.7	C121 H142 L146 C148 C149 C166 A167 W169	C121-T159 HydrophobicContact CB-CG2 4.01Å; H142-T159 PolarHBondContact NE2-OG1 2.85Å; L146-T159 HydrophobicContact CD1-CG2 3.83Å; L146-T159 HydrophobicContact CD2-CG2 4.44Å; C148-T159 WeakPolarHBondContact O-CA 3.13Å; C149-T159 HydrophobicContact CB-CG2 3.96Å; T159-C166 CarbonylContact O-C 3.52Å; T159-C166 WeakPolarHBondContact O-CA 3.32Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.44Å; T159-A167 PolarHBondContact N-O 2.96Å; T159-A167 PolarHBondContact O-N 2.79Å; T159-W169 PolarHBondContact OG1-NE1 3.34Å
160	S	98.8	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.7	165.5	58.2	0	0	0	0	110.1	S147 C148	S147-S160 PolarHBondContact N-O 3.28Å; S147-S160 VanDerWaalsContact OG-C 3.3Å; S147-S160 WeakPolarHBondContact OG-CB 3.47Å; S147-S160 PolarHBondContact OG-O 3.11Å; S147-S160 VanDerWaalsContact OG-O 3.07Å; S147-S160 PolarHBondContact OG-OG 3.4Å; C148-S160 WeakPolarHBondContact CB-OG 3.39Å; C148-S160 PolarHBondContact N-OG 2.6Å; C148-S160 PolarHBondContact O-N 2.88Å
161	S	98.8	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.6	-171.4	175.1	0	0	0	0	113.1	H142 G144 Y145 D163 T164 T165 V187	H142-S161 VanDerWaalsContact CE1-CB 3.43Å; H142-S161 WeakPolarHBondContact CE1-CB 3.38Å; H142-S161 VanDerWaalsContact CG-CB 3.5Å; H142-S161 WeakPolarHBondContact ND1-CB 3.2Å; H142-S161 PolarHBondContact ND1-OG 2.99Å; G144-S161 PolarHBondContact O-OG 2.95Å; Y145-S161 CarbonylContact O-C 3.6Å; Y145-S161 VanDerWaalsContact O-CA 3.25Å; Y145-S161 WeakPolarHBondContact O-CA 3.45Å; Y145-S161 PolarHBondContact O-OG 2.95Å; S161-D163 VanDerWaalsContact CB-OD1 3.28Å; S161-D163 WeakPolarHBondContact CB-OD1 3.05Å; S161-D163 PolarHBondContact O-N 2.55Å; S161-D163 PolarHBondContact OG-N 3.19Å; S161-D163 VanDerWaalsContact OG-N 3.14Å; S161-D163 PolarHBondContact OG-OD1 3.05Å; S161-D163 PolarHBondContact OG-OD2 3.28Å; S161-T164 PolarHBondContact O-N 2.88Å; S161-T165 PolarHBondContact N-O 2.9Å; S161-V187 PolarHBondContact O-N 2.89Å; S161-V187 VanDerWaalsContact O-N 3.11Å
162	G	98.6	Very high	98.2	Very high	11 Å²	11	27.5 Å²	27.5	11%	0.113	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-5.4	168.5	0	0	0	0	0	114.1	Y145 T164	Y145-G162 PolarHBondContact O-N 3.36Å; G162-T164 PolarHBondContact O-N 3.41Å
163	D	98.4	Very high	98.2	Very high	28 Å²	28	30.2 Å²	30.2	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	14.8	170.4	63.1	28.8	0	0	0	114.4	H142 T143 S161 T165	H142-D163 VanDerWaalsContact CA-OD2 3.25Å; H142-D163 WeakPolarHBondContact CA-OD2 3.22Å; H142-D163 VanDerWaalsContact CB-OD2 3.28Å; H142-D163 WeakPolarHBondContact CB-OD2 3.41Å; H142-D163 IonicContact CE1-OD2 3.84Å; H142-D163 IonicContact CG-OD2 3.1Å; H142-D163 IonicContact ND1-OD1 2.71Å; H142-D163 PolarHBondContact ND1-OD1 2.88Å; H142-D163 IonicContact ND1-OD2 3.48Å; H142-D163 PolarHBondContact ND1-OD2 2.51Å; T143-D163 PolarHBondContact N-OD2 3.05Å; T143-D163 VanDerWaalsContact OG1-CB 3.23Å; T143-D163 WeakPolarHBondContact OG1-CB 3.23Å; S161-D163 VanDerWaalsContact CB-OD1 3.28Å; S161-D163 WeakPolarHBondContact CB-OD1 3.05Å; S161-D163 PolarHBondContact O-N 2.55Å; S161-D163 PolarHBondContact OG-N 3.19Å; S161-D163 VanDerWaalsContact OG-N 3.14Å; S161-D163 PolarHBondContact OG-OD1 3.05Å; S161-D163 PolarHBondContact OG-OD2 3.28Å; D163-T165 VanDerWaalsContact C-N 3.25Å; D163-T165 PolarHBondContact O-N 2.9Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 3.23Å; D163-T165 PolarHBondContact OD1-OG1 2.76Å
164	T	98.6	Very high	98.1	Very high	47 Å²	47	28.3 Å²	28.3	29%	0.288	16%	0.155	S	C	.	.	S	Bend	trans	69.8	9.7	-179	86.6	0	0	0	0	115.8	S161 G162 G185	S161-T164 PolarHBondContact O-N 2.88Å; G162-T164 PolarHBondContact O-N 3.41Å; T164-G185 WeakPolarHBondContact CB-O 3.38Å
165	T	98.6	Very high	98	Very high	22 Å²	22	32.5 Å²	32.5	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	157.2	179.5	74.4	0	0	0	0	113.4	H142 S161 D163 V179	H142-T165 PolarHBondContact CE1-OG1 2.86Å; S161-T165 PolarHBondContact N-O 2.9Å; D163-T165 VanDerWaalsContact C-N 3.25Å; D163-T165 PolarHBondContact O-N 2.9Å; D163-T165 WeakPolarHBondContact OD1-CB 3.27Å; D163-T165 PolarHBondContact OD1-N 3.23Å; D163-T165 PolarHBondContact OD1-OG1 2.76Å; T165-V179 HydrophobicContact CG2-CG1 4.19Å
166	C	98.8	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	159.8	156	-60.9	0	0	0	0	109.7	T159 F180 F199	T159-C166 CarbonylContact O-C 3.52Å; T159-C166 WeakPolarHBondContact O-CA 3.32Å; T159-C166 VanDerWaalsContact O-CB 3.24Å; T159-C166 WeakPolarHBondContact O-CB 3.44Å; C166-F180 HydrophobicContact CB-CB 4.01Å; C166-F180 HydrophobicContact CB-CD2 4.14Å; C166-F180 HydrophobicContact CB-CG 4.49Å; C166-F180 PolarHBondContact N-O 2.79Å; C166-F180 PolarHBondContact O-N 3.07Å; C166-F199 HydrophobicContact CB-CE2 3.95Å; C166-F199 HydrophobicContact CB-CZ 3.9Å
167	A	98.6	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140.3	-178.5	0	0	0	0	0	111.7	I158 T159 W169 Q176 T178	I158-A167 CarbonylContact C-O 3.48Å; I158-A167 VanDerWaalsContact CA-O 3.25Å; I158-A167 WeakPolarHBondContact CA-O 3.23Å; T159-A167 PolarHBondContact N-O 2.96Å; T159-A167 PolarHBondContact O-N 2.79Å; A167-W169 HydrophobicContact CB-CZ2 4.07Å; A167-Q176 HydrophobicContact CB-CG 3.99Å; A167-T178 WeakPolarHBondContact CA-O 3.46Å
168	L	98.7	Very high	97.8	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.9	165	179.4	67.6	0	0	0	108.2	I152 Q156 I158 Q176 T177 T178 F180 I213	I152-L168 HydrophobicContact CD1-CD1 3.6Å; Q156-L168 HydrophobicContact CB-CD1 4.26Å; I158-L168 HydrophobicContact CD1-CD1 4.47Å; I158-L168 HydrophobicContact CG1-CD1 3.77Å; L168-Q176 CarbonylContact O-C 3.55Å; L168-T177 WeakPolarHBondContact CB-OG1 3.38Å; L168-T177 WeakPolarHBondContact CD2-OG1 3.49Å; L168-T177 VanDerWaalsContact CG-OG1 3.22Å; L168-T177 WeakPolarHBondContact CG-OG1 3.4Å; L168-T177 PolarHBondContact O-N 3.11Å; L168-T177 PolarHBondContact O-OG1 2.68Å; L168-T177 VanDerWaalsContact O-OG1 3.08Å; L168-T178 PolarHBondContact N-O 3.23Å; L168-T178 PolarHBondContact O-N 3.31Å; L168-F180 HydrophobicContact CB-CE2 3.92Å; L168-F180 HydrophobicContact CB-CZ 4.4Å; L168-I213 HydrophobicContact CD2-CG2 3.96Å
169	W	98.6	Very high	97.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.3	-177.7	-58.6	82.9	0	0	0	111.3	L139 Q156 I157 T159 A167 Q175 Q176	L139-W169 HydrophobicContact CB-CD2 4.09Å; L139-W169 HydrophobicContact CB-CE3 3.83Å; L139-W169 HydrophobicContact CB-CH2 4.46Å; L139-W169 HydrophobicContact CB-CZ3 4.02Å; L139-W169 HydrophobicContact CD1-CB 3.8Å; L139-W169 HydrophobicContact CD1-CD2 4.06Å; L139-W169 HydrophobicContact CD1-CE3 4.35Å; L139-W169 HydrophobicContact CD1-CG 3.82Å; L139-W169 HydrophobicContact CD2-CE3 4.24Å; L139-W169 HydrophobicContact CG-CE3 4.36Å; Q156-W169 WeakPolarHBondContact CA-O 3.21Å; I157-W169 HydrophobicContact CG2-CB 3.82Å; I157-W169 HydrophobicContact CG2-CG 4.29Å; I157-W169 PolarHBondContact N-O 2.86Å; I157-W169 PolarHBondContact O-N 3.03Å; T159-W169 PolarHBondContact OG1-NE1 3.34Å; A167-W169 HydrophobicContact CB-CZ2 4.07Å; W169-Q175 WeakPolarHBondContact CA-O 3.23Å; W169-Q176 HydrophobicContact CD2-CB 4.34Å; W169-Q176 HydrophobicContact CE3-CB 3.94Å; W169-Q176 HydrophobicContact CH2-CB 4.05Å; W169-Q176 HydrophobicContact CZ2-CB 4.42Å; W169-Q176 HydrophobicContact CZ2-CG 4.5Å; W169-Q176 HydrophobicContact CZ3-CB 3.79Å
170	D	98.1	Very high	97.8	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.219	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.4	160.6	178.6	-60.4	0	0	0	107.9	E172 T173 S174 Q175 T177	D170-E172 WeakPolarHBondContact OD1-CB 3.38Å; D170-E172 PolarHBondContact OD1-N 3.36Å; D170-T173 WeakPolarHBondContact CB-OG1 3.5Å; D170-T173 WeakPolarHBondContact OD1-CB 3.36Å; D170-T173 PolarHBondContact OD1-N 3.17Å; D170-T173 PolarHBondContact OD1-OG1 3.39Å; D170-S174 VanDerWaalsContact O-CA 3.3Å; D170-S174 WeakPolarHBondContact O-CA 3.22Å; D170-S174 PolarHBondContact O-N 3.21Å; D170-Q175 PolarHBondContact N-O 3.11Å; D170-Q175 PolarHBondContact O-N 2.86Å; D170-T177 HydrophobicContact CB-CG2 3.59Å
171	I	97.4	Very high	97.7	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.4	-175	-63.9	172.3	0	0	0	110.9	I123 R137 F151 D154 N155 I157 S174	I123-I171 HydrophobicContact CD1-CB 4.08Å; I123-I171 HydrophobicContact CD1-CD1 3.75Å; I123-I171 HydrophobicContact CD1-CG1 3.53Å; I123-I171 HydrophobicContact CD1-CG2 3.54Å; R137-I171 HydrophobicContact CB-CG2 4.46Å; R137-I171 HydrophobicContact CG-CG2 4.06Å; R137-I171 WeakPolarHBondContact CG-O 3.14Å; F151-I171 HydrophobicContact CD1-CD1 3.87Å; F151-I171 HydrophobicContact CE1-CD1 3.67Å; D154-I171 WeakPolarHBondContact O-CD1 3.22Å; N155-I171 WeakPolarHBondContact O-CB 3.28Å; N155-I171 WeakPolarHBondContact O-CG1 3.25Å; N155-I171 PolarHBondContact O-N 2.96Å; I157-I171 HydrophobicContact CB-CD1 4.16Å; I157-I171 HydrophobicContact CB-CG1 4.46Å; I157-I171 HydrophobicContact CG2-CD1 4.15Å; I157-I171 HydrophobicContact CG2-CG1 3.93Å; I171-S174 PolarHBondContact O-N 2.8Å
172	E	95.6	Very high	97.7	Very high	133 Å²	133	42 Å²	42	62%	0.621	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-48.1	-175.9	-176.8	173.2	-178	0	0	110.9	R137 D170	R137-E172 PolarHBondContact NE-O 3.04Å; D170-E172 WeakPolarHBondContact OD1-CB 3.38Å; D170-E172 PolarHBondContact OD1-N 3.36Å
173	T	96.5	Very high	97.7	Very high	76 Å²	76	41.9 Å²	41.9	47%	0.466	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.3	-179.2	62.9	0	0	0	0	113.7	D170 Q175	D170-T173 WeakPolarHBondContact CB-OG1 3.5Å; D170-T173 WeakPolarHBondContact OD1-CB 3.36Å; D170-T173 PolarHBondContact OD1-N 3.17Å; D170-T173 PolarHBondContact OD1-OG1 3.39Å; T173-Q175 PolarHBondContact O-N 3.44Å; T173-Q175 PolarHBondContact OG1-N 2.88Å
174	S	96.4	Very high	97.7	Very high	30 Å²	30	46.6 Å²	46.6	21%	0.21	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	29.6	-173.4	-49.2	0	0	0	0	113.5	R137 D170 I171	R137-S174 WeakPolarHBondContact CD-OG 3.47Å; D170-S174 VanDerWaalsContact O-CA 3.3Å; D170-S174 WeakPolarHBondContact O-CA 3.22Å; D170-S174 PolarHBondContact O-N 3.21Å; I171-S174 PolarHBondContact O-N 2.8Å
175	Q	96.5	Very high	97.6	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	145.6	179.9	-64.5	-60.4	-45.7	0	0	110.8	W169 D170 T173 T177	W169-Q175 WeakPolarHBondContact CA-O 3.23Å; D170-Q175 PolarHBondContact N-O 3.11Å; D170-Q175 PolarHBondContact O-N 2.86Å; T173-Q175 PolarHBondContact O-N 3.44Å; T173-Q175 PolarHBondContact OG1-N 2.88Å; Q175-T177 PolarHBondContact O-N 3.05Å
176	Q	96.3	Very high	97.6	Very high	60 Å²	60	46.5 Å²	46.5	28%	0.28	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	114.7	168.6	-174.4	169.7	-1.7	0	0	108.7	A167 L168 W169 T178 V179	A167-Q176 HydrophobicContact CB-CG 3.99Å; L168-Q176 CarbonylContact O-C 3.55Å; W169-Q176 HydrophobicContact CD2-CB 4.34Å; W169-Q176 HydrophobicContact CE3-CB 3.94Å; W169-Q176 HydrophobicContact CH2-CB 4.05Å; W169-Q176 HydrophobicContact CZ2-CB 4.42Å; W169-Q176 HydrophobicContact CZ2-CG 4.5Å; W169-Q176 HydrophobicContact CZ3-CB 3.79Å; Q176-T178 PolarHBondContact NE2-O 2.9Å; Q176-V179 HydrophobicContact CG-CG2 4.31Å
177	T	96.2	Very high	97.7	Very high	70 Å²	70	46.5 Å²	46.5	43%	0.429	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-35.9	179.9	59	0	0	0	0	111.7	L168 D170 Q175	L168-T177 WeakPolarHBondContact CB-OG1 3.38Å; L168-T177 WeakPolarHBondContact CD2-OG1 3.49Å; L168-T177 VanDerWaalsContact CG-OG1 3.22Å; L168-T177 WeakPolarHBondContact CG-OG1 3.4Å; L168-T177 PolarHBondContact O-N 3.11Å; L168-T177 PolarHBondContact O-OG1 2.68Å; L168-T177 VanDerWaalsContact O-OG1 3.08Å; D170-T177 HydrophobicContact CB-CG2 3.59Å; Q175-T177 PolarHBondContact O-N 3.05Å
178	T	97.4	Very high	97.7	Very high	23 Å²	23	48.7 Å²	48.7	14%	0.141	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.8	-177.2	-54.1	0	0	0	0	110.5	A167 L168 Q176 F180 S216	A167-T178 WeakPolarHBondContact CA-O 3.46Å; L168-T178 PolarHBondContact N-O 3.23Å; L168-T178 PolarHBondContact O-N 3.31Å; Q176-T178 PolarHBondContact NE2-O 2.9Å; T178-F180 HydrophobicContact CG2-CD1 4.32Å; T178-F180 HydrophobicContact CG2-CD2 4.39Å; T178-F180 HydrophobicContact CG2-CE1 3.91Å; T178-F180 HydrophobicContact CG2-CE2 3.99Å; T178-F180 HydrophobicContact CG2-CZ 3.72Å; T178-S216 VanDerWaalsContact CG2-CB 3.43Å; T178-S216 WeakPolarHBondContact CG2-OG 3.35Å
179	V	97.9	Very high	97.6	Very high	73 Å²	73	48.8 Å²	48.8	44%	0.442	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.5	168.8	-164.2	0	0	0	0	108.5	T165 Q176	T165-V179 HydrophobicContact CG2-CG1 4.19Å; Q176-V179 HydrophobicContact CG-CG2 4.31Å
180	F	98.5	Very high	97.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	97.7	174.5	-56.4	-85	0	0	0	108.6	C166 L168 T178 F199 W211	C166-F180 HydrophobicContact CB-CB 4.01Å; C166-F180 HydrophobicContact CB-CD2 4.14Å; C166-F180 HydrophobicContact CB-CG 4.49Å; C166-F180 PolarHBondContact N-O 2.79Å; C166-F180 PolarHBondContact O-N 3.07Å; L168-F180 HydrophobicContact CB-CE2 3.92Å; L168-F180 HydrophobicContact CB-CZ 4.4Å; T178-F180 HydrophobicContact CG2-CD1 4.32Å; T178-F180 HydrophobicContact CG2-CD2 4.39Å; T178-F180 HydrophobicContact CG2-CE1 3.91Å; T178-F180 HydrophobicContact CG2-CE2 3.99Å; T178-F180 HydrophobicContact CG2-CZ 3.72Å; F180-F199 HydrophobicContact CB-CZ 4.25Å; F180-F199 HydrophobicContact CD1-CE1 4.04Å; F180-F199 HydrophobicContact CD1-CZ 4.12Å; F180-F199 AromaticContact CD2-CE1 3.9Å; F180-F199 HydrophobicContact CD2-CE1 3.9Å; F180-F199 AromaticContact CD2-CZ 3.69Å; F180-F199 HydrophobicContact CD2-CZ 3.69Å; F180-F199 AromaticContact CE1-CE1 3.85Å; F180-F199 HydrophobicContact CE1-CE1 3.85Å; F180-F199 HydrophobicContact CE1-CZ 4.39Å; F180-F199 AromaticContact CE2-CE1 3.72Å; F180-F199 HydrophobicContact CE2-CE1 3.72Å; F180-F199 AromaticContact CE2-CZ 3.99Å; F180-F199 HydrophobicContact CE2-CZ 3.99Å; F180-F199 HydrophobicContact CG-CE1 4.06Å; F180-F199 AromaticContact CG-CZ 3.76Å; F180-F199 HydrophobicContact CG-CZ 3.76Å; F180-F199 AromaticContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CZ 4.34Å; F180-W211 HydrophobicContact CB-CD2 4.03Å; F180-W211 HydrophobicContact CB-CE3 3.76Å; F180-W211 HydrophobicContact CB-CH2 4.34Å; F180-W211 HydrophobicContact CB-CZ3 3.91Å; F180-W211 HydrophobicContact CD1-CB 4.1Å; F180-W211 HydrophobicContact CD1-CD2 4.24Å; F180-W211 AromaticContact CD1-CE3 3.86Å; F180-W211 HydrophobicContact CD1-CE3 3.86Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.36Å; F180-W211 HydrophobicContact CG-CD2 4.45Å; F180-W211 HydrophobicContact CG-CE3 4.25Å
181	S	97.5	Very high	97.7	Very high	81 Å²	81	47.8 Å²	47.8	57%	0.566	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.6	-179.3	-56.9	0	0	0	0	110.6
182	G	97.5	Very high	97.7	Very high	40 Å²	40	48.5 Å²	48.5	41%	0.412	29%	0.285	S	S	.	.			trans	159	-12.1	177.1	0	0	0	0	0	115.1	K209	G182-K209 WeakPolarHBondContact O-CE 3.23Å; G182-K209 PolarHBondContact O-NZ 3.28Å
183	H	98.6	Very high	97.9	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.042	26%	0.256	C	S	.	.			trans	-74	151	164.1	-80.5	-67.3	0	0	0	111	V187 S201 A203 D205 S207 W211	H183-V187 HydrophobicContact CB-CG2 3.99Å; H183-S201 PolarHBondContact CD2-OG 2.89Å; H183-S201 PolarHBondContact NE2-OG 3.03Å; H183-A203 HydrophobicContact CB-CB 4.33Å; H183-A203 VanDerWaalsContact ND1-CB 3.31Å; H183-A203 WeakPolarHBondContact ND1-CB 3.38Å; H183-D205 VanDerWaalsContact CA-OD2 3.29Å; H183-D205 WeakPolarHBondContact CA-OD2 3.45Å; H183-D205 WeakPolarHBondContact CB-OD2 3.25Å; H183-D205 IonicContact CE1-OD1 2.8Å; H183-D205 IonicContact CG-OD2 2.77Å; H183-D205 IonicContact ND1-OD1 3.93Å; H183-D205 PolarHBondContact ND1-OD1 2.92Å; H183-D205 IonicContact ND1-OD2 3.87Å; H183-D205 PolarHBondContact ND1-OD2 3.45Å; H183-S207 PolarHBondContact CE1-O 3Å; H183-W211 AromaticContact CD2-CZ2 3.96Å
184	T	98.3	Very high	97.9	Very high	126 Å²	126	42.5 Å²	42.5	77%	0.773	26%	0.259	S	S	*	.	S	Bend	trans	-111.5	6.8	178.5	57	0	0	0	0	113.1	D205	T184-D205 PolarHBondContact N-OD2 2.77Å; T184-D205 WeakPolarHBondContact OG1-CB 3.1Å
185	G	98.4	Very high	97.9	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-145.9	174.9	173.8	0	0	0	0	0	110.5	T164 V187	T164-G185 WeakPolarHBondContact CB-O 3.38Å; G185-V187 PolarHBondContact O-N 3.2Å
186	D	98.8	Very high	97.9	Very high	56 Å²	56	42.9 Å²	42.9	30%	0.299	26%	0.262	S	S	.	.			trans	-54.1	127.8	-178.6	-60.8	19.6	0	0	0	110.7	Y145 M188 A203 C204	Y145-D186 WeakPolarHBondContact CE1-OD2 3.49Å; Y145-D186 VanDerWaalsContact OH-CB 3.32Å; Y145-D186 WeakPolarHBondContact OH-CB 3.35Å; Y145-D186 PolarHBondContact OH-OD2 3.14Å; D186-M188 HydrophobicContact CB-SD 4.4Å; D186-A203 CarbonylContact O-C 3.55Å; D186-A203 WeakPolarHBondContact O-CA 3.49Å; D186-A203 VanDerWaalsContact O-CB 3.27Å; D186-A203 WeakPolarHBondContact O-CB 3.35Å; D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 2.94Å
187	V	98.9	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.9	176.4	-170.2	0	0	0	0	107.4	S147 S161 H183 G185 A203	S147-V187 WeakPolarHBondContact CB-O 3.36Å; S147-V187 PolarHBondContact OG-O 3.46Å; S161-V187 PolarHBondContact O-N 2.89Å; S161-V187 VanDerWaalsContact O-N 3.11Å; H183-V187 HydrophobicContact CB-CG2 3.99Å; G185-V187 PolarHBondContact O-N 3.2Å; V187-A203 HydrophobicContact CG2-CB 4.4Å
188	M	98.8	Very high	98.1	Very high	46 Å²	46	46.3 Å²	46.3	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-29.4	-171.4	-64.9	-59.2	-72.8	0	0	113.1	S147 D186 G202 I229	S147-M188 WeakPolarHBondContact CB-O 3.25Å; D186-M188 HydrophobicContact CB-SD 4.4Å; M188-G202 PolarHBondContact N-O 2.9Å; M188-I229 WeakPolarHBondContact CB-O 3.27Å
189	S	98.4	Very high	98.1	Very high	10 Å²	10	45.2 Å²	45.2	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.9	-175.6	65	0	0	0	0	112.8	S201 G202 N230 A231 S232	S189-S201 CarbonylContact O-C 3.56Å; S189-S201 VanDerWaalsContact O-CA 3.23Å; S189-S201 WeakPolarHBondContact O-CA 3.5Å; S189-G202 PolarHBondContact N-O 2.88Å; S189-G202 PolarHBondContact O-N 3.36Å; S189-N230 WeakPolarHBondContact CB-O 3.46Å; S189-A231 VanDerWaalsContact OG-C 3.29Å; S189-A231 WeakPolarHBondContact OG-CA 3.47Å; S189-S232 PolarHBondContact OG-N 3.43Å; S189-S232 VanDerWaalsContact OG-N 3.14Å; S189-S232 PolarHBondContact OG-OG 3.3Å
190	L	98.6	Very high	98.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151	169.3	71	89.3	0	0	0	111.1	C148 R150 I158 F199 V200	C148-L190 HydrophobicContact CB-CD2 4.35Å; C148-L190 HydrophobicContact CB-CG 4.13Å; R150-L190 HydrophobicContact CB-CD1 3.78Å; R150-L190 HydrophobicContact CG-CD1 3.55Å; I158-L190 HydrophobicContact CG2-CD1 4.5Å; I158-L190 HydrophobicContact CG2-CD2 3.87Å; L190-F199 HydrophobicContact CB-CD2 4.27Å; L190-V200 CarbonylContact C-O 3.59Å; L190-V200 WeakPolarHBondContact CA-O 3.05Å
191	S	98.8	Very high	98.2	Very high	19 Å²	19	41.6 Å²	41.6	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.3	171.9	-175.2	0	0	0	0	109.4	F199 V200 F234	S191-F199 CarbonylContact O-C 3.56Å; S191-F199 VanDerWaalsContact O-CA 3.28Å; S191-F199 WeakPolarHBondContact O-CA 3.33Å; S191-F199 WeakPolarHBondContact O-CB 3.37Å; S191-V200 PolarHBondContact N-O 2.76Å; S191-V200 PolarHBondContact O-N 3.45Å; S191-F234 WeakPolarHBondContact O-CD2 3.27Å; S191-F234 WeakPolarHBondContact O-CE2 3.1Å; S191-F234 PolarHBondContact OG-N 2.89Å
192	L	98.7	Very high	98.3	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	145.4	172.5	-70.2	169.6	0	0	0	110.4	R150 F151 I152 I158 L196 F199 I213 F234	R150-L192 HydrophobicContact CB-CD1 3.61Å; R150-L192 HydrophobicContact CB-CG 3.98Å; F151-L192 VanDerWaalsContact O-CD1 3.23Å; F151-L192 WeakPolarHBondContact O-CD1 3.33Å; I152-L192 HydrophobicContact CG1-CD1 4.33Å; I152-L192 HydrophobicContact CG1-CD2 4.22Å; I158-L192 HydrophobicContact CD1-CD2 3.66Å; I158-L192 HydrophobicContact CG1-CD2 4.38Å; L192-L196 HydrophobicContact CB-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD2 3.97Å; L192-F199 HydrophobicContact CD2-CB 4.04Å; L192-I213 HydrophobicContact CD2-CD1 4.13Å; L192-F234 WeakPolarHBondContact O-CD2 3.22Å
193	S	98.1	Very high	98.3	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.028	19%	0.192	C	C	.	.			trans	-69.1	154.2	169.7	59.2	0	0	0	0	110.7	D195 L196 R197 T198 F234	S193-D195 WeakPolarHBondContact CB-OD1 3.24Å; S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.11Å; S193-D195 PolarHBondContact OG-OD1 2.89Å; S193-L196 WeakPolarHBondContact O-CA 3.35Å; S193-L196 PolarHBondContact O-N 2.94Å; S193-R197 PolarHBondContact OG-N 3.23Å; S193-T198 WeakPolarHBondContact CB-O 3.19Å; S193-T198 VanDerWaalsContact CB-OG1 3.25Å; S193-T198 WeakPolarHBondContact CB-OG1 3.43Å; S193-T198 PolarHBondContact N-O 2.92Å; S193-T198 PolarHBondContact OG-N 2.99Å; S193-T198 PolarHBondContact OG-O 2.94Å; S193-T198 PolarHBondContact OG-OG1 2.78Å; S193-T198 VanDerWaalsContact OG-OG1 3.05Å; S193-F234 VanDerWaalsContact N-CE2 3.33Å
194	P	97.1	Very high	98.3	Very high	79 Å²	79	37.2 Å²	37.2	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.3	179.3	-26.8	35.4	0	0	0	114.8
195	D	96.6	Very high	98.3	Very high	91 Å²	91	33 Å²	33	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.6	176.5	70.9	-9.3	0	0	0	113.8	S193 R197	S193-D195 WeakPolarHBondContact CB-OD1 3.24Å; S193-D195 PolarHBondContact O-N 3.45Å; S193-D195 VanDerWaalsContact O-N 3.11Å; S193-D195 PolarHBondContact OG-OD1 2.89Å; D195-R197 HydrophobicContact CB-CG 4.34Å; D195-R197 WeakPolarHBondContact O-CG 3.5Å; D195-R197 PolarHBondContact O-N 3.02Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 PolarHBondContact OD1-N 3.14Å; D195-R197 VanDerWaalsContact OD1-N 3.12Å; D195-R197 WeakPolarHBondContact OD2-CD 3.11Å
196	L	97.3	Very high	98.4	Very high	71 Å²	71	33.4 Å²	33.4	37%	0.372	18%	0.178	S	C	.	.	S	Bend	trans	57.4	21.9	-179.3	-51.8	175.8	0	0	0	114.6	I152 L192 S193 I213	I152-L196 HydrophobicContact CG2-CB 4.3Å; I152-L196 HydrophobicContact CG2-CD1 4.32Å; L192-L196 HydrophobicContact CB-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD2 3.97Å; S193-L196 WeakPolarHBondContact O-CA 3.35Å; S193-L196 PolarHBondContact O-N 2.94Å; L196-I213 WeakPolarHBondContact O-CD1 3.22Å
197	R	96.9	Very high	98.3	Very high	175 Å²	175	31.2 Å²	31.2	66%	0.66	17%	0.166	S	C	*	.	S	Bend	trans	-95.3	-25.5	179.1	-61.7	-174.9	-177.9	-166.1	-0.5	113.5	S193 D195 I213	S193-R197 PolarHBondContact OG-N 3.23Å; D195-R197 HydrophobicContact CB-CG 4.34Å; D195-R197 WeakPolarHBondContact O-CG 3.5Å; D195-R197 PolarHBondContact O-N 3.02Å; D195-R197 VanDerWaalsContact O-N 3.16Å; D195-R197 PolarHBondContact OD1-N 3.14Å; D195-R197 VanDerWaalsContact OD1-N 3.12Å; D195-R197 WeakPolarHBondContact OD2-CD 3.11Å; R197-I213 WeakPolarHBondContact O-CB 3.3Å; R197-I213 WeakPolarHBondContact O-CG1 3.29Å; R197-I213 PolarHBondContact O-N 3.12Å
198	T	98.4	Very high	98.3	Very high	26 Å²	26	31.2 Å²	31.2	16%	0.16	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.6	-178.9	62.7	0	0	0	0	110	S193 W211	S193-T198 WeakPolarHBondContact CB-O 3.19Å; S193-T198 VanDerWaalsContact CB-OG1 3.25Å; S193-T198 WeakPolarHBondContact CB-OG1 3.43Å; S193-T198 PolarHBondContact N-O 2.92Å; S193-T198 PolarHBondContact OG-N 2.99Å; S193-T198 PolarHBondContact OG-O 2.94Å; S193-T198 PolarHBondContact OG-OG1 2.78Å; S193-T198 VanDerWaalsContact OG-OG1 3.05Å; T198-W211 CarbonylContact C-O 3.48Å; T198-W211 WeakPolarHBondContact CA-O 3.39Å; T198-W211 WeakPolarHBondContact CB-O 3.27Å
199	F	98.8	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.5	168.5	72.7	-85.5	0	0	0	110.3	I158 C166 F180 L190 S191 L192 W211 I213	I158-F199 HydrophobicContact CD1-CD1 3.58Å; I158-F199 HydrophobicContact CD1-CE1 3.93Å; I158-F199 HydrophobicContact CD1-CG 4.11Å; I158-F199 HydrophobicContact CG2-CE1 4.36Å; I158-F199 HydrophobicContact CG2-CE2 4.32Å; I158-F199 HydrophobicContact CG2-CZ 4.23Å; C166-F199 HydrophobicContact CB-CE2 3.95Å; C166-F199 HydrophobicContact CB-CZ 3.9Å; F180-F199 HydrophobicContact CB-CZ 4.25Å; F180-F199 HydrophobicContact CD1-CE1 4.04Å; F180-F199 HydrophobicContact CD1-CZ 4.12Å; F180-F199 AromaticContact CD2-CE1 3.9Å; F180-F199 HydrophobicContact CD2-CE1 3.9Å; F180-F199 AromaticContact CD2-CZ 3.69Å; F180-F199 HydrophobicContact CD2-CZ 3.69Å; F180-F199 AromaticContact CE1-CE1 3.85Å; F180-F199 HydrophobicContact CE1-CE1 3.85Å; F180-F199 HydrophobicContact CE1-CZ 4.39Å; F180-F199 AromaticContact CE2-CE1 3.72Å; F180-F199 HydrophobicContact CE2-CE1 3.72Å; F180-F199 AromaticContact CE2-CZ 3.99Å; F180-F199 HydrophobicContact CE2-CZ 3.99Å; F180-F199 HydrophobicContact CG-CE1 4.06Å; F180-F199 AromaticContact CG-CZ 3.76Å; F180-F199 HydrophobicContact CG-CZ 3.76Å; F180-F199 AromaticContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CE1 3.71Å; F180-F199 HydrophobicContact CZ-CZ 4.34Å; L190-F199 HydrophobicContact CB-CD2 4.27Å; S191-F199 CarbonylContact O-C 3.56Å; S191-F199 VanDerWaalsContact O-CA 3.28Å; S191-F199 WeakPolarHBondContact O-CA 3.33Å; S191-F199 WeakPolarHBondContact O-CB 3.37Å; L192-F199 HydrophobicContact CD2-CB 4.04Å; F199-W211 HydrophobicContact CD1-CB 3.77Å; F199-W211 HydrophobicContact CD1-CG 4.45Å; F199-W211 HydrophobicContact CD2-CB 4.5Å; F199-W211 AromaticContact CD2-CD1 3.73Å; F199-W211 HydrophobicContact CD2-CG 4.41Å; F199-W211 HydrophobicContact CE1-CB 3.35Å; F199-W211 AromaticContact CE1-CG 3.85Å; F199-W211 HydrophobicContact CE1-CG 3.85Å; F199-W211 HydrophobicContact CE2-CB 4.15Å; F199-W211 AromaticContact CE2-CD1 3.23Å; F199-W211 AromaticContact CE2-CG 3.8Å; F199-W211 HydrophobicContact CE2-CG 3.8Å; F199-W211 AromaticContact CE2-NE1 3.85Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.56Å; F199-W211 AromaticContact CZ-CD1 3.44Å; F199-W211 VanDerWaalsContact CZ-CD1 3.44Å; F199-W211 HydrophobicContact CZ-CD2 4.28Å; F199-W211 AromaticContact CZ-CG 3.48Å; F199-W211 HydrophobicContact CZ-CG 3.48Å; F199-W211 VanDerWaalsContact CZ-CG 3.48Å; F199-W211 PolarHBondContact N-O 3.45Å; F199-W211 PolarHBondContact O-N 2.92Å; F199-I213 HydrophobicContact CD1-CD1 4.29Å; F199-I213 HydrophobicContact CD1-CG1 3.79Å; F199-I213 HydrophobicContact CE1-CG1 4.31Å
200	V	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.1	170.2	-66.1	0	0	0	0	109.5	L190 S191 K209 L210 F234 F241	L190-V200 CarbonylContact C-O 3.59Å; L190-V200 WeakPolarHBondContact CA-O 3.05Å; S191-V200 PolarHBondContact N-O 2.76Å; S191-V200 PolarHBondContact O-N 3.45Å; V200-K209 CarbonylContact C-O 3.52Å; V200-K209 WeakPolarHBondContact CA-O 3.46Å; V200-L210 HydrophobicContact CG1-CB 4.4Å; V200-L210 HydrophobicContact CG1-CD1 3.74Å; V200-F234 HydrophobicContact CB-CE2 4.16Å; V200-F234 HydrophobicContact CG1-CE1 4.39Å; V200-F234 HydrophobicContact CG1-CE2 3.8Å; V200-F234 HydrophobicContact CG1-CZ 3.66Å; V200-F234 HydrophobicContact CG2-CD2 3.87Å; V200-F234 HydrophobicContact CG2-CE2 3.69Å; V200-F234 HydrophobicContact CG2-CZ 4.36Å; V200-F241 HydrophobicContact CB-CD2 4.49Å; V200-F241 HydrophobicContact CG1-CD1 3.96Å; V200-F241 HydrophobicContact CG1-CD2 4.45Å; V200-F241 HydrophobicContact CG1-CE1 4.19Å; V200-F241 HydrophobicContact CG1-CG 4.09Å; V200-F241 HydrophobicContact CG2-CB 4.27Å; V200-F241 HydrophobicContact CG2-CD2 4.22Å; V200-F241 HydrophobicContact CG2-CG 4.23Å
201	S	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.3	170.2	58.5	0	0	0	0	110.7	H183 S189 A208 K209 W211	H183-S201 PolarHBondContact CD2-OG 2.89Å; H183-S201 PolarHBondContact NE2-OG 3.03Å; S189-S201 CarbonylContact O-C 3.56Å; S189-S201 VanDerWaalsContact O-CA 3.23Å; S189-S201 WeakPolarHBondContact O-CA 3.5Å; S201-A208 CarbonylContact O-C 3.49Å; S201-A208 WeakPolarHBondContact O-CA 3.13Å; S201-K209 PolarHBondContact N-O 3.48Å; S201-K209 PolarHBondContact O-N 3.07Å; S201-W211 PolarHBondContact OG-NE1 3.05Å
202	G	98.8	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141	172	0	0	0	0	0	110.5	M188 S189 I229	M188-G202 PolarHBondContact N-O 2.9Å; S189-G202 PolarHBondContact N-O 2.88Å; S189-G202 PolarHBondContact O-N 3.36Å; G202-I229 CarbonylContact C-O 3.57Å
203	A	98.9	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	171.6	-170.6	0	0	0	0	0	113.6	H183 D186 V187 D205 A206 S207 I229	H183-A203 HydrophobicContact CB-CB 4.33Å; H183-A203 VanDerWaalsContact ND1-CB 3.31Å; H183-A203 WeakPolarHBondContact ND1-CB 3.38Å; D186-A203 CarbonylContact O-C 3.55Å; D186-A203 WeakPolarHBondContact O-CA 3.49Å; D186-A203 VanDerWaalsContact O-CB 3.27Å; D186-A203 WeakPolarHBondContact O-CB 3.35Å; V187-A203 HydrophobicContact CG2-CB 4.4Å; A203-D205 PolarHBondContact O-N 3.31Å; A203-A206 PolarHBondContact O-N 2.98Å; A203-S207 PolarHBondContact N-O 3.31Å; A203-I229 PolarHBondContact O-N 2.8Å
204	C	98.8	Very high	98.1	Very high	37 Å²	37	40.5 Å²	40.5	25%	0.25	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	1.8	173.5	-62.2	0	0	0	0	114	D186 A206 D228	D186-C204 HydrophobicContact CB-CB 4.39Å; D186-C204 PolarHBondContact O-N 2.94Å; C204-A206 PolarHBondContact O-N 2.74Å; C204-D228 WeakPolarHBondContact CA-OD1 3.13Å; C204-D228 HydrophobicContact CB-CB 4.35Å; C204-D228 VanDerWaalsContact SG-CG 3.52Å; C204-D228 PolarHBondContact SG-OD2 3.02Å
205	D	98.5	Very high	98	Very high	37 Å²	37	40.7 Å²	40.7	20%	0.198	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	13.4	168.7	64.6	18.2	0	0	0	113.1	H183 T184 A203 S207	H183-D205 VanDerWaalsContact CA-OD2 3.29Å; H183-D205 WeakPolarHBondContact CA-OD2 3.45Å; H183-D205 WeakPolarHBondContact CB-OD2 3.25Å; H183-D205 IonicContact CE1-OD1 2.8Å; H183-D205 IonicContact CG-OD2 2.77Å; H183-D205 IonicContact ND1-OD1 3.93Å; H183-D205 PolarHBondContact ND1-OD1 2.92Å; H183-D205 IonicContact ND1-OD2 3.87Å; H183-D205 PolarHBondContact ND1-OD2 3.45Å; T184-D205 PolarHBondContact N-OD2 2.77Å; T184-D205 WeakPolarHBondContact OG1-CB 3.1Å; A203-D205 PolarHBondContact O-N 3.31Å; D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.7Å; D205-S207 VanDerWaalsContact O-N 3.1Å; D205-S207 WeakPolarHBondContact OD1-CA 3.46Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.44Å; D205-S207 PolarHBondContact OD1-N 3.34Å; D205-S207 PolarHBondContact OD1-OG 3.24Å; D205-S207 PolarHBondContact OD2-OG 3.36Å
206	A	98.6	Very high	97.9	Very high	22 Å²	22	38.3 Å²	38.3	18%	0.182	18%	0.184	C	C	.	.	S	Bend	trans	56.1	19.2	-176.1	0	0	0	0	0	114.4	A203 C204 H225 S227	A203-A206 PolarHBondContact O-N 2.98Å; C204-A206 PolarHBondContact O-N 2.74Å; A206-H225 HydrophobicContact CB-CB 4.38Å; A206-S227 WeakPolarHBondContact CA-O 3.24Å; A206-S227 VanDerWaalsContact CB-O 3.25Å; A206-S227 WeakPolarHBondContact CB-O 3.17Å
207	S	98.6	Very high	97.8	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.7	178.6	83.1	0	0	0	0	112.2	H183 A203 D205 F222 I229	H183-S207 PolarHBondContact CE1-O 3Å; A203-S207 PolarHBondContact N-O 3.31Å; D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.7Å; D205-S207 VanDerWaalsContact O-N 3.1Å; D205-S207 WeakPolarHBondContact OD1-CA 3.46Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.44Å; D205-S207 PolarHBondContact OD1-N 3.34Å; D205-S207 PolarHBondContact OD1-OG 3.24Å; D205-S207 PolarHBondContact OD2-OG 3.36Å; S207-F222 WeakPolarHBondContact CA-O 3.38Å; S207-I229 VanDerWaalsContact C-CD1 3.45Å
208	A	98.9	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	140	166	0	0	0	0	0	109.6	S201 T221 F222 I229 F241 T243	S201-A208 CarbonylContact O-C 3.49Å; S201-A208 WeakPolarHBondContact O-CA 3.13Å; A208-T221 CarbonylContact O-C 3.54Å; A208-T221 WeakPolarHBondContact O-CA 3.27Å; A208-F222 HydrophobicContact CB-CB 4.33Å; A208-F222 PolarHBondContact N-O 3.43Å; A208-F222 PolarHBondContact O-N 2.85Å; A208-I229 HydrophobicContact CB-CD1 4.12Å; A208-F241 HydrophobicContact CB-CE2 3.72Å; A208-F241 HydrophobicContact CB-CZ 4Å; A208-T243 HydrophobicContact CB-CG2 4.2Å
209	K	98.9	Very high	97.8	Very high	23 Å²	23	39.7 Å²	39.7	10%	0.1	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137	-179.1	-70	178.8	-172.2	-81.8	0	111	G182 V200 S201 W211 Q220 T221	G182-K209 WeakPolarHBondContact O-CE 3.23Å; G182-K209 PolarHBondContact O-NZ 3.28Å; V200-K209 CarbonylContact C-O 3.52Å; V200-K209 WeakPolarHBondContact CA-O 3.46Å; S201-K209 PolarHBondContact N-O 3.48Å; S201-K209 PolarHBondContact O-N 3.07Å; K209-W211 HydrophobicContact CB-CZ2 3.73Å; K209-W211 HydrophobicContact CD-CH2 4.01Å; K209-W211 HydrophobicContact CD-CZ2 3.53Å; K209-W211 HydrophobicContact CG-CZ2 4.26Å; K209-W211 PolarHBondContact O-NE1 3.12Å; K209-Q220 WeakPolarHBondContact CA-O 3.28Å; K209-T221 HydrophobicContact CG-CG2 4.07Å; K209-T221 PolarHBondContact NZ-OG1 3.5Å
210	L	98.9	Very high	97.8	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.3	171	178.6	73.5	0	0	0	109.2	V200 C218 R219 Q220 F222 F234 L255	V200-L210 HydrophobicContact CG1-CB 4.4Å; V200-L210 HydrophobicContact CG1-CD1 3.74Å; L210-C218 CarbonylContact O-C 3.56Å; L210-C218 WeakPolarHBondContact O-CA 3.28Å; L210-R219 HydrophobicContact CD2-CB 4.14Å; L210-R219 HydrophobicContact CG-CB 4.45Å; L210-R219 PolarHBondContact O-N 3.45Å; L210-Q220 HydrophobicContact CB-CB 4.24Å; L210-Q220 PolarHBondContact N-O 2.9Å; L210-F222 HydrophobicContact CB-CE2 4.11Å; L210-F234 HydrophobicContact CD1-CZ 4.03Å; L210-L255 HydrophobicContact CD1-CD1 4.38Å; L210-L255 HydrophobicContact CD1-CD2 4.39Å; L210-L255 HydrophobicContact CD2-CD1 4.21Å; L210-L255 HydrophobicContact CD2-CD2 4.12Å
211	W	98.8	Very high	97.8	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.5	-178.4	-52.7	91.4	0	0	0	110.9	F180 H183 T198 F199 S201 K209 C218	F180-W211 HydrophobicContact CB-CD2 4.03Å; F180-W211 HydrophobicContact CB-CE3 3.76Å; F180-W211 HydrophobicContact CB-CH2 4.34Å; F180-W211 HydrophobicContact CB-CZ3 3.91Å; F180-W211 HydrophobicContact CD1-CB 4.1Å; F180-W211 HydrophobicContact CD1-CD2 4.24Å; F180-W211 AromaticContact CD1-CE3 3.86Å; F180-W211 HydrophobicContact CD1-CE3 3.86Å; F180-W211 HydrophobicContact CD1-CG 4.36Å; F180-W211 HydrophobicContact CE1-CB 4.36Å; F180-W211 HydrophobicContact CG-CD2 4.45Å; F180-W211 HydrophobicContact CG-CE3 4.25Å; H183-W211 AromaticContact CD2-CZ2 3.96Å; T198-W211 CarbonylContact C-O 3.48Å; T198-W211 WeakPolarHBondContact CA-O 3.39Å; T198-W211 WeakPolarHBondContact CB-O 3.27Å; F199-W211 HydrophobicContact CD1-CB 3.77Å; F199-W211 HydrophobicContact CD1-CG 4.45Å; F199-W211 HydrophobicContact CD2-CB 4.5Å; F199-W211 AromaticContact CD2-CD1 3.73Å; F199-W211 HydrophobicContact CD2-CG 4.41Å; F199-W211 HydrophobicContact CE1-CB 3.35Å; F199-W211 AromaticContact CE1-CG 3.85Å; F199-W211 HydrophobicContact CE1-CG 3.85Å; F199-W211 HydrophobicContact CE2-CB 4.15Å; F199-W211 AromaticContact CE2-CD1 3.23Å; F199-W211 AromaticContact CE2-CG 3.8Å; F199-W211 HydrophobicContact CE2-CG 3.8Å; F199-W211 AromaticContact CE2-NE1 3.85Å; F199-W211 HydrophobicContact CG-CB 4.32Å; F199-W211 HydrophobicContact CZ-CB 3.56Å; F199-W211 AromaticContact CZ-CD1 3.44Å; F199-W211 VanDerWaalsContact CZ-CD1 3.44Å; F199-W211 HydrophobicContact CZ-CD2 4.28Å; F199-W211 AromaticContact CZ-CG 3.48Å; F199-W211 HydrophobicContact CZ-CG 3.48Å; F199-W211 VanDerWaalsContact CZ-CG 3.48Å; F199-W211 PolarHBondContact N-O 3.45Å; F199-W211 PolarHBondContact O-N 2.92Å; S201-W211 PolarHBondContact OG-NE1 3.05Å; K209-W211 HydrophobicContact CB-CZ2 3.73Å; K209-W211 HydrophobicContact CD-CH2 4.01Å; K209-W211 HydrophobicContact CD-CZ2 3.53Å; K209-W211 HydrophobicContact CG-CZ2 4.26Å; K209-W211 PolarHBondContact O-NE1 3.12Å; W211-C218 HydrophobicContact CD2-CB 4.36Å; W211-C218 HydrophobicContact CE3-CB 3.66Å; W211-C218 HydrophobicContact CH2-CB 4.04Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å
212	D	98.2	Very high	97.8	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.9	169	-168.3	-52.5	0	0	0	109.3	R214 D215 S216 M217 R219	D212-R214 PolarHBondContact OD1-N 3.16Å; D212-D215 HydrophobicContact CB-CB 4.12Å; D212-D215 PolarHBondContact OD1-N 2.85Å; D212-S216 WeakPolarHBondContact O-CA 3.17Å; D212-S216 PolarHBondContact O-N 3.34Å; D212-M217 PolarHBondContact N-O 2.84Å; D212-M217 PolarHBondContact O-N 2.95Å; D212-R219 HydrophobicContact CB-CG 4.03Å; D212-R219 IonicContact OD2-CZ 3.15Å; D212-R219 IonicContact OD2-NE 3.68Å; D212-R219 PolarHBondContact OD2-NE 2.83Å; D212-R219 IonicContact OD2-NH2 3.45Å; D212-R219 PolarHBondContact OD2-NH2 2.53Å
213	I	97.2	Very high	97.8	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.092	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-38	-175	-64.9	168.5	0	0	0	110.6	I152 I158 L168 L192 L196 R197 F199	I152-I213 HydrophobicContact CD1-CD1 4.06Å; I152-I213 HydrophobicContact CD1-CG2 4.21Å; I158-I213 HydrophobicContact CD1-CD1 3.71Å; I158-I213 HydrophobicContact CD1-CG1 3.93Å; L168-I213 HydrophobicContact CD2-CG2 3.96Å; L192-I213 HydrophobicContact CD2-CD1 4.13Å; L196-I213 WeakPolarHBondContact O-CD1 3.22Å; R197-I213 WeakPolarHBondContact O-CB 3.3Å; R197-I213 WeakPolarHBondContact O-CG1 3.29Å; R197-I213 PolarHBondContact O-N 3.12Å; F199-I213 HydrophobicContact CD1-CD1 4.29Å; F199-I213 HydrophobicContact CD1-CG1 3.79Å; F199-I213 HydrophobicContact CE1-CG1 4.31Å
214	R	95	Very high	97.7	Very high	221 Å²	221	49.4 Å²	49.4	83%	0.834	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-47.4	-177.1	-179.7	-179.7	178.1	173.6	-0.3	111	D212 S216	D212-R214 PolarHBondContact OD1-N 3.16Å; R214-S216 PolarHBondContact O-N 3.4Å
215	D	94.5	Very high	97.7	Very high	82 Å²	82	48.3 Å²	48.3	44%	0.439	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.6	-176.6	-72.9	5.4	0	0	0	112.2	D212 M217 R219	D212-D215 HydrophobicContact CB-CB 4.12Å; D212-D215 PolarHBondContact OD1-N 2.85Å; D215-M217 WeakPolarHBondContact O-CG 3.32Å; D215-M217 PolarHBondContact O-N 2.87Å; D215-R219 IonicContact OD2-CZ 3.95Å; D215-R219 IonicContact OD2-NH1 3.34Å; D215-R219 IonicContact OD2-NH2 3.38Å; D215-R219 PolarHBondContact OD2-NH2 2.92Å
216	S	94.4	Very high	97.7	Very high	42 Å²	42	54.6 Å²	54.6	29%	0.294	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	31.9	175.5	-56.8	0	0	0	0	113.7	T178 D212 R214	T178-S216 VanDerWaalsContact CG2-CB 3.43Å; T178-S216 WeakPolarHBondContact CG2-OG 3.35Å; D212-S216 WeakPolarHBondContact O-CA 3.17Å; D212-S216 PolarHBondContact O-N 3.34Å; R214-S216 PolarHBondContact O-N 3.4Å
217	M	94.6	Very high	97.7	Very high	121 Å²	121	55.6 Å²	55.6	60%	0.596	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	147	-171.8	-70.6	-69.2	165.7	0	0	112.6	D212 D215 R219	D212-M217 PolarHBondContact N-O 2.84Å; D212-M217 PolarHBondContact O-N 2.95Å; D215-M217 WeakPolarHBondContact O-CG 3.32Å; D215-M217 PolarHBondContact O-N 2.87Å; M217-R219 PolarHBondContact O-N 2.82Å
218	C	98.3	Very high	97.7	Very high	49 Å²	49	57.6 Å²	57.6	33%	0.331	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.7	167.2	-176.8	0	0	0	0	109.1	L210 W211 Q220	L210-C218 CarbonylContact O-C 3.56Å; L210-C218 WeakPolarHBondContact O-CA 3.28Å; W211-C218 HydrophobicContact CD2-CB 4.36Å; W211-C218 HydrophobicContact CE3-CB 3.66Å; W211-C218 HydrophobicContact CH2-CB 4.04Å; W211-C218 HydrophobicContact CZ3-CB 3.49Å; W211-C218 VanDerWaalsContact CZ3-CB 3.49Å; C218-Q220 PolarHBondContact SG-O 3.05Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å
219	R	98.3	Very high	97.7	Very high	131 Å²	131	57.7 Å²	57.7	49%	0.494	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-41.4	176.1	-63.6	-61.5	-163.4	178.5	3.1	112.1	L210 D212 D215 M217	L210-R219 HydrophobicContact CD2-CB 4.14Å; L210-R219 HydrophobicContact CG-CB 4.45Å; L210-R219 PolarHBondContact O-N 3.45Å; D212-R219 HydrophobicContact CB-CG 4.03Å; D212-R219 IonicContact OD2-CZ 3.15Å; D212-R219 IonicContact OD2-NE 3.68Å; D212-R219 PolarHBondContact OD2-NE 2.83Å; D212-R219 IonicContact OD2-NH2 3.45Å; D212-R219 PolarHBondContact OD2-NH2 2.53Å; D215-R219 IonicContact OD2-CZ 3.95Å; D215-R219 IonicContact OD2-NH1 3.34Å; D215-R219 IonicContact OD2-NH2 3.38Å; D215-R219 PolarHBondContact OD2-NH2 2.92Å; M217-R219 PolarHBondContact O-N 2.82Å
220	Q	98.6	Very high	97.7	Very high	44 Å²	44	58 Å²	58	21%	0.206	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.2	-174	-65.7	176.7	-68	0	0	110.8	K209 L210 C218 F222 L255 D258	K209-Q220 WeakPolarHBondContact CA-O 3.28Å; L210-Q220 HydrophobicContact CB-CB 4.24Å; L210-Q220 PolarHBondContact N-O 2.9Å; C218-Q220 PolarHBondContact SG-O 3.05Å; C218-Q220 VanDerWaalsContact SG-O 3.35Å; Q220-F222 HydrophobicContact CB-CD2 4.4Å; Q220-F222 HydrophobicContact CB-CE2 3.62Å; Q220-F222 HydrophobicContact CB-CZ 3.83Å; Q220-F222 HydrophobicContact CG-CZ 4.45Å; Q220-L255 PolarHBondContact NE2-O 3.24Å; Q220-L255 PolarHBondContact OE1-O 3.05Å; Q220-D258 PolarHBondContact NE2-OD1 3.06Å
221	T	98.7	Very high	97.7	Very high	42 Å²	42	57.8 Å²	57.8	26%	0.258	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.7	170.6	-61.2	0	0	0	0	108.9	R22 A208 K209 T223	R22-T221 PolarHBondContact NH2-O 2.94Å; A208-T221 CarbonylContact O-C 3.54Å; A208-T221 WeakPolarHBondContact O-CA 3.27Å; K209-T221 HydrophobicContact CG-CG2 4.07Å; K209-T221 PolarHBondContact NZ-OG1 3.5Å; T221-T223 HydrophobicContact CG2-CG2 4.46Å
222	F	98.8	Very high	97.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.3	179.5	-58.5	-91.2	0	0	0	109.1	S207 A208 L210 Q220 F241 F253 L255	S207-F222 WeakPolarHBondContact CA-O 3.38Å; A208-F222 HydrophobicContact CB-CB 4.33Å; A208-F222 PolarHBondContact N-O 3.43Å; A208-F222 PolarHBondContact O-N 2.85Å; L210-F222 HydrophobicContact CB-CE2 4.11Å; Q220-F222 HydrophobicContact CB-CD2 4.4Å; Q220-F222 HydrophobicContact CB-CE2 3.62Å; Q220-F222 HydrophobicContact CB-CZ 3.83Å; Q220-F222 HydrophobicContact CG-CZ 4.45Å; F222-F241 HydrophobicContact CB-CZ 4.07Å; F222-F241 HydrophobicContact CD1-CE1 4.23Å; F222-F241 HydrophobicContact CD1-CZ 4.18Å; F222-F241 AromaticContact CD2-CE1 3.69Å; F222-F241 HydrophobicContact CD2-CE1 3.69Å; F222-F241 AromaticContact CD2-CZ 3.45Å; F222-F241 HydrophobicContact CD2-CZ 3.45Å; F222-F241 VanDerWaalsContact CD2-CZ 3.45Å; F222-F241 HydrophobicContact CE1-CE1 4.14Å; F222-F241 AromaticContact CE2-CE1 3.61Å; F222-F241 HydrophobicContact CE2-CE1 3.61Å; F222-F241 AromaticContact CE2-CZ 3.9Å; F222-F241 HydrophobicContact CE2-CZ 3.9Å; F222-F241 HydrophobicContact CG-CE1 4.02Å; F222-F241 AromaticContact CG-CZ 3.63Å; F222-F241 HydrophobicContact CG-CZ 3.63Å; F222-F241 AromaticContact CZ-CE1 3.86Å; F222-F241 HydrophobicContact CZ-CE1 3.86Å; F222-F241 HydrophobicContact CZ-CZ 4.43Å; F222-F253 HydrophobicContact CB-CD1 3.84Å; F222-F253 HydrophobicContact CB-CE1 3.96Å; F222-F253 HydrophobicContact CB-CG 4.27Å; F222-F253 HydrophobicContact CB-CZ 4.48Å; F222-F253 HydrophobicContact CD1-CB 4.01Å; F222-F253 AromaticContact CD1-CD1 3.75Å; F222-F253 HydrophobicContact CD1-CD1 3.75Å; F222-F253 HydrophobicContact CD1-CG 4.13Å; F222-F253 HydrophobicContact CE1-CB 4.38Å; F222-F253 HydrophobicContact CG-CD1 4.14Å; F222-F253 HydrophobicContact CG-CG 4.38Å; F222-L255 HydrophobicContact CE1-CD2 4.44Å; F222-L255 HydrophobicContact CE2-CD2 3.95Å; F222-L255 HydrophobicContact CZ-CD2 3.53Å
223	T	98.1	Very high	97.7	Very high	82 Å²	82	58 Å²	58	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.4	-179.7	54.8	0	0	0	0	108.6	R22 T221	R22-T223 PolarHBondContact NH1-OG1 2.77Å; R22-T223 VanDerWaalsContact NH1-OG1 3.17Å; T221-T223 HydrophobicContact CG2-CG2 4.46Å
224	G	97.4	Very high	97.8	Very high	33 Å²	33	57.8 Å²	57.8	34%	0.34	30%	0.298	S	S	.	.			trans	163.8	-39.5	174.3	0	0	0	0	0	111.9	R251	G224-R251 PolarHBondContact O-NH1 2.96Å; G224-R251 PolarHBondContact O-NH2 3.1Å
225	H	98.6	Very high	97.9	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.065	26%	0.264	C	S	.	.			trans	-57.7	150	174.9	-80.8	-66.2	0	0	0	112.1	A206 I229 T243 S245 D247 T249 R251	A206-H225 HydrophobicContact CB-CB 4.38Å; H225-I229 HydrophobicContact CB-CD1 4.39Å; H225-I229 HydrophobicContact CB-CG1 4.16Å; H225-T243 WeakPolarHBondContact NE2-CB 3.37Å; H225-T243 PolarHBondContact NE2-OG1 2.9Å; H225-S245 WeakPolarHBondContact CE1-CB 3.32Å; H225-S245 WeakPolarHBondContact ND1-CB 3.43Å; H225-D247 WeakPolarHBondContact CA-OD2 3.5Å; H225-D247 IonicContact CE1-OD1 2.77Å; H225-D247 IonicContact CE1-OD2 3.46Å; H225-D247 IonicContact CG-OD2 3.3Å; H225-D247 IonicContact ND1-OD1 3.63Å; H225-D247 PolarHBondContact ND1-OD1 3.13Å; H225-D247 IonicContact ND1-OD2 3.93Å; H225-D247 PolarHBondContact ND1-OD2 3.33Å; H225-T249 PolarHBondContact CE1-O 3.42Å; H225-T249 PolarHBondContact CE1-OG1 2.82Å; H225-T249 PolarHBondContact ND1-OG1 2.87Å; H225-R251 WeakPolarHBondContact CE1-CD 3.2Å; H225-R251 PolarHBondContact ND1-NE 3.14Å; H225-R251 WeakPolarHBondContact NE2-CD 3.38Å
226	E	98.3	Very high	98.1	Very high	170 Å²	170	46.8 Å²	46.8	79%	0.794	26%	0.257	S	S	*	.	S	Bend	trans	-99.4	-8.8	-179.8	-60.1	-174.8	179.1	0	0	112.7	D247	E226-D247 HydrophobicContact CB-CB 4.06Å; E226-D247 PolarHBondContact N-OD2 3.28Å
227	S	98.6	Very high	98.3	Very high	42 Å²	42	49.5 Å²	49.5	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-150.2	-169.3	-178.7	-162.8	0	0	0	0	111.1	A206 S245	A206-S227 WeakPolarHBondContact CA-O 3.24Å; A206-S227 VanDerWaalsContact CB-O 3.25Å; A206-S227 WeakPolarHBondContact CB-O 3.17Å; S227-S245 PolarHBondContact O-OG 2.83Å
228	D	98.7	Very high	98.4	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	25%	0.249	S	C	.	.			trans	-60	136.7	-171.3	-63.4	0.4	0	0	0	111.5	C204 S245 D246	C204-D228 WeakPolarHBondContact CA-OD1 3.13Å; C204-D228 HydrophobicContact CB-CB 4.35Å; C204-D228 VanDerWaalsContact SG-CG 3.52Å; C204-D228 PolarHBondContact SG-OD2 3.02Å; D228-S245 CarbonylContact O-C 3.57Å; D228-S245 WeakPolarHBondContact O-CA 3.5Å; D228-S245 WeakPolarHBondContact O-CB 3.4Å; D228-S245 PolarHBondContact O-OG 2.76Å; D228-D246 PolarHBondContact O-N 2.91Å
229	I	98.9	Very high	98.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	101.1	174.3	-59.2	178.5	0	0	0	108.7	M188 G202 A203 S207 A208 H225 T243	M188-I229 WeakPolarHBondContact CB-O 3.27Å; G202-I229 CarbonylContact C-O 3.57Å; A203-I229 PolarHBondContact O-N 2.8Å; S207-I229 VanDerWaalsContact C-CD1 3.45Å; A208-I229 HydrophobicContact CB-CD1 4.12Å; H225-I229 HydrophobicContact CB-CD1 4.39Å; H225-I229 HydrophobicContact CB-CG1 4.16Å; I229-T243 HydrophobicContact CG2-CG2 3.9Å
230	N	98.8	Very high	98.4	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-26.9	-177	-64.2	-41	0	0	0	113.5	S189 G244 D246 I273	S189-N230 WeakPolarHBondContact CB-O 3.46Å; N230-G244 PolarHBondContact N-O 3.35Å; N230-D246 VanDerWaalsContact ND2-CG 3.33Å; N230-D246 PolarHBondContact ND2-OD1 2.86Å; N230-I273 VanDerWaalsContact CB-O 3.27Å; N230-I273 WeakPolarHBondContact CB-O 3.06Å; N230-I273 PolarHBondContact ND2-O 2.92Å
231	A	98.7	Very high	98.4	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.3	-173.5	0	0	0	0	0	112.3	S189 T243 G244 V276	S189-A231 VanDerWaalsContact OG-C 3.29Å; S189-A231 WeakPolarHBondContact OG-CA 3.47Å; A231-T243 CarbonylContact O-C 3.55Å; A231-T243 WeakPolarHBondContact O-CA 3.22Å; A231-G244 PolarHBondContact N-O 3.06Å; A231-G244 PolarHBondContact O-N 2.97Å; A231-V276 HydrophobicContact CB-CG2 3.93Å
232	S	98.6	Very high	98.5	Very high	13 Å²	13	34.1 Å²	34.1	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.3	172.1	69.1	0	0	0	0	110.7	S189 A242	S189-S232 PolarHBondContact OG-N 3.43Å; S189-S232 VanDerWaalsContact OG-N 3.14Å; S189-S232 PolarHBondContact OG-OG 3.3Å; S232-A242 CarbonylContact C-O 3.5Å; S232-A242 VanDerWaalsContact CA-O 3.32Å; S232-A242 WeakPolarHBondContact CA-O 3.32Å
233	C	98.8	Very high	98.5	Very high	23 Å²	23	34 Å²	34	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	126.1	177.5	-179.7	0	0	0	0	110.4	F241 A242 V276	C233-F241 CarbonylContact O-C 3.6Å; C233-F241 VanDerWaalsContact O-CA 3.3Å; C233-F241 WeakPolarHBondContact O-CA 3.23Å; C233-F241 WeakPolarHBondContact O-CB 3.29Å; C233-A242 PolarHBondContact N-O 3.5Å; C233-A242 PolarHBondContact O-N 3.49Å; C233-V276 HydrophobicContact CB-CG2 3.89Å
234	F	98.8	Very high	98.5	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141.2	172.5	-96.3	-81.1	0	0	0	111.9	S191 L192 S193 V200 L210 A240 F241 L255	S191-F234 WeakPolarHBondContact O-CD2 3.27Å; S191-F234 WeakPolarHBondContact O-CE2 3.1Å; S191-F234 PolarHBondContact OG-N 2.89Å; L192-F234 WeakPolarHBondContact O-CD2 3.22Å; S193-F234 VanDerWaalsContact N-CE2 3.33Å; V200-F234 HydrophobicContact CB-CE2 4.16Å; V200-F234 HydrophobicContact CG1-CE1 4.39Å; V200-F234 HydrophobicContact CG1-CE2 3.8Å; V200-F234 HydrophobicContact CG1-CZ 3.66Å; V200-F234 HydrophobicContact CG2-CD2 3.87Å; V200-F234 HydrophobicContact CG2-CE2 3.69Å; V200-F234 HydrophobicContact CG2-CZ 4.36Å; L210-F234 HydrophobicContact CD1-CZ 4.03Å; F234-A240 WeakPolarHBondContact CD1-O 3.46Å; F234-F241 HydrophobicContact CD1-CB 4.38Å; F234-L255 HydrophobicContact CE1-CD1 4.23Å
235	F	98.7	Very high	98.6	Very high	26 Å²	26	28.6 Å²	28.6	11%	0.114	16%	0.163	C	C	.	.			trans	-68.6	147.2	166.1	-170.1	-92.2	0	0	0	109.6	N237 G238 A240 F278 G282	F235-N237 HydrophobicContact CD1-CB 4.19Å; F235-N237 VanDerWaalsContact CD1-OD1 3.28Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.18Å; F235-N237 HydrophobicContact CE1-CB 4.38Å; F235-N237 PolarHBondContact O-N 3.01Å; F235-G238 PolarHBondContact O-N 3.04Å; F235-A240 HydrophobicContact CB-CB 3.85Å; F235-A240 WeakPolarHBondContact CB-O 3.5Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 2.94Å; F235-F278 HydrophobicContact CB-CD2 4.39Å; F235-F278 HydrophobicContact CB-CE2 4.12Å; F235-F278 AromaticContact CD2-CD1 3.93Å; F235-F278 HydrophobicContact CD2-CD1 3.93Å; F235-F278 HydrophobicContact CD2-CD2 4.16Å; F235-F278 AromaticContact CD2-CE1 3.69Å; F235-F278 HydrophobicContact CD2-CE1 3.69Å; F235-F278 AromaticContact CD2-CE2 3.92Å; F235-F278 HydrophobicContact CD2-CE2 3.92Å; F235-F278 HydrophobicContact CD2-CG 4.15Å; F235-F278 AromaticContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CE2-CD1 4.19Å; F235-F278 HydrophobicContact CE2-CE1 4.05Å; F235-F278 HydrophobicContact CE2-CZ 4.47Å; F235-G282 VanDerWaalsContact CE2-CA 3.46Å; F235-G282 WeakPolarHBondContact CE2-O 3.38Å
236	P	98	Very high	98.6	Very high	45 Å²	45	31.1 Å²	31.1	29%	0.292	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.1	-171.4	-30.6	36.3	0	0	0	116.7	F278	P236-F278 HydrophobicContact CG-CB 4.32Å
237	N	97.4	Very high	98.6	Very high	99 Å²	99	24.4 Å²	24.4	53%	0.529	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.2	178.1	75.1	5.2	0	0	0	114.2	F235 S239	F235-N237 HydrophobicContact CD1-CB 4.19Å; F235-N237 VanDerWaalsContact CD1-OD1 3.28Å; F235-N237 WeakPolarHBondContact CD1-OD1 3.18Å; F235-N237 HydrophobicContact CE1-CB 4.38Å; F235-N237 PolarHBondContact O-N 3.01Å; N237-S239 VanDerWaalsContact C-N 3.26Å; N237-S239 PolarHBondContact O-N 3.14Å; N237-S239 WeakPolarHBondContact OD1-CB 3.31Å; N237-S239 PolarHBondContact OD1-N 3.04Å
238	G	97.9	Very high	98.6	Very high	18 Å²	18	22.8 Å²	22.8	19%	0.186	14%	0.136	C	C	.	.	S	Bend	trans	74.7	0.4	-179.7	0	0	0	0	0	116.3	F235 L255	F235-G238 PolarHBondContact O-N 3.04Å; G238-L255 WeakPolarHBondContact O-CD1 3.46Å
239	S	98.2	Very high	98.6	Very high	40 Å²	40	21.2 Å²	21.2	28%	0.28	13%	0.128	S	C	.	.	S	Bend	trans	-93.7	-8.2	-178.9	-57.2	0	0	0	0	113.9	N237 L255	N237-S239 VanDerWaalsContact C-N 3.26Å; N237-S239 PolarHBondContact O-N 3.14Å; N237-S239 WeakPolarHBondContact OD1-CB 3.31Å; N237-S239 PolarHBondContact OD1-N 3.04Å; S239-L255 WeakPolarHBondContact O-CG 3.29Å; S239-L255 PolarHBondContact O-N 2.71Å
240	A	98.7	Very high	98.6	Very high	7 Å²	7	21.1 Å²	21.1	6%	0.058	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	167	-179	0	0	0	0	0	110.1	F234 F235 L252 F253	F234-A240 WeakPolarHBondContact CD1-O 3.46Å; F235-A240 HydrophobicContact CB-CB 3.85Å; F235-A240 WeakPolarHBondContact CB-O 3.5Å; F235-A240 HydrophobicContact CG-CB 4.34Å; F235-A240 PolarHBondContact N-O 2.94Å; A240-L252 HydrophobicContact CB-CD1 3.92Å; A240-F253 CarbonylContact C-O 3.55Å; A240-F253 WeakPolarHBondContact CA-O 3.45Å; A240-F253 WeakPolarHBondContact CB-O 3.48Å
241	F	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.1	173.5	67	-83.7	0	0	0	110.7	V200 A208 F222 C233 F234 T243 L252 F253 L255	V200-F241 HydrophobicContact CB-CD2 4.49Å; V200-F241 HydrophobicContact CG1-CD1 3.96Å; V200-F241 HydrophobicContact CG1-CD2 4.45Å; V200-F241 HydrophobicContact CG1-CE1 4.19Å; V200-F241 HydrophobicContact CG1-CG 4.09Å; V200-F241 HydrophobicContact CG2-CB 4.27Å; V200-F241 HydrophobicContact CG2-CD2 4.22Å; V200-F241 HydrophobicContact CG2-CG 4.23Å; A208-F241 HydrophobicContact CB-CE2 3.72Å; A208-F241 HydrophobicContact CB-CZ 4Å; F222-F241 HydrophobicContact CB-CZ 4.07Å; F222-F241 HydrophobicContact CD1-CE1 4.23Å; F222-F241 HydrophobicContact CD1-CZ 4.18Å; F222-F241 AromaticContact CD2-CE1 3.69Å; F222-F241 HydrophobicContact CD2-CE1 3.69Å; F222-F241 AromaticContact CD2-CZ 3.45Å; F222-F241 HydrophobicContact CD2-CZ 3.45Å; F222-F241 VanDerWaalsContact CD2-CZ 3.45Å; F222-F241 HydrophobicContact CE1-CE1 4.14Å; F222-F241 AromaticContact CE2-CE1 3.61Å; F222-F241 HydrophobicContact CE2-CE1 3.61Å; F222-F241 AromaticContact CE2-CZ 3.9Å; F222-F241 HydrophobicContact CE2-CZ 3.9Å; F222-F241 HydrophobicContact CG-CE1 4.02Å; F222-F241 AromaticContact CG-CZ 3.63Å; F222-F241 HydrophobicContact CG-CZ 3.63Å; F222-F241 AromaticContact CZ-CE1 3.86Å; F222-F241 HydrophobicContact CZ-CE1 3.86Å; F222-F241 HydrophobicContact CZ-CZ 4.43Å; C233-F241 CarbonylContact O-C 3.6Å; C233-F241 VanDerWaalsContact O-CA 3.3Å; C233-F241 WeakPolarHBondContact O-CA 3.23Å; C233-F241 WeakPolarHBondContact O-CB 3.29Å; F234-F241 HydrophobicContact CD1-CB 4.38Å; F241-T243 HydrophobicContact CD2-CG2 3.96Å; F241-T243 HydrophobicContact CE2-CG2 3.71Å; F241-L252 WeakPolarHBondContact O-CD1 3.42Å; F241-F253 HydrophobicContact CD1-CB 4.03Å; F241-F253 HydrophobicContact CD2-CD2 4.39Å; F241-F253 HydrophobicContact CE1-CB 3.5Å; F241-F253 VanDerWaalsContact CE1-CB 3.5Å; F241-F253 HydrophobicContact CE1-CG 4.3Å; F241-F253 HydrophobicContact CE2-CB 4.03Å; F241-F253 AromaticContact CE2-CD2 3.69Å; F241-F253 HydrophobicContact CE2-CD2 3.69Å; F241-F253 HydrophobicContact CE2-CG 4.12Å; F241-F253 HydrophobicContact CZ-CB 3.5Å; F241-F253 VanDerWaalsContact CZ-CB 3.5Å; F241-F253 AromaticContact CZ-CD2 3.85Å; F241-F253 HydrophobicContact CZ-CD2 3.85Å; F241-F253 AromaticContact CZ-CG 3.79Å; F241-F253 HydrophobicContact CZ-CG 3.79Å; F241-F253 PolarHBondContact N-O 3.48Å; F241-F253 PolarHBondContact O-N 3.29Å; F241-L255 HydrophobicContact CD1-CD2 3.73Å; F241-L255 HydrophobicContact CE1-CD2 3.7Å
242	A	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152	172.9	0	0	0	0	0	111.6	S232 C233 R251 F278 L285	S232-A242 CarbonylContact C-O 3.5Å; S232-A242 VanDerWaalsContact CA-O 3.32Å; S232-A242 WeakPolarHBondContact CA-O 3.32Å; C233-A242 PolarHBondContact N-O 3.5Å; C233-A242 PolarHBondContact O-N 3.49Å; A242-R251 CarbonylContact C-O 3.58Å; A242-R251 WeakPolarHBondContact CA-O 3.47Å; A242-F278 HydrophobicContact CB-CE2 3.46Å; A242-F278 VanDerWaalsContact CB-CE2 3.46Å; A242-F278 HydrophobicContact CB-CZ 3.58Å; A242-L285 HydrophobicContact CB-CD1 3.79Å; A242-L285 HydrophobicContact CB-CD2 4.22Å
243	T	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155	173.1	49.8	0	0	0	0	110.8	A208 H225 I229 A231 F241 C250 R251 F253	A208-T243 HydrophobicContact CB-CG2 4.2Å; H225-T243 WeakPolarHBondContact NE2-CB 3.37Å; H225-T243 PolarHBondContact NE2-OG1 2.9Å; I229-T243 HydrophobicContact CG2-CG2 3.9Å; A231-T243 CarbonylContact O-C 3.55Å; A231-T243 WeakPolarHBondContact O-CA 3.22Å; F241-T243 HydrophobicContact CD2-CG2 3.96Å; F241-T243 HydrophobicContact CE2-CG2 3.71Å; T243-C250 CarbonylContact O-C 3.55Å; T243-C250 WeakPolarHBondContact O-CA 3.46Å; T243-C250 WeakPolarHBondContact O-CB 3.19Å; T243-R251 PolarHBondContact N-O 2.9Å; T243-R251 PolarHBondContact O-N 2.75Å; T243-R251 PolarHBondContact OG1-O 2.96Å; T243-F253 HydrophobicContact CG2-CD2 4.41Å; T243-F253 HydrophobicContact CG2-CE2 4.3Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.37Å
244	G	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.3	169.6	0	0	0	0	0	110.1	N230 A231	N230-G244 PolarHBondContact N-O 3.35Å; A231-G244 PolarHBondContact N-O 3.06Å; A231-G244 PolarHBondContact O-N 2.97Å
245	S	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.8	-170.2	174.9	0	0	0	0	113.2	H225 S227 D228 D247 A248 T249 I273	H225-S245 WeakPolarHBondContact CE1-CB 3.32Å; H225-S245 WeakPolarHBondContact ND1-CB 3.43Å; S227-S245 PolarHBondContact O-OG 2.83Å; D228-S245 CarbonylContact O-C 3.57Å; D228-S245 WeakPolarHBondContact O-CA 3.5Å; D228-S245 WeakPolarHBondContact O-CB 3.4Å; D228-S245 PolarHBondContact O-OG 2.76Å; S245-D247 WeakPolarHBondContact CB-OD1 3.2Å; S245-D247 PolarHBondContact O-N 3.41Å; S245-D247 PolarHBondContact OG-N 3.17Å; S245-D247 PolarHBondContact OG-OD1 3.41Å; S245-A248 PolarHBondContact O-N 2.97Å; S245-T249 PolarHBondContact N-O 2.8Å; S245-I273 PolarHBondContact O-N 2.8Å
246	D	98.7	Very high	98.5	Very high	67 Å²	67	29.3 Å²	29.3	36%	0.358	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-11.1	167.6	-80.5	-13.5	0	0	0	113.6	D228 N230 A248	D228-D246 PolarHBondContact O-N 2.91Å; N230-D246 VanDerWaalsContact ND2-CG 3.33Å; N230-D246 PolarHBondContact ND2-OD1 2.86Å; D246-A248 PolarHBondContact O-N 2.6Å; D246-A248 VanDerWaalsContact O-N 3.13Å
247	D	98.4	Very high	98.5	Very high	30 Å²	30	28.8 Å²	28.8	16%	0.16	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	8.9	168.9	75.2	8.3	0	0	0	113.9	H225 E226 S245 T249 R251	H225-D247 WeakPolarHBondContact CA-OD2 3.5Å; H225-D247 IonicContact CE1-OD1 2.77Å; H225-D247 IonicContact CE1-OD2 3.46Å; H225-D247 IonicContact CG-OD2 3.3Å; H225-D247 IonicContact ND1-OD1 3.63Å; H225-D247 PolarHBondContact ND1-OD1 3.13Å; H225-D247 IonicContact ND1-OD2 3.93Å; H225-D247 PolarHBondContact ND1-OD2 3.33Å; E226-D247 HydrophobicContact CB-CB 4.06Å; E226-D247 PolarHBondContact N-OD2 3.28Å; S245-D247 WeakPolarHBondContact CB-OD1 3.2Å; S245-D247 PolarHBondContact O-N 3.41Å; S245-D247 PolarHBondContact OG-N 3.17Å; S245-D247 PolarHBondContact OG-OD1 3.41Å; D247-T249 VanDerWaalsContact CG-OG1 3.29Å; D247-T249 PolarHBondContact O-N 3.17Å; D247-T249 WeakPolarHBondContact OD1-CA 3.25Å; D247-T249 VanDerWaalsContact OD1-CB 3.32Å; D247-T249 WeakPolarHBondContact OD1-CB 3.33Å; D247-T249 PolarHBondContact OD1-N 3.23Å; D247-T249 PolarHBondContact OD1-OG1 3.48Å; D247-T249 PolarHBondContact OD2-OG1 3.33Å; D247-R251 IonicContact OD2-NE 2.79Å; D247-R251 IonicContact OD2-NH2 3.62Å; D247-R251 PolarHBondContact OD2-NH2 2.91Å
248	A	98.4	Very high	98.6	Very high	8 Å²	8	25.9 Å²	25.9	7%	0.066	14%	0.136	C	C	.	.	S	Bend	trans	62.9	11.1	-178.1	0	0	0	0	0	115.2	S245 D246 I269 C271	S245-A248 PolarHBondContact O-N 2.97Å; D246-A248 PolarHBondContact O-N 2.6Å; D246-A248 VanDerWaalsContact O-N 3.13Å; A248-I269 WeakPolarHBondContact CB-O 3.39Å; A248-C271 WeakPolarHBondContact CA-O 3.47Å; A248-C271 VanDerWaalsContact CB-O 3.29Å; A248-C271 WeakPolarHBondContact CB-O 3.49Å
249	T	98.6	Very high	98.5	Very high	18 Å²	18	27 Å²	27	11%	0.11	14%	0.137	C	C	.	.			trans	-108	141.9	177.4	75.9	0	0	0	0	112.5	H225 S245 D247 R251 I263 C265 I273	H225-T249 PolarHBondContact CE1-O 3.42Å; H225-T249 PolarHBondContact CE1-OG1 2.82Å; H225-T249 PolarHBondContact ND1-OG1 2.87Å; S245-T249 PolarHBondContact N-O 2.8Å; D247-T249 VanDerWaalsContact CG-OG1 3.29Å; D247-T249 PolarHBondContact O-N 3.17Å; D247-T249 WeakPolarHBondContact OD1-CA 3.25Å; D247-T249 VanDerWaalsContact OD1-CB 3.32Å; D247-T249 WeakPolarHBondContact OD1-CB 3.33Å; D247-T249 PolarHBondContact OD1-N 3.23Å; D247-T249 PolarHBondContact OD1-OG1 3.48Å; D247-T249 PolarHBondContact OD2-OG1 3.33Å; T249-R251 PolarHBondContact OG1-NE 2.8Å; T249-I263 HydrophobicContact CG2-CG2 3.93Å; T249-C265 HydrophobicContact CG2-CB 3.96Å; T249-I273 WeakPolarHBondContact O-CD1 3.47Å
250	C	98.8	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.4	155.2	-57.7	0	0	0	0	108.9	T243 Y264 I273 L285 A287	T243-C250 CarbonylContact O-C 3.55Å; T243-C250 WeakPolarHBondContact O-CA 3.46Å; T243-C250 WeakPolarHBondContact O-CB 3.19Å; C250-Y264 HydrophobicContact CB-CD2 3.88Å; C250-Y264 HydrophobicContact CB-CG 4.43Å; C250-Y264 PolarHBondContact N-O 3.45Å; C250-Y264 WeakPolarHBondContact O-CD2 3.14Å; C250-Y264 PolarHBondContact O-N 2.85Å; C250-I273 WeakPolarHBondContact SG-CD1 3.14Å; C250-L285 HydrophobicContact CB-CD2 3.9Å; C250-A287 WeakPolarHBondContact SG-CB 3.13Å
251	R	98.8	Very high	98.5	Very high	20 Å²	20	30.2 Å²	30.2	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.5	175.3	-67.8	172.6	-172.7	-133	15.6	110.4	G224 H225 A242 T243 D247 T249 F253 E260 S262 I263	G224-R251 PolarHBondContact O-NH1 2.96Å; G224-R251 PolarHBondContact O-NH2 3.1Å; H225-R251 WeakPolarHBondContact CE1-CD 3.2Å; H225-R251 PolarHBondContact ND1-NE 3.14Å; H225-R251 WeakPolarHBondContact NE2-CD 3.38Å; A242-R251 CarbonylContact C-O 3.58Å; A242-R251 WeakPolarHBondContact CA-O 3.47Å; T243-R251 PolarHBondContact N-O 2.9Å; T243-R251 PolarHBondContact O-N 2.75Å; T243-R251 PolarHBondContact OG1-O 2.96Å; D247-R251 IonicContact OD2-NE 2.79Å; D247-R251 IonicContact OD2-NH2 3.62Å; D247-R251 PolarHBondContact OD2-NH2 2.91Å; T249-R251 PolarHBondContact OG1-NE 2.8Å; R251-F253 HydrophobicContact CB-CD2 4.26Å; R251-F253 HydrophobicContact CB-CE2 3.57Å; R251-F253 HydrophobicContact CB-CZ 4.02Å; R251-E260 HydrophobicContact CB-CG 4.3Å; R251-E260 WeakPolarHBondContact CD-OE2 3.3Å; R251-E260 WeakPolarHBondContact CG-OE2 3.15Å; R251-E260 IonicContact CZ-OE2 3.08Å; R251-E260 IonicContact NE-OE2 3.92Å; R251-E260 IonicContact NH1-OE2 2.7Å; R251-E260 PolarHBondContact NH1-OE2 3.01Å; R251-S262 WeakPolarHBondContact CA-O 3.37Å; R251-I263 HydrophobicContact CG-CG1 4.36Å; R251-I263 HydrophobicContact CG-CG2 4.45Å
252	L	98.8	Very high	98.4	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.047	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.4	171.8	174.1	59.8	0	0	0	108.4	L30 A240 F241 E260 L261 S262 Y264 F278	L30-L252 HydrophobicContact CD2-CD2 3.88Å; A240-L252 HydrophobicContact CB-CD1 3.92Å; F241-L252 WeakPolarHBondContact O-CD1 3.42Å; L252-E260 CarbonylContact O-C 3.54Å; L252-E260 WeakPolarHBondContact O-CA 3.48Å; L252-L261 HydrophobicContact CD2-CB 4.45Å; L252-L261 HydrophobicContact CD2-CD1 4.46Å; L252-L261 HydrophobicContact CG-CB 4.31Å; L252-L261 PolarHBondContact O-N 2.82Å; L252-S262 PolarHBondContact N-O 3.24Å; L252-S262 PolarHBondContact O-N 2.86Å; L252-Y264 HydrophobicContact CB-CE2 3.92Å; L252-F278 HydrophobicContact CD1-CZ 4.01Å
253	F	98.8	Very high	98.4	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.6	177.3	-67.2	-85.8	0	0	0	110.5	F222 A240 F241 T243 R251 E260	F222-F253 HydrophobicContact CB-CD1 3.84Å; F222-F253 HydrophobicContact CB-CE1 3.96Å; F222-F253 HydrophobicContact CB-CG 4.27Å; F222-F253 HydrophobicContact CB-CZ 4.48Å; F222-F253 HydrophobicContact CD1-CB 4.01Å; F222-F253 AromaticContact CD1-CD1 3.75Å; F222-F253 HydrophobicContact CD1-CD1 3.75Å; F222-F253 HydrophobicContact CD1-CG 4.13Å; F222-F253 HydrophobicContact CE1-CB 4.38Å; F222-F253 HydrophobicContact CG-CD1 4.14Å; F222-F253 HydrophobicContact CG-CG 4.38Å; A240-F253 CarbonylContact C-O 3.55Å; A240-F253 WeakPolarHBondContact CA-O 3.45Å; A240-F253 WeakPolarHBondContact CB-O 3.48Å; F241-F253 HydrophobicContact CD1-CB 4.03Å; F241-F253 HydrophobicContact CD2-CD2 4.39Å; F241-F253 HydrophobicContact CE1-CB 3.5Å; F241-F253 VanDerWaalsContact CE1-CB 3.5Å; F241-F253 HydrophobicContact CE1-CG 4.3Å; F241-F253 HydrophobicContact CE2-CB 4.03Å; F241-F253 AromaticContact CE2-CD2 3.69Å; F241-F253 HydrophobicContact CE2-CD2 3.69Å; F241-F253 HydrophobicContact CE2-CG 4.12Å; F241-F253 HydrophobicContact CZ-CB 3.5Å; F241-F253 VanDerWaalsContact CZ-CB 3.5Å; F241-F253 AromaticContact CZ-CD2 3.85Å; F241-F253 HydrophobicContact CZ-CD2 3.85Å; F241-F253 AromaticContact CZ-CG 3.79Å; F241-F253 HydrophobicContact CZ-CG 3.79Å; F241-F253 PolarHBondContact N-O 3.48Å; F241-F253 PolarHBondContact O-N 3.29Å; T243-F253 HydrophobicContact CG2-CD2 4.41Å; T243-F253 HydrophobicContact CG2-CE2 4.3Å; T243-F253 WeakPolarHBondContact OG1-CE2 3.37Å; R251-F253 HydrophobicContact CB-CD2 4.26Å; R251-F253 HydrophobicContact CB-CE2 3.57Å; R251-F253 HydrophobicContact CB-CZ 4.02Å; F253-E260 HydrophobicContact CD1-CB 3.93Å; F253-E260 HydrophobicContact CE1-CB 3.72Å; F253-E260 HydrophobicContact CE1-CG 4.36Å; F253-E260 HydrophobicContact CZ-CB 4.4Å
254	D	98.6	Very high	98.3	Very high	21 Å²	21	34 Å²	34	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.5	171.6	-179.4	-71.3	0	0	0	110.3	R256 A257 D258 Q259 L261	D254-R256 VanDerWaalsContact C-N 3.33Å; D254-R256 PolarHBondContact O-N 3.44Å; D254-R256 WeakPolarHBondContact OD1-CA 3.21Å; D254-R256 WeakPolarHBondContact OD1-CB 3.34Å; D254-R256 PolarHBondContact OD1-N 2.83Å; D254-R256 IonicContact OD2-NH2 3.96Å; D254-A257 HydrophobicContact CB-CB 3.96Å; D254-A257 PolarHBondContact OD1-N 3.07Å; D254-D258 PolarHBondContact O-N 3Å; D254-Q259 PolarHBondContact N-O 2.6Å; D254-Q259 VanDerWaalsContact N-O 3.09Å; D254-L261 HydrophobicContact CB-CD1 3.62Å; D254-L261 HydrophobicContact CB-CD2 3.99Å; D254-L261 HydrophobicContact CB-CG 3.69Å
255	L	98.6	Very high	98.2	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.131	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.9	-174.8	-60.5	-174.5	0	0	0	112.4	L210 Q220 F222 F234 G238 S239 F241	L210-L255 HydrophobicContact CD1-CD1 4.38Å; L210-L255 HydrophobicContact CD1-CD2 4.39Å; L210-L255 HydrophobicContact CD2-CD1 4.21Å; L210-L255 HydrophobicContact CD2-CD2 4.12Å; Q220-L255 PolarHBondContact NE2-O 3.24Å; Q220-L255 PolarHBondContact OE1-O 3.05Å; F222-L255 HydrophobicContact CE1-CD2 4.44Å; F222-L255 HydrophobicContact CE2-CD2 3.95Å; F222-L255 HydrophobicContact CZ-CD2 3.53Å; F234-L255 HydrophobicContact CE1-CD1 4.23Å; G238-L255 WeakPolarHBondContact O-CD1 3.46Å; S239-L255 WeakPolarHBondContact O-CG 3.29Å; S239-L255 PolarHBondContact O-N 2.71Å; F241-L255 HydrophobicContact CD1-CD2 3.73Å; F241-L255 HydrophobicContact CE1-CD2 3.7Å
256	R	98.3	Very high	97.9	Very high	206 Å²	206	40.7 Å²	40.7	78%	0.777	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.3	-178.1	-58.7	175.9	-63.1	165.4	3.7	111.6	D254	D254-R256 VanDerWaalsContact C-N 3.33Å; D254-R256 PolarHBondContact O-N 3.44Å; D254-R256 WeakPolarHBondContact OD1-CA 3.21Å; D254-R256 WeakPolarHBondContact OD1-CB 3.34Å; D254-R256 PolarHBondContact OD1-N 2.83Å; D254-R256 IonicContact OD2-NH2 3.96Å
257	A	97.6	Very high	97.3	Very high	34 Å²	34	44.8 Å²	44.8	28%	0.281	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19	172.8	0	0	0	0	0	112.5	D254 Q259 L261	D254-A257 HydrophobicContact CB-CB 3.96Å; D254-A257 PolarHBondContact OD1-N 3.07Å; A257-Q259 HydrophobicContact CB-CG 4.04Å; A257-Q259 WeakPolarHBondContact O-CG 3.46Å; A257-Q259 PolarHBondContact O-N 2.88Å; A257-Q259 VanDerWaalsContact O-N 3.17Å; A257-L261 HydrophobicContact CB-CD2 4.46Å
258	D	98.4	Very high	96.9	Very high	39 Å²	39	49.9 Å²	49.9	21%	0.209	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	25.3	-174.5	-167.3	62.5	0	0	0	113	R22 Q220 D254	R22-D258 WeakPolarHBondContact CD-O 3.1Å; R22-D258 VanDerWaalsContact CZ-O 3.25Å; R22-D258 IonicContact CZ-OD2 3.25Å; R22-D258 VanDerWaalsContact CZ-OD2 3.25Å; R22-D258 PolarHBondContact NE-O 2.97Å; R22-D258 IonicContact NE-OD2 2.85Å; R22-D258 PolarHBondContact NE-OD2 3.29Å; R22-D258 PolarHBondContact NH2-O 2.89Å; R22-D258 IonicContact NH2-OD1 3.67Å; R22-D258 IonicContact NH2-OD2 2.78Å; R22-D258 PolarHBondContact NH2-OD2 3.34Å; Q220-D258 PolarHBondContact NE2-OD1 3.06Å; D254-D258 PolarHBondContact O-N 3Å
259	Q	97.3	Very high	96.6	Very high	42 Å²	42	50.2 Å²	50.2	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	173.3	-175.7	69.3	-171.4	-51.4	0	0	112.3	R22 D254 A257	R22-Q259 HydrophobicContact CG-CB 4.35Å; R22-Q259 PolarHBondContact O-NE2 3.47Å; R22-Q259 PolarHBondContact O-OE1 3.2Å; D254-Q259 PolarHBondContact N-O 2.6Å; D254-Q259 VanDerWaalsContact N-O 3.09Å; A257-Q259 HydrophobicContact CB-CG 4.04Å; A257-Q259 WeakPolarHBondContact O-CG 3.46Å; A257-Q259 PolarHBondContact O-N 2.88Å; A257-Q259 VanDerWaalsContact O-N 3.17Å
260	E	97.8	Very high	96.4	Very high	56 Å²	56	56.6 Å²	56.6	26%	0.262	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.1	176.1	-173.8	-167	97.1	0	0	111.2	R251 L252 F253 I263	R251-E260 HydrophobicContact CB-CG 4.3Å; R251-E260 WeakPolarHBondContact CD-OE2 3.3Å; R251-E260 WeakPolarHBondContact CG-OE2 3.15Å; R251-E260 IonicContact CZ-OE2 3.08Å; R251-E260 IonicContact NE-OE2 3.92Å; R251-E260 IonicContact NH1-OE2 2.7Å; R251-E260 PolarHBondContact NH1-OE2 3.01Å; L252-E260 CarbonylContact O-C 3.54Å; L252-E260 WeakPolarHBondContact O-CA 3.48Å; F253-E260 HydrophobicContact CD1-CB 3.93Å; F253-E260 HydrophobicContact CE1-CB 3.72Å; F253-E260 HydrophobicContact CE1-CG 4.36Å; F253-E260 HydrophobicContact CZ-CB 4.4Å; E260-I263 VanDerWaalsContact CD-CG1 3.4Å; E260-I263 VanDerWaalsContact OE1-CD1 3.29Å; E260-I263 WeakPolarHBondContact OE1-CD1 3.47Å; E260-I263 WeakPolarHBondContact OE1-CG1 3.45Å
261	L	97.6	Very high	96.3	Very high	57 Å²	57	57.9 Å²	57.9	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-31.2	172	-66.3	-171	0	0	0	113.3	L30 L252 D254 A257	L30-L261 HydrophobicContact CB-CB 4.48Å; L252-L261 HydrophobicContact CD2-CB 4.45Å; L252-L261 HydrophobicContact CD2-CD1 4.46Å; L252-L261 HydrophobicContact CG-CB 4.31Å; L252-L261 PolarHBondContact O-N 2.82Å; D254-L261 HydrophobicContact CB-CD1 3.62Å; D254-L261 HydrophobicContact CB-CD2 3.99Å; D254-L261 HydrophobicContact CB-CG 3.69Å; A257-L261 HydrophobicContact CB-CD2 4.46Å
262	S	97.5	Very high	96.2	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	149.6	-176	-72.8	0	0	0	0	112.9	L30 R251 L252	L30-S262 WeakPolarHBondContact CB-OG 3.12Å; L30-S262 WeakPolarHBondContact CD2-OG 3.41Å; R251-S262 WeakPolarHBondContact CA-O 3.37Å; L252-S262 PolarHBondContact N-O 3.24Å; L252-S262 PolarHBondContact O-N 2.86Å
263	I	98	Very high	96.2	Very high	72 Å²	72	56.8 Å²	56.8	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.2	169.2	-49.4	-177	0	0	0	108	T249 R251 E260 C265	T249-I263 HydrophobicContact CG2-CG2 3.93Å; R251-I263 HydrophobicContact CG-CG1 4.36Å; R251-I263 HydrophobicContact CG-CG2 4.45Å; E260-I263 VanDerWaalsContact CD-CG1 3.4Å; E260-I263 VanDerWaalsContact OE1-CD1 3.29Å; E260-I263 WeakPolarHBondContact OE1-CD1 3.47Å; E260-I263 WeakPolarHBondContact OE1-CG1 3.45Å; I263-C265 HydrophobicContact CG2-CB 4.33Å
264	Y	98.1	Very high	96.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.8	172.6	-46.6	-89.1	0	0	0	108.2	C250 L252 L285 W297 A299	C250-Y264 HydrophobicContact CB-CD2 3.88Å; C250-Y264 HydrophobicContact CB-CG 4.43Å; C250-Y264 PolarHBondContact N-O 3.45Å; C250-Y264 WeakPolarHBondContact O-CD2 3.14Å; C250-Y264 PolarHBondContact O-N 2.85Å; L252-Y264 HydrophobicContact CB-CE2 3.92Å; Y264-L285 HydrophobicContact CD2-CD2 3.59Å; Y264-L285 HydrophobicContact CE2-CD2 3.59Å; Y264-L285 HydrophobicContact CG-CD2 4.19Å; Y264-W297 HydrophobicContact CD1-CB 3.85Å; Y264-W297 HydrophobicContact CD1-CD2 4.47Å; Y264-W297 HydrophobicContact CD1-CE3 4.45Å; Y264-W297 HydrophobicContact CD1-CG 4.25Å; Y264-W297 HydrophobicContact CE1-CB 4.45Å; Y264-W297 HydrophobicContact CG-CB 4.32Å; Y264-W297 HydrophobicContact CG-CD2 4.47Å; Y264-W297 HydrophobicContact CG-CG 4.31Å; Y264-A299 WeakPolarHBondContact OH-CA 3.1Å; Y264-A299 PolarHBondContact OH-O 2.94Å
265	C	95.8	Very high	96.2	Very high	67 Å²	67	57.3 Å²	57.3	45%	0.453	30%	0.298	S	S	.	.			trans	-147	166.2	-179.4	64.7	0	0	0	0	110.1	T249 I263 W297	T249-C265 HydrophobicContact CG2-CB 3.96Å; I263-C265 HydrophobicContact CG2-CB 4.33Å; C265-W297 WeakPolarHBondContact O-CH2 3.18Å
266	H	92.9	Very high	96.3	Very high	73 Å²	73	56.7 Å²	56.7	34%	0.338	30%	0.295	S	S	.	.			trans	-151.3	138	173.4	-169.8	67.3	0	0	0	108.7	N268 I269 W297	H266-N268 PolarHBondContact NE2-ND2 3.33Å; H266-N268 PolarHBondContact O-N 2.85Å; H266-I269 HydrophobicContact CB-CD1 3.87Å; H266-I269 HydrophobicContact CB-CG1 4.08Å; H266-I269 PolarHBondContact O-N 2.62Å; H266-W297 HydrophobicContact CB-CH2 4.03Å
267	D	87.2	Confident	96.3	Very high	152 Å²	152	47.3 Å²	47.3	81%	0.813	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.8	-171.3	-58.7	-22.8	0	0	0	114.4
268	N	89.8	Confident	96.3	Very high	137 Å²	137	46.3 Å²	46.3	73%	0.733	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-4.5	178.7	-60.4	-52.7	0	0	0	113.9	H266	H266-N268 PolarHBondContact NE2-ND2 3.33Å; H266-N268 PolarHBondContact O-N 2.85Å
269	I	91.9	Very high	96.4	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.077	25%	0.247	C	C	.	.			trans	-106.3	103.7	-180	-56.4	176.1	0	0	0	107.6	A248 H266 Y289 W297	A248-I269 WeakPolarHBondContact CB-O 3.39Å; H266-I269 HydrophobicContact CB-CD1 3.87Å; H266-I269 HydrophobicContact CB-CG1 4.08Å; H266-I269 PolarHBondContact O-N 2.62Å; I269-Y289 HydrophobicContact CG2-CD1 3.72Å; I269-Y289 HydrophobicContact CG2-CE1 3.49Å; I269-Y289 VanDerWaalsContact CG2-CE1 3.49Å; I269-W297 HydrophobicContact CD1-CH2 4.26Å; I269-W297 HydrophobicContact CD1-CZ2 4.08Å
270	I	94.3	Very high	96.4	Very high	152 Å²	152	50.6 Å²	50.6	78%	0.779	27%	0.265	S	S	*	.			trans	-117.7	8.6	-178.6	60.9	168.8	0	0	0	112.6
271	C	96.4	Very high	96.4	Very high	27 Å²	27	52 Å²	52	18%	0.182	28%	0.281	C	S	.	.	S	Bend	trans	-102.2	152.8	-175.9	70.3	0	0	0	0	111	A248 D290 D291	A248-C271 WeakPolarHBondContact CA-O 3.47Å; A248-C271 VanDerWaalsContact CB-O 3.29Å; A248-C271 WeakPolarHBondContact CB-O 3.49Å; C271-D290 HydrophobicContact CB-CB 3.95Å; C271-D291 VanDerWaalsContact SG-CB 3.59Å
272	G	97.4	Very high	96.4	Very high	7 Å²	7	49.3 Å²	49.3	7%	0.072	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.1	152.1	-177.3	0	0	0	0	0	113.3	D290	G272-D290 PolarHBondContact O-N 3.28Å
273	I	98.8	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.3	174.4	-65.7	146.6	0	0	0	108.6	N230 S245 T249 C250 V276 A287 G288 Y289	N230-I273 VanDerWaalsContact CB-O 3.27Å; N230-I273 WeakPolarHBondContact CB-O 3.06Å; N230-I273 PolarHBondContact ND2-O 2.92Å; S245-I273 PolarHBondContact O-N 2.8Å; T249-I273 WeakPolarHBondContact O-CD1 3.47Å; C250-I273 WeakPolarHBondContact SG-CD1 3.14Å; I273-V276 HydrophobicContact CG2-CG1 3.87Å; I273-A287 HydrophobicContact CG2-CB 4.29Å; I273-G288 WeakPolarHBondContact CA-O 3.4Å; I273-Y289 HydrophobicContact CD1-CE1 3.82Å; I273-Y289 HydrophobicContact CG1-CD1 3.61Å; I273-Y289 HydrophobicContact CG1-CE1 3.19Å; I273-Y289 HydrophobicContact CG1-CE2 4.33Å; I273-Y289 HydrophobicContact CG1-CG 4.35Å
274	T	98.8	Very high	96.5	Very high	25 Å²	25	49.8 Å²	49.8	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-27.3	-177.8	63.1	0	0	0	0	113.2	G288 D290 R314 V315	T274-G288 PolarHBondContact N-O 3.48Å; T274-G288 PolarHBondContact OG1-O 2.8Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.43Å; T274-R314 HydrophobicContact CG2-CG 3.93Å; T274-V315 WeakPolarHBondContact CB-O 3.43Å; T274-V315 VanDerWaalsContact CG2-O 3.27Å; T274-V315 WeakPolarHBondContact CG2-O 3.43Å; T274-V315 PolarHBondContact OG1-O 2.96Å
275	S	98.7	Very high	96.6	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	147.2	-170.3	46.9	0	0	0	0	111.2	A287 G288 C317 L318	S275-A287 CarbonylContact O-C 3.55Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.49Å; S275-G288 PolarHBondContact O-N 2.96Å; S275-C317 WeakPolarHBondContact OG-CA 3.46Å; S275-L318 VanDerWaalsContact O-CD2 3.27Å; S275-L318 WeakPolarHBondContact O-CD2 3.36Å; S275-L318 WeakPolarHBondContact OG-CD2 3.33Å; S275-L318 PolarHBondContact OG-N 2.85Å
276	V	98.9	Very high	96.7	Very high	11 Å²	11	47 Å²	47	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.8	177.7	-64	0	0	0	0	110.5	A231 C233 I273 L285 L286 A287	A231-V276 HydrophobicContact CB-CG2 3.93Å; C233-V276 HydrophobicContact CB-CG2 3.89Å; I273-V276 HydrophobicContact CG2-CG1 3.87Å; V276-L285 HydrophobicContact CB-CD1 4.27Å; V276-L286 CarbonylContact C-O 3.53Å; V276-L286 VanDerWaalsContact CA-O 3.29Å; V276-L286 WeakPolarHBondContact CA-O 3.36Å; V276-A287 HydrophobicContact CG1-CB 4.12Å
277	A	98.8	Very high	97	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.4	168.9	0	0	0	0	0	112.1	L286 L318 V320	A277-L286 PolarHBondContact N-O 3.41Å; A277-L286 PolarHBondContact O-N 2.71Å; A277-L318 HydrophobicContact CB-CD1 3.31Å; A277-L318 HydrophobicContact CB-CG 4.44Å; A277-V320 HydrophobicContact CB-CG2 4.09Å
278	F	98.9	Very high	97.5	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	145.3	171.5	-77	-73.9	0	0	0	112.2	F235 P236 A242 L252 L285 A299	F235-F278 HydrophobicContact CB-CD2 4.39Å; F235-F278 HydrophobicContact CB-CE2 4.12Å; F235-F278 AromaticContact CD2-CD1 3.93Å; F235-F278 HydrophobicContact CD2-CD1 3.93Å; F235-F278 HydrophobicContact CD2-CD2 4.16Å; F235-F278 AromaticContact CD2-CE1 3.69Å; F235-F278 HydrophobicContact CD2-CE1 3.69Å; F235-F278 AromaticContact CD2-CE2 3.92Å; F235-F278 HydrophobicContact CD2-CE2 3.92Å; F235-F278 HydrophobicContact CD2-CG 4.15Å; F235-F278 AromaticContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CD2-CZ 3.68Å; F235-F278 HydrophobicContact CE2-CD1 4.19Å; F235-F278 HydrophobicContact CE2-CE1 4.05Å; F235-F278 HydrophobicContact CE2-CZ 4.47Å; P236-F278 HydrophobicContact CG-CB 4.32Å; A242-F278 HydrophobicContact CB-CE2 3.46Å; A242-F278 VanDerWaalsContact CB-CE2 3.46Å; A242-F278 HydrophobicContact CB-CZ 3.58Å; L252-F278 HydrophobicContact CD1-CZ 4.01Å; F278-L285 HydrophobicContact CD1-CB 4.28Å; F278-L285 HydrophobicContact CD1-CD1 4.27Å; F278-L285 HydrophobicContact CE1-CB 3.98Å; F278-L285 HydrophobicContact CE1-CD1 4.01Å; F278-L285 HydrophobicContact CE1-CG 4.48Å; F278-L285 HydrophobicContact CE2-CD1 4.33Å; F278-L285 HydrophobicContact CZ-CD1 4.04Å; F278-A299 HydrophobicContact CE1-CB 4.19Å
279	S	98.7	Very high	98	Very high	18 Å²	18	29.7 Å²	29.7	13%	0.126	16%	0.155	C	C	.	.			trans	-60.8	161.8	156.6	58.4	0	0	0	0	111.4	S281 G282 R283 L284	S279-S281 VanDerWaalsContact C-N 3.25Å; S279-S281 PolarHBondContact O-N 3.15Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S279-G282 WeakPolarHBondContact O-CA 3.32Å; S279-G282 PolarHBondContact O-N 2.88Å; S279-R283 PolarHBondContact OG-N 3.29Å; S279-L284 PolarHBondContact N-O 3.04Å; S279-L284 WeakPolarHBondContact OG-CA 3.37Å; S279-L284 WeakPolarHBondContact OG-CB 3.18Å; S279-L284 PolarHBondContact OG-N 3.34Å; S279-L284 PolarHBondContact OG-O 2.84Å; S279-L284 VanDerWaalsContact OG-O 3.05Å
280	R	98.3	Very high	98.3	Very high	152 Å²	152	30.8 Å²	30.8	57%	0.574	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-37.3	-175.2	-173.6	62.5	175.3	106.8	-7.1	115	D322	R280-D322 WeakPolarHBondContact CD-O 3.37Å; R280-D322 PolarHBondContact NE-O 3.41Å
281	S	98.2	Very high	98.4	Very high	87 Å²	87	26.4 Å²	26.4	61%	0.608	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13	177.8	63.5	0	0	0	0	113.6	S279 R283	S279-S281 VanDerWaalsContact C-N 3.25Å; S279-S281 PolarHBondContact O-N 3.15Å; S279-S281 VanDerWaalsContact O-N 3.12Å; S281-R283 PolarHBondContact O-N 3.06Å; S281-R283 WeakPolarHBondContact OG-CB 3.47Å; S281-R283 PolarHBondContact OG-N 3.4Å
282	G	98.2	Very high	98.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	77.8	-0.2	-170.2	0	0	0	0	0	114.5	F235 S279 L284 A299	F235-G282 VanDerWaalsContact CE2-CA 3.46Å; F235-G282 WeakPolarHBondContact CE2-O 3.38Å; S279-G282 WeakPolarHBondContact O-CA 3.32Å; S279-G282 PolarHBondContact O-N 2.88Å; G282-L284 VanDerWaalsContact C-N 3.34Å; G282-L284 PolarHBondContact O-N 3.22Å; G282-A299 VanDerWaalsContact O-CB 3.23Å; G282-A299 WeakPolarHBondContact O-CB 3.43Å
283	R	98.3	Very high	98.6	Very high	61 Å²	61	31 Å²	31	23%	0.23	16%	0.156	C	C	.	.	S	Bend	trans	-69	-32.8	-178.2	-177.9	58.5	-175.1	-85.2	0.1	113	D38 V40 S279 S281 D298 A299	D38-R283 PolarHBondContact O-NH2 3.39Å; V40-R283 HydrophobicContact CG1-CG 3.58Å; S279-R283 PolarHBondContact OG-N 3.29Å; S281-R283 PolarHBondContact O-N 3.06Å; S281-R283 WeakPolarHBondContact OG-CB 3.47Å; S281-R283 PolarHBondContact OG-N 3.4Å; R283-D298 IonicContact CZ-OD1 3.31Å; R283-D298 IonicContact CZ-OD2 2.68Å; R283-D298 IonicContact NE-OD1 2.84Å; R283-D298 PolarHBondContact NE-OD1 2.85Å; R283-D298 IonicContact NE-OD2 3.28Å; R283-D298 PolarHBondContact NE-OD2 2.78Å; R283-D298 IonicContact NH2-OD1 2.85Å; R283-D298 IonicContact NH2-OD2 3.85Å; R283-D298 PolarHBondContact NH2-OD2 3.49Å; R283-A299 WeakPolarHBondContact O-CB 3.42Å; R283-A299 PolarHBondContact O-N 2.85Å
284	L	98.8	Very high	98.6	Very high	30 Å²	30	31 Å²	31	16%	0.157	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.8	175.3	-51.7	176.9	0	0	0	110.5	V40 I43 S279 G282 L286 I296 W297	V40-L284 HydrophobicContact CG1-CD2 4.26Å; V40-L284 HydrophobicContact CG2-CD2 4.09Å; I43-L284 HydrophobicContact CD1-CD1 4.43Å; I43-L284 HydrophobicContact CG1-CD1 4.32Å; I43-L284 HydrophobicContact CG1-CD2 4.32Å; S279-L284 PolarHBondContact N-O 3.04Å; S279-L284 WeakPolarHBondContact OG-CA 3.37Å; S279-L284 WeakPolarHBondContact OG-CB 3.18Å; S279-L284 PolarHBondContact OG-N 3.34Å; S279-L284 PolarHBondContact OG-O 2.84Å; S279-L284 VanDerWaalsContact OG-O 3.05Å; G282-L284 VanDerWaalsContact C-N 3.34Å; G282-L284 PolarHBondContact O-N 3.22Å; L284-L286 HydrophobicContact CB-CD1 4.19Å; L284-I296 HydrophobicContact CB-CG2 3.99Å; L284-I296 HydrophobicContact CD1-CG2 4.07Å; L284-I296 HydrophobicContact CD2-CG2 4.08Å; L284-I296 HydrophobicContact CG-CG2 4.27Å; L284-W297 VanDerWaalsContact CA-O 3.32Å; L284-W297 WeakPolarHBondContact CA-O 3.31Å
285	L	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.9	166.2	173.3	64.9	0	0	0	108.3	A242 C250 Y264 V276 F278 W297	A242-L285 HydrophobicContact CB-CD1 3.79Å; A242-L285 HydrophobicContact CB-CD2 4.22Å; C250-L285 HydrophobicContact CB-CD2 3.9Å; Y264-L285 HydrophobicContact CD2-CD2 3.59Å; Y264-L285 HydrophobicContact CE2-CD2 3.59Å; Y264-L285 HydrophobicContact CG-CD2 4.19Å; V276-L285 HydrophobicContact CB-CD1 4.27Å; F278-L285 HydrophobicContact CD1-CB 4.28Å; F278-L285 HydrophobicContact CD1-CD1 4.27Å; F278-L285 HydrophobicContact CE1-CB 3.98Å; F278-L285 HydrophobicContact CE1-CD1 4.01Å; F278-L285 HydrophobicContact CE1-CG 4.48Å; F278-L285 HydrophobicContact CE2-CD1 4.33Å; F278-L285 HydrophobicContact CZ-CD1 4.04Å; L285-W297 HydrophobicContact CB-CB 4.29Å; L285-W297 PolarHBondContact N-O 3.28Å; L285-W297 PolarHBondContact O-N 2.81Å
286	L	98.9	Very high	98.6	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.5	176	-66.9	80.5	0	0	0	108.3	V276 A277 L284 I296 L308 L318 V320 A327	V276-L286 CarbonylContact C-O 3.53Å; V276-L286 VanDerWaalsContact CA-O 3.29Å; V276-L286 WeakPolarHBondContact CA-O 3.36Å; A277-L286 PolarHBondContact N-O 3.41Å; A277-L286 PolarHBondContact O-N 2.71Å; L284-L286 HydrophobicContact CB-CD1 4.19Å; L286-I296 HydrophobicContact CG-CG1 4.29Å; L286-L308 HydrophobicContact CD2-CD1 4.39Å; L286-L318 HydrophobicContact CB-CD1 3.98Å; L286-V320 HydrophobicContact CD1-CG2 4.2Å; L286-V320 HydrophobicContact CD2-CG2 4.41Å; L286-A327 HydrophobicContact CD2-CB 3.78Å
287	A	98.9	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.7	179	0	0	0	0	0	110.7	C250 I273 S275 V276 Y289 C294 N295	C250-A287 WeakPolarHBondContact SG-CB 3.13Å; I273-A287 HydrophobicContact CG2-CB 4.29Å; S275-A287 CarbonylContact O-C 3.55Å; S275-A287 VanDerWaalsContact O-CA 3.3Å; S275-A287 WeakPolarHBondContact O-CA 3.49Å; V276-A287 HydrophobicContact CG1-CB 4.12Å; A287-Y289 HydrophobicContact CB-CD2 4.38Å; A287-Y289 HydrophobicContact CB-CE2 3.53Å; A287-Y289 VanDerWaalsContact O-CD2 3.23Å; A287-Y289 WeakPolarHBondContact O-CD2 3.33Å; A287-Y289 VanDerWaalsContact O-CE2 3.28Å; A287-Y289 WeakPolarHBondContact O-CE2 3.25Å; A287-C294 CarbonylContact O-C 3.59Å; A287-C294 WeakPolarHBondContact O-CA 3.23Å; A287-C294 PolarHBondContact O-SG 3.45Å; A287-N295 PolarHBondContact N-O 3.07Å; A287-N295 PolarHBondContact O-N 2.89Å
288	G	98.8	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.5	177.1	0	0	0	0	0	110.4	I273 T274 S275	I273-G288 WeakPolarHBondContact CA-O 3.4Å; T274-G288 PolarHBondContact N-O 3.48Å; T274-G288 PolarHBondContact OG1-O 2.8Å; S275-G288 PolarHBondContact O-N 2.96Å
289	Y	98.8	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.3	-170.6	-71.1	-100.4	0	0	0	112.4	I269 I273 A287 D291 F292 N293 N295 W297 V315	I269-Y289 HydrophobicContact CG2-CD1 3.72Å; I269-Y289 HydrophobicContact CG2-CE1 3.49Å; I269-Y289 VanDerWaalsContact CG2-CE1 3.49Å; I273-Y289 HydrophobicContact CD1-CE1 3.82Å; I273-Y289 HydrophobicContact CG1-CD1 3.61Å; I273-Y289 HydrophobicContact CG1-CE1 3.19Å; I273-Y289 HydrophobicContact CG1-CE2 4.33Å; I273-Y289 HydrophobicContact CG1-CG 4.35Å; A287-Y289 HydrophobicContact CB-CD2 4.38Å; A287-Y289 HydrophobicContact CB-CE2 3.53Å; A287-Y289 VanDerWaalsContact O-CD2 3.23Å; A287-Y289 WeakPolarHBondContact O-CD2 3.33Å; A287-Y289 VanDerWaalsContact O-CE2 3.28Å; A287-Y289 WeakPolarHBondContact O-CE2 3.25Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.34Å; Y289-D291 PolarHBondContact O-N 2.8Å; Y289-F292 PolarHBondContact O-N 2.77Å; Y289-N293 PolarHBondContact N-O 3.36Å; Y289-N295 HydrophobicContact CD2-CB 4.37Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.39Å; Y289-N295 HydrophobicContact CE2-CB 3.72Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.49Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.16Å; Y289-W297 PolarHBondContact OH-NE1 3.49Å; Y289-W297 VanDerWaalsContact OH-NE1 3.14Å; Y289-V315 PolarHBondContact O-N 3.19Å
290	D	98.3	Very high	98.4	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	174.7	-85.1	2.1	0	0	0	114.4	C271 G272 T274 F292 R314	C271-D290 HydrophobicContact CB-CB 3.95Å; G272-D290 PolarHBondContact O-N 3.28Å; T274-D290 WeakPolarHBondContact CG2-OD1 3.43Å; D290-F292 WeakPolarHBondContact O-CD1 3.28Å; D290-F292 WeakPolarHBondContact O-CE1 3.41Å; D290-F292 PolarHBondContact O-N 2.84Å; D290-R314 VanDerWaalsContact CG-NE 3.33Å; D290-R314 WeakPolarHBondContact OD1-CD 3.41Å; D290-R314 WeakPolarHBondContact OD1-CG 3.49Å; D290-R314 IonicContact OD1-CZ 2.69Å; D290-R314 IonicContact OD1-NE 3.4Å; D290-R314 PolarHBondContact OD1-NE 2.87Å; D290-R314 IonicContact OD1-NH1 3.42Å; D290-R314 IonicContact OD1-NH2 3.99Å; D290-R314 PolarHBondContact OD1-NH2 3.04Å; D290-R314 IonicContact OD2-CZ 3.4Å; D290-R314 IonicContact OD2-NE 3.86Å; D290-R314 IonicContact OD2-NH2 3.54Å; D290-R314 PolarHBondContact OD2-NH2 3.11Å
291	D	97.8	Very high	98.2	Very high	61 Å²	61	24.8 Å²	24.8	33%	0.326	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	12.5	175.6	76.4	-17.3	0	0	0	114.1	C271 Y289 N293	C271-D291 VanDerWaalsContact SG-CB 3.59Å; Y289-D291 WeakPolarHBondContact CB-OD1 3.34Å; Y289-D291 PolarHBondContact O-N 2.8Å; D291-N293 PolarHBondContact O-N 3.37Å; D291-N293 PolarHBondContact O-ND2 3.09Å; D291-N293 WeakPolarHBondContact OD1-CB 3.44Å; D291-N293 PolarHBondContact OD1-N 2.94Å; D291-N293 PolarHBondContact OD2-ND2 2.78Å
292	F	98.3	Very high	98	Very high	85 Å²	85	21.5 Å²	21.5	37%	0.373	11%	0.107	S	C	.	.	S	Bend	trans	77.5	-1.5	176.2	-38.2	-22.4	0	0	0	113.9	Y289 D290 N313 V315	Y289-F292 PolarHBondContact O-N 2.77Å; D290-F292 WeakPolarHBondContact O-CD1 3.28Å; D290-F292 WeakPolarHBondContact O-CE1 3.41Å; D290-F292 PolarHBondContact O-N 2.84Å; F292-N313 WeakPolarHBondContact CB-O 3.48Å; F292-N313 VanDerWaalsContact CD1-CA 3.43Å; F292-N313 VanDerWaalsContact CG-C 3.43Å; F292-V315 WeakPolarHBondContact O-CG2 3.33Å
293	N	98.3	Very high	97.9	Very high	44 Å²	44	26.1 Å²	26.1	24%	0.235	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	160.3	178.6	-61.6	-56	0	0	0	111.7	Y289 D291 V307 A309	Y289-N293 PolarHBondContact N-O 3.36Å; D291-N293 PolarHBondContact O-N 3.37Å; D291-N293 PolarHBondContact O-ND2 3.09Å; D291-N293 WeakPolarHBondContact OD1-CB 3.44Å; D291-N293 PolarHBondContact OD1-N 2.94Å; D291-N293 PolarHBondContact OD2-ND2 2.78Å; N293-V307 HydrophobicContact CB-CG1 4.08Å; N293-A309 WeakPolarHBondContact OD1-CB 3.47Å
294	C	98.7	Very high	97.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.2	160.1	167.6	0	0	0	0	109.1	A287 V307 L308 T329	A287-C294 CarbonylContact O-C 3.59Å; A287-C294 WeakPolarHBondContact O-CA 3.23Å; A287-C294 PolarHBondContact O-SG 3.45Å; C294-V307 CarbonylContact O-C 3.6Å; C294-V307 WeakPolarHBondContact O-CA 3.38Å; C294-L308 HydrophobicContact CB-CB 4.07Å; C294-L308 HydrophobicContact CB-CD1 4.43Å; C294-L308 PolarHBondContact N-O 3.19Å; C294-L308 VanDerWaalsContact N-O 3.11Å; C294-L308 PolarHBondContact O-N 2.89Å; C294-T329 HydrophobicContact CB-CG2 4.33Å
295	N	98.6	Very high	97.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.8	176.8	-64.7	-78.7	0	0	0	109.7	A287 Y289 W297 R304	A287-N295 PolarHBondContact N-O 3.07Å; A287-N295 PolarHBondContact O-N 2.89Å; Y289-N295 HydrophobicContact CD2-CB 4.37Å; Y289-N295 WeakPolarHBondContact CD2-ND2 3.39Å; Y289-N295 HydrophobicContact CE2-CB 3.72Å; Y289-N295 WeakPolarHBondContact CE2-ND2 3.49Å; N295-W297 HydrophobicContact CB-CZ2 4.31Å; N295-R304 WeakPolarHBondContact OD1-CD 3.06Å; N295-R304 PolarHBondContact OD1-NH1 3.35Å
296	I	98.7	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.7	175.1	-51.8	177.9	0	0	0	107.5	I43 M45 L284 L286 R304 A305 G306 L308	I43-I296 HydrophobicContact CB-CD1 4.3Å; I43-I296 HydrophobicContact CG2-CD1 3.69Å; M45-I296 HydrophobicContact CG-CD1 4.47Å; M45-I296 HydrophobicContact SD-CD1 3.82Å; L284-I296 HydrophobicContact CB-CG2 3.99Å; L284-I296 HydrophobicContact CD1-CG2 4.07Å; L284-I296 HydrophobicContact CD2-CG2 4.08Å; L284-I296 HydrophobicContact CG-CG2 4.27Å; L286-I296 HydrophobicContact CG-CG1 4.29Å; I296-R304 CarbonylContact O-C 3.48Å; I296-A305 PolarHBondContact O-N 2.81Å; I296-G306 PolarHBondContact N-O 2.94Å; I296-G306 PolarHBondContact O-N 3.47Å; I296-G306 VanDerWaalsContact O-N 3.14Å; I296-L308 HydrophobicContact CD1-CD1 4.45Å; I296-L308 HydrophobicContact CD1-CD2 3.89Å; I296-L308 HydrophobicContact CD1-CG 4.01Å; I296-L308 HydrophobicContact CG1-CG 4.3Å
297	W	98.7	Very high	97.7	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.011	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.2	-179.4	-57.1	97.8	0	0	0	110.7	Y264 C265 H266 I269 L284 L285 Y289 N295 A299 R304	Y264-W297 HydrophobicContact CD1-CB 3.85Å; Y264-W297 HydrophobicContact CD1-CD2 4.47Å; Y264-W297 HydrophobicContact CD1-CE3 4.45Å; Y264-W297 HydrophobicContact CD1-CG 4.25Å; Y264-W297 HydrophobicContact CE1-CB 4.45Å; Y264-W297 HydrophobicContact CG-CB 4.32Å; Y264-W297 HydrophobicContact CG-CD2 4.47Å; Y264-W297 HydrophobicContact CG-CG 4.31Å; C265-W297 WeakPolarHBondContact O-CH2 3.18Å; H266-W297 HydrophobicContact CB-CH2 4.03Å; I269-W297 HydrophobicContact CD1-CH2 4.26Å; I269-W297 HydrophobicContact CD1-CZ2 4.08Å; L284-W297 VanDerWaalsContact CA-O 3.32Å; L284-W297 WeakPolarHBondContact CA-O 3.31Å; L285-W297 HydrophobicContact CB-CB 4.29Å; L285-W297 PolarHBondContact N-O 3.28Å; L285-W297 PolarHBondContact O-N 2.81Å; Y289-W297 WeakPolarHBondContact OH-CZ2 3.16Å; Y289-W297 PolarHBondContact OH-NE1 3.49Å; Y289-W297 VanDerWaalsContact OH-NE1 3.14Å; N295-W297 HydrophobicContact CB-CZ2 4.31Å; W297-A299 PolarHBondContact O-N 3.17Å; W297-R304 HydrophobicContact CE3-CB 3.97Å; W297-R304 HydrophobicContact CH2-CB 4.45Å; W297-R304 HydrophobicContact CZ3-CB 3.89Å
298	D	98.3	Very high	97.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	108.2	164	-173.5	-29.6	0	0	0	108.1	V40 R283 M300 K301 G302 D303	V40-D298 HydrophobicContact CG2-CB 4.2Å; R283-D298 IonicContact CZ-OD1 3.31Å; R283-D298 IonicContact CZ-OD2 2.68Å; R283-D298 IonicContact NE-OD1 2.84Å; R283-D298 PolarHBondContact NE-OD1 2.85Å; R283-D298 IonicContact NE-OD2 3.28Å; R283-D298 PolarHBondContact NE-OD2 2.78Å; R283-D298 IonicContact NH2-OD1 2.85Å; R283-D298 IonicContact NH2-OD2 3.85Å; R283-D298 PolarHBondContact NH2-OD2 3.49Å; D298-M300 PolarHBondContact O-N 3.49Å; D298-M300 VanDerWaalsContact O-N 3.11Å; D298-M300 PolarHBondContact OD1-N 3.01Å; D298-K301 HydrophobicContact CB-CB 4.2Å; D298-K301 PolarHBondContact O-N 2.73Å; D298-K301 PolarHBondContact OD1-N 3.38Å; D298-G302 PolarHBondContact O-N 3.17Å; D298-D303 PolarHBondContact N-O 3.37Å
299	A	97.9	Very high	97.7	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.4	-173.9	0	0	0	0	0	113.5	L30 Y264 F278 G282 R283 W297	L30-A299 WeakPolarHBondContact CD2-O 3.47Å; Y264-A299 WeakPolarHBondContact OH-CA 3.1Å; Y264-A299 PolarHBondContact OH-O 2.94Å; F278-A299 HydrophobicContact CE1-CB 4.19Å; G282-A299 VanDerWaalsContact O-CB 3.23Å; G282-A299 WeakPolarHBondContact O-CB 3.43Å; R283-A299 WeakPolarHBondContact O-CB 3.42Å; R283-A299 PolarHBondContact O-N 2.85Å; W297-A299 PolarHBondContact O-N 3.17Å
300	M	96.7	Very high	97.6	Very high	52 Å²	52	35.2 Å²	35.2	26%	0.256	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-33	-179.9	-59	-61.5	170.9	0	0	111.8	L30 A34 L37 D298	L30-M300 HydrophobicContact CD1-SD 4.32Å; A34-M300 HydrophobicContact CB-CB 3.97Å; A34-M300 WeakPolarHBondContact CB-O 3.15Å; L37-M300 HydrophobicContact CD1-CB 3.93Å; L37-M300 HydrophobicContact CD1-CG 4.13Å; D298-M300 PolarHBondContact O-N 3.49Å; D298-M300 VanDerWaalsContact O-N 3.11Å; D298-M300 PolarHBondContact OD1-N 3.01Å
301	K	95.2	Very high	97.7	Very high	46 Å²	46	34 Å²	34	20%	0.2	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-21.3	-174.8	-66	-157.3	169.8	-154.2	0	114.7	T31 L37 D298 D303	T31-K301 WeakPolarHBondContact CG2-O 3.46Å; L37-K301 WeakPolarHBondContact O-CE 3.35Å; L37-K301 PolarHBondContact O-NZ 3.36Å; D298-K301 HydrophobicContact CB-CB 4.2Å; D298-K301 PolarHBondContact O-N 2.73Å; D298-K301 PolarHBondContact OD1-N 3.38Å; K301-D303 HydrophobicContact CB-CB 4.47Å; K301-D303 PolarHBondContact O-N 3.09Å
302	G	94.3	Very high	97.7	Very high	18 Å²	18	37.3 Å²	37.3	19%	0.186	21%	0.209	C	C	.	.			trans	80.5	-8.2	-172.6	0	0	0	0	0	114	D298	D298-G302 PolarHBondContact O-N 3.17Å
303	D	95.2	Very high	97.7	Very high	98 Å²	98	35.9 Å²	35.9	52%	0.524	21%	0.205	S	C	.	.			trans	-73.9	145.4	-178.2	-65.3	-41.1	0	0	0	112.3	D298 K301 A305	D298-D303 PolarHBondContact N-O 3.37Å; K301-D303 HydrophobicContact CB-CB 4.47Å; K301-D303 PolarHBondContact O-N 3.09Å; D303-A305 PolarHBondContact O-N 3.11Å
304	R	97.1	Very high	97.7	Very high	111 Å²	111	37.4 Å²	37.4	42%	0.419	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	107.7	169.2	-174.3	172.1	62.6	173.2	-3.9	110.4	N295 I296 W297	N295-R304 WeakPolarHBondContact OD1-CD 3.06Å; N295-R304 PolarHBondContact OD1-NH1 3.35Å; I296-R304 CarbonylContact O-C 3.48Å; W297-R304 HydrophobicContact CE3-CB 3.97Å; W297-R304 HydrophobicContact CH2-CB 4.45Å; W297-R304 HydrophobicContact CZ3-CB 3.89Å
305	A	97.7	Very high	97.7	Very high	13 Å²	13	37.3 Å²	37.3	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-27.3	-179	0	0	0	0	0	113.8	V40 R42 I43 I296 D303	V40-A305 HydrophobicContact CG2-CB 3.59Å; R42-A305 CarbonylContact C-O 3.6Å; R42-A305 WeakPolarHBondContact CA-O 3.44Å; I43-A305 HydrophobicContact CG1-CB 3.94Å; I43-A305 PolarHBondContact N-O 3.45Å; I296-A305 PolarHBondContact O-N 2.81Å; D303-A305 PolarHBondContact O-N 3.11Å
306	G	97.9	Very high	97.7	Very high	7 Å²	7	38 Å²	38	7%	0.072	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	172.5	-177.3	0	0	0	0	0	114	I296	I296-G306 PolarHBondContact N-O 2.94Å; I296-G306 PolarHBondContact O-N 3.47Å; I296-G306 VanDerWaalsContact O-N 3.14Å
307	V	98.3	Very high	97.7	Very high	61 Å²	61	38.4 Å²	38.4	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.1	176.5	-176.6	0	0	0	0	109	N293 C294 A309	N293-V307 HydrophobicContact CB-CG1 4.08Å; C294-V307 CarbonylContact O-C 3.6Å; C294-V307 WeakPolarHBondContact O-CA 3.38Å; V307-A309 HydrophobicContact CG1-CB 4.32Å
308	L	98.5	Very high	97.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	91.3	169.5	-51.3	-177.7	0	0	0	108.1	M45 L286 C294 I296 W339	M45-L308 HydrophobicContact CB-CD2 3.72Å; M45-L308 HydrophobicContact CG-CD2 4.24Å; M45-L308 HydrophobicContact SD-CD1 4.45Å; M45-L308 HydrophobicContact SD-CD2 4.1Å; L286-L308 HydrophobicContact CD2-CD1 4.39Å; C294-L308 HydrophobicContact CB-CB 4.07Å; C294-L308 HydrophobicContact CB-CD1 4.43Å; C294-L308 PolarHBondContact N-O 3.19Å; C294-L308 VanDerWaalsContact N-O 3.11Å; C294-L308 PolarHBondContact O-N 2.89Å; I296-L308 HydrophobicContact CD1-CD1 4.45Å; I296-L308 HydrophobicContact CD1-CD2 3.89Å; I296-L308 HydrophobicContact CD1-CG 4.01Å; I296-L308 HydrophobicContact CG1-CG 4.3Å; L308-W339 HydrophobicContact CB-CD2 4.31Å; L308-W339 HydrophobicContact CB-CE3 4.24Å; L308-W339 HydrophobicContact CB-CH2 4.18Å; L308-W339 HydrophobicContact CB-CZ2 4.26Å; L308-W339 HydrophobicContact CB-CZ3 4.17Å; L308-W339 HydrophobicContact CD1-CB 4.35Å; L308-W339 HydrophobicContact CD1-CD2 4.07Å; L308-W339 HydrophobicContact CD1-CG 3.96Å; L308-W339 HydrophobicContact CD2-CD2 4.26Å; L308-W339 HydrophobicContact CD2-CE3 3.93Å; L308-W339 HydrophobicContact CD2-CZ3 4.43Å; L308-W339 HydrophobicContact CG-CD2 4.45Å; L308-W339 HydrophobicContact CG-CE3 4.48Å
309	A	98.1	Very high	97.8	Very high	67 Å²	67	39.6 Å²	39.6	55%	0.554	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	114.8	175.6	0	0	0	0	0	108.9	N293 V307	N293-A309 WeakPolarHBondContact OD1-CB 3.47Å; V307-A309 HydrophobicContact CG1-CB 4.32Å
310	G	97.8	Very high	97.8	Very high	26 Å²	26	40.9 Å²	40.9	27%	0.268	23%	0.232	S	C	.	.			trans	-175.6	6.8	176.7	0	0	0	0	0	115.6	K337	G310-K337 WeakPolarHBondContact O-CE 3.49Å; G310-K337 PolarHBondContact O-NZ 3.15Å
311	H	98.7	Very high	97.9	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.056	22%	0.221	C	C	.	.			trans	-101.8	151.1	170.6	-75.8	-72.3	0	0	0	110.1	V315 T329 S331 D333 F335	H311-V315 HydrophobicContact CB-CG2 4.39Å; H311-T329 PolarHBondContact CD2-OG1 3.35Å; H311-T329 PolarHBondContact NE2-OG1 3.02Å; H311-S331 VanDerWaalsContact CG-CB 3.49Å; H311-S331 WeakPolarHBondContact ND1-CB 3.3Å; H311-D333 VanDerWaalsContact CA-OD2 3.31Å; H311-D333 WeakPolarHBondContact CA-OD2 2.9Å; H311-D333 WeakPolarHBondContact CB-OD2 3.2Å; H311-D333 IonicContact CE1-OD1 3.79Å; H311-D333 IonicContact CE1-OD2 3.56Å; H311-D333 IonicContact CG-OD2 2.62Å; H311-D333 IonicContact ND1-OD1 3.49Å; H311-D333 PolarHBondContact ND1-OD1 3.18Å; H311-D333 IonicContact ND1-OD2 3.53Å; H311-D333 PolarHBondContact ND1-OD2 3.41Å; H311-F335 PolarHBondContact CE1-O 3.25Å
312	D	98.4	Very high	98	Very high	131 Å²	131	40.6 Å²	40.6	70%	0.701	23%	0.234	S	C	*	.	S	Bend	trans	-99.7	8.3	179.5	-61.3	-43.4	0	0	0	112.1	D333	D312-D333 HydrophobicContact CB-CB 4.38Å; D312-D333 PolarHBondContact N-OD2 3.4Å; D312-D333 VanDerWaalsContact N-OD2 3.16Å
313	N	98.7	Very high	98.2	Very high	54 Å²	54	43 Å²	43	29%	0.289	24%	0.242	S	C	.	.	S	Bend	trans	-158.4	173.8	178.3	-149.4	-39.1	0	0	0	110.3	F292 V315 S331 W332 D333	F292-N313 WeakPolarHBondContact CB-O 3.48Å; F292-N313 VanDerWaalsContact CD1-CA 3.43Å; F292-N313 VanDerWaalsContact CG-C 3.43Å; N313-V315 PolarHBondContact O-N 2.92Å; N313-S331 PolarHBondContact O-OG 3.32Å; N313-W332 HydrophobicContact CB-CB 3.91Å; N313-D333 HydrophobicContact CB-CB 3.97Å
314	R	98.6	Very high	98.4	Very high	76 Å²	76	39.9 Å²	39.9	29%	0.287	23%	0.234	S	C	.	.			trans	-41.8	125.2	-178.8	172.8	-176.8	-69.2	-165.2	-9.5	111.2	T274 D290 S316 S331 W332	T274-R314 HydrophobicContact CG2-CG 3.93Å; D290-R314 VanDerWaalsContact CG-NE 3.33Å; D290-R314 WeakPolarHBondContact OD1-CD 3.41Å; D290-R314 WeakPolarHBondContact OD1-CG 3.49Å; D290-R314 IonicContact OD1-CZ 2.69Å; D290-R314 IonicContact OD1-NE 3.4Å; D290-R314 PolarHBondContact OD1-NE 2.87Å; D290-R314 IonicContact OD1-NH1 3.42Å; D290-R314 IonicContact OD1-NH2 3.99Å; D290-R314 PolarHBondContact OD1-NH2 3.04Å; D290-R314 IonicContact OD2-CZ 3.4Å; D290-R314 IonicContact OD2-NE 3.86Å; D290-R314 IonicContact OD2-NH2 3.54Å; D290-R314 PolarHBondContact OD2-NH2 3.11Å; R314-S316 PolarHBondContact O-N 3.08Å; R314-S331 VanDerWaalsContact O-CA 3.25Å; R314-S331 WeakPolarHBondContact O-CA 3.35Å; R314-S331 WeakPolarHBondContact O-CB 3.16Å; R314-S331 PolarHBondContact O-OG 3.48Å; R314-W332 HydrophobicContact CB-CB 4.46Å; R314-W332 HydrophobicContact CB-CD2 4.03Å; R314-W332 HydrophobicContact CB-CE3 4.01Å; R314-W332 HydrophobicContact CB-CG 4.23Å; R314-W332 HydrophobicContact CG-CD2 4.41Å; R314-W332 PolarHBondContact O-N 2.93Å
315	V	98.9	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114.2	166.7	177.4	0	0	0	0	105.3	T274 Y289 F292 H311 N313 T329 G330	T274-V315 WeakPolarHBondContact CB-O 3.43Å; T274-V315 VanDerWaalsContact CG2-O 3.27Å; T274-V315 WeakPolarHBondContact CG2-O 3.43Å; T274-V315 PolarHBondContact OG1-O 2.96Å; Y289-V315 PolarHBondContact O-N 3.19Å; F292-V315 WeakPolarHBondContact O-CG2 3.33Å; H311-V315 HydrophobicContact CB-CG2 4.39Å; N313-V315 PolarHBondContact O-N 2.92Å; V315-T329 HydrophobicContact CG1-CG2 4.3Å; V315-G330 CarbonylContact C-O 3.51Å
316	S	98.8	Very high	98.5	Very high	14 Å²	14	40.5 Å²	40.5	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-25.6	-172.9	53.7	0	0	0	0	113	I58 R314 G330	I58-S316 VanDerWaalsContact O-CB 3.3Å; I58-S316 WeakPolarHBondContact O-CB 3.34Å; I58-S316 PolarHBondContact O-OG 3.44Å; R314-S316 PolarHBondContact O-N 3.08Å; S316-G330 PolarHBondContact N-O 3.41Å; S316-G330 PolarHBondContact OG-O 3.4Å
317	C	98.7	Very high	98.5	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	152.4	-178.8	53.5	0	0	0	0	110.9	A60 M61 S275 T329 G330	A60-C317 VanDerWaalsContact C-SG 3.58Å; M61-C317 HydrophobicContact CG-CB 4.18Å; S275-C317 WeakPolarHBondContact OG-CA 3.46Å; C317-T329 WeakPolarHBondContact O-CA 3.42Å; C317-G330 PolarHBondContact N-O 3.46Å; C317-G330 PolarHBondContact O-N 2.97Å
318	L	98.7	Very high	98.5	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.1	174.3	83.3	94.3	0	0	0	110.9	S275 A277 L286 C328 T329	S275-L318 VanDerWaalsContact O-CD2 3.27Å; S275-L318 WeakPolarHBondContact O-CD2 3.36Å; S275-L318 WeakPolarHBondContact OG-CD2 3.33Å; S275-L318 PolarHBondContact OG-N 2.85Å; A277-L318 HydrophobicContact CB-CD1 3.31Å; A277-L318 HydrophobicContact CB-CG 4.44Å; L286-L318 HydrophobicContact CB-CD1 3.98Å; L318-C328 CarbonylContact C-O 3.5Å; L318-C328 WeakPolarHBondContact CA-O 3.44Å; L318-T329 HydrophobicContact CB-CG2 4.26Å
319	G	98.7	Very high	98.6	Very high	12 Å²	12	37.4 Å²	37.4	12%	0.124	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	143.8	174.1	0	0	0	0	0	111.9	W63 A327 C328	W63-G319 PolarHBondContact NE1-O 3.16Å; G319-A327 CarbonylContact O-C 3.57Å; G319-A327 WeakPolarHBondContact O-CA 3.43Å; G319-C328 PolarHBondContact N-O 2.91Å; G319-C328 PolarHBondContact O-N 3.09Å
320	V	98.9	Very high	98.6	Very high	27 Å²	27	34.2 Å²	34.2	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.6	172.8	-179.2	0	0	0	0	108.3	A277 L286 A326 A327	A277-V320 HydrophobicContact CB-CG2 4.09Å; L286-V320 HydrophobicContact CD1-CG2 4.2Å; L286-V320 HydrophobicContact CD2-CG2 4.41Å; V320-A326 WeakPolarHBondContact CA-O 3.47Å; V320-A327 HydrophobicContact CG2-CB 4.25Å
321	T	98.8	Very high	98.6	Very high	5 Å²	5	33 Å²	33	3%	0.031	18%	0.184	C	C	.	.			trans	-67.6	151.7	176.5	54.5	0	0	0	0	112	W63 D323 G324 M325 A326	W63-T321 HydrophobicContact CD2-CG2 3.67Å; W63-T321 HydrophobicContact CE3-CG2 3.84Å; W63-T321 HydrophobicContact CG-CG2 4.24Å; W63-T321 HydrophobicContact CH2-CG2 3.88Å; W63-T321 HydrophobicContact CZ2-CG2 3.68Å; W63-T321 HydrophobicContact CZ3-CG2 3.95Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.83Å; T321-D323 PolarHBondContact OG1-OD1 2.99Å; T321-G324 WeakPolarHBondContact O-CA 3.35Å; T321-G324 PolarHBondContact O-N 3.28Å; T321-G324 PolarHBondContact OG1-N 2.66Å; T321-M325 PolarHBondContact OG1-N 3.16Å; T321-A326 HydrophobicContact CG2-CB 4.25Å; T321-A326 PolarHBondContact N-O 3.22Å; T321-A326 PolarHBondContact OG1-N 3.27Å; T321-A326 VanDerWaalsContact OG1-N 3.11Å; T321-A326 PolarHBondContact OG1-O 3.27Å
322	D	97.9	Very high	98.7	Very high	88 Å²	88	34.8 Å²	34.8	47%	0.471	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25	-179.9	-73.9	-7	0	0	0	113.2	T65 S67 R280	T65-D322 WeakPolarHBondContact CA-OD2 3.43Å; S67-D322 PolarHBondContact OG-N 3.27Å; R280-D322 WeakPolarHBondContact CD-O 3.37Å; R280-D322 PolarHBondContact NE-O 3.41Å
323	D	98.3	Very high	98.7	Very high	67 Å²	67	29.6 Å²	29.6	36%	0.358	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.6	172.8	67.7	2.9	0	0	0	113.8	S67 T321 M325	S67-D323 VanDerWaalsContact CB-CG 3.46Å; S67-D323 WeakPolarHBondContact CB-OD2 2.88Å; S67-D323 PolarHBondContact OG-N 2.92Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.83Å; T321-D323 PolarHBondContact OG1-OD1 2.99Å; D323-M325 VanDerWaalsContact C-N 3.28Å; D323-M325 HydrophobicContact CB-CG 4.19Å; D323-M325 PolarHBondContact O-N 3.15Å; D323-M325 VanDerWaalsContact OD1-CB 3.27Å; D323-M325 WeakPolarHBondContact OD1-CB 3.38Å; D323-M325 WeakPolarHBondContact OD1-CG 3.29Å; D323-M325 PolarHBondContact OD1-N 3.42Å; D323-M325 WeakPolarHBondContact OD2-CG 3.35Å
324	G	98.3	Very high	98.7	Very high	34 Å²	34	28.1 Å²	28.1	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	74.2	7.5	-177.1	0	0	0	0	0	115.7	T321	T321-G324 WeakPolarHBondContact O-CA 3.35Å; T321-G324 PolarHBondContact O-N 3.28Å; T321-G324 PolarHBondContact OG1-N 2.66Å
325	M	98.4	Very high	98.7	Very high	125 Å²	125	27.4 Å²	27.4	62%	0.616	16%	0.155	S	C	*	.	S	Bend	trans	-74.3	-23	-174.5	-68.8	-67.2	167.2	0	0	114.3	T321 D323 N340	T321-M325 PolarHBondContact OG1-N 3.16Å; D323-M325 VanDerWaalsContact C-N 3.28Å; D323-M325 HydrophobicContact CB-CG 4.19Å; D323-M325 PolarHBondContact O-N 3.15Å; D323-M325 VanDerWaalsContact OD1-CB 3.27Å; D323-M325 WeakPolarHBondContact OD1-CB 3.38Å; D323-M325 WeakPolarHBondContact OD1-CG 3.29Å; D323-M325 PolarHBondContact OD1-N 3.42Å; D323-M325 WeakPolarHBondContact OD2-CG 3.35Å; M325-N340 VanDerWaalsContact O-CB 3.23Å; M325-N340 WeakPolarHBondContact O-CB 3.37Å; M325-N340 PolarHBondContact O-ND2 2.88Å; M325-N340 VanDerWaalsContact O-ND2 3.14Å
326	A	98.6	Very high	98.7	Very high	12 Å²	12	27.4 Å²	27.4	10%	0.099	16%	0.155	C	C	.	.			trans	-151.6	156.8	179.7	0	0	0	0	0	113.2	V320 T321 I338 W339	V320-A326 WeakPolarHBondContact CA-O 3.47Å; T321-A326 HydrophobicContact CG2-CB 4.25Å; T321-A326 PolarHBondContact N-O 3.22Å; T321-A326 PolarHBondContact OG1-N 3.27Å; T321-A326 VanDerWaalsContact OG1-N 3.11Å; T321-A326 PolarHBondContact OG1-O 3.27Å; A326-I338 HydrophobicContact CB-CG2 3.78Å; A326-W339 WeakPolarHBondContact CA-O 3.35Å
327	A	98.8	Very high	98.7	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.3	163.3	0	0	0	0	0	109.5	M45 L286 G319 V320 I338 W339	M45-A327 HydrophobicContact CE-CB 4.28Å; L286-A327 HydrophobicContact CD2-CB 3.78Å; G319-A327 CarbonylContact O-C 3.57Å; G319-A327 WeakPolarHBondContact O-CA 3.43Å; V320-A327 HydrophobicContact CG2-CB 4.25Å; A327-I338 CarbonylContact O-C 3.54Å; A327-I338 WeakPolarHBondContact O-CA 3.38Å; A327-W339 PolarHBondContact N-O 3.27Å; A327-W339 PolarHBondContact O-N 3.37Å
328	C	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.5	169.6	-173.2	0	0	0	0	109.8	M61 W63 L318 G319 K337 I338	M61-C328 HydrophobicContact CE-CB 3.58Å; M61-C328 HydrophobicContact SD-CB 4.25Å; W63-C328 HydrophobicContact CZ2-CB 3.49Å; W63-C328 VanDerWaalsContact CZ2-CB 3.49Å; L318-C328 CarbonylContact C-O 3.5Å; L318-C328 WeakPolarHBondContact CA-O 3.44Å; G319-C328 PolarHBondContact N-O 2.91Å; G319-C328 PolarHBondContact O-N 3.09Å; C328-K337 CarbonylContact C-O 3.56Å; C328-K337 VanDerWaalsContact CA-O 3.26Å; C328-K337 WeakPolarHBondContact CA-O 3.46Å; C328-I338 HydrophobicContact CB-CG1 4.44Å
329	T	98.9	Very high	98.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.8	169.9	55.6	0	0	0	0	109	C294 H311 V315 C317 L318 L336 K337 W339	C294-T329 HydrophobicContact CB-CG2 4.33Å; H311-T329 PolarHBondContact CD2-OG1 3.35Å; H311-T329 PolarHBondContact NE2-OG1 3.02Å; V315-T329 HydrophobicContact CG1-CG2 4.3Å; C317-T329 WeakPolarHBondContact O-CA 3.42Å; L318-T329 HydrophobicContact CB-CG2 4.26Å; T329-L336 CarbonylContact O-C 3.56Å; T329-L336 WeakPolarHBondContact O-CA 3.36Å; T329-K337 PolarHBondContact N-O 3.08Å; T329-K337 PolarHBondContact O-N 2.84Å; T329-W339 PolarHBondContact OG1-NE1 3.1Å
330	G	98.9	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.5	169.2	0	0	0	0	0	110.2	V315 S316 C317	V315-G330 CarbonylContact C-O 3.51Å; S316-G330 PolarHBondContact N-O 3.41Å; S316-G330 PolarHBondContact OG-O 3.4Å; C317-G330 PolarHBondContact N-O 3.46Å; C317-G330 PolarHBondContact O-N 2.97Å
331	S	98.9	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.8	-173.6	168.2	0	0	0	0	113	I58 H311 N313 R314 D333 S334 F335	I58-S331 WeakPolarHBondContact CB-O 3.2Å; I58-S331 PolarHBondContact N-O 2.91Å; H311-S331 VanDerWaalsContact CG-CB 3.49Å; H311-S331 WeakPolarHBondContact ND1-CB 3.3Å; N313-S331 PolarHBondContact O-OG 3.32Å; R314-S331 VanDerWaalsContact O-CA 3.25Å; R314-S331 WeakPolarHBondContact O-CA 3.35Å; R314-S331 WeakPolarHBondContact O-CB 3.16Å; R314-S331 PolarHBondContact O-OG 3.48Å; S331-D333 VanDerWaalsContact CB-OD1 3.26Å; S331-D333 WeakPolarHBondContact CB-OD1 3.36Å; S331-D333 PolarHBondContact O-N 3.42Å; S331-D333 VanDerWaalsContact OG-CG 3.29Å; S331-D333 PolarHBondContact OG-N 2.87Å; S331-D333 VanDerWaalsContact OG-N 3.1Å; S331-D333 PolarHBondContact OG-OD1 2.95Å; S331-S334 PolarHBondContact O-N 2.98Å; S331-F335 PolarHBondContact N-O 3.45Å
332	W	98.8	Very high	98.4	Very high	50 Å²	50	33.6 Å²	33.6	19%	0.189	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.8	169.1	-74.7	9.5	0	0	0	113.9	K57 Y59 N313 R314 S334	K57-W332 HydrophobicContact CB-CB 4.23Å; K57-W332 HydrophobicContact CB-CG 3.98Å; K57-W332 HydrophobicContact CD-CB 4.26Å; K57-W332 HydrophobicContact CD-CD2 3.78Å; K57-W332 HydrophobicContact CD-CE3 4.13Å; K57-W332 HydrophobicContact CD-CG 3.86Å; K57-W332 HydrophobicContact CG-CB 3.9Å; K57-W332 HydrophobicContact CG-CD2 4.36Å; K57-W332 HydrophobicContact CG-CG 3.9Å; Y59-W332 AromaticContact CE2-NE1 3.78Å; Y59-W332 AromaticContact CZ-NE1 3.95Å; N313-W332 HydrophobicContact CB-CB 3.91Å; R314-W332 HydrophobicContact CB-CB 4.46Å; R314-W332 HydrophobicContact CB-CD2 4.03Å; R314-W332 HydrophobicContact CB-CE3 4.01Å; R314-W332 HydrophobicContact CB-CG 4.23Å; R314-W332 HydrophobicContact CG-CD2 4.41Å; R314-W332 PolarHBondContact O-N 2.93Å; W332-S334 PolarHBondContact O-N 2.97Å
333	D	98.6	Very high	98.4	Very high	21 Å²	21	30.6 Å²	30.6	11%	0.112	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	3.9	170.7	72.5	6	0	0	0	114	H311 D312 N313 S331 F335	H311-D333 VanDerWaalsContact CA-OD2 3.31Å; H311-D333 WeakPolarHBondContact CA-OD2 2.9Å; H311-D333 WeakPolarHBondContact CB-OD2 3.2Å; H311-D333 IonicContact CE1-OD1 3.79Å; H311-D333 IonicContact CE1-OD2 3.56Å; H311-D333 IonicContact CG-OD2 2.62Å; H311-D333 IonicContact ND1-OD1 3.49Å; H311-D333 PolarHBondContact ND1-OD1 3.18Å; H311-D333 IonicContact ND1-OD2 3.53Å; H311-D333 PolarHBondContact ND1-OD2 3.41Å; D312-D333 HydrophobicContact CB-CB 4.38Å; D312-D333 PolarHBondContact N-OD2 3.4Å; D312-D333 VanDerWaalsContact N-OD2 3.16Å; N313-D333 HydrophobicContact CB-CB 3.97Å; S331-D333 VanDerWaalsContact CB-OD1 3.26Å; S331-D333 WeakPolarHBondContact CB-OD1 3.36Å; S331-D333 PolarHBondContact O-N 3.42Å; S331-D333 VanDerWaalsContact OG-CG 3.29Å; S331-D333 PolarHBondContact OG-N 2.87Å; S331-D333 VanDerWaalsContact OG-N 3.1Å; S331-D333 PolarHBondContact OG-OD1 2.95Å; D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 HydrophobicContact CB-CD2 4.25Å; D333-F335 WeakPolarHBondContact O-CD2 3.37Å; D333-F335 VanDerWaalsContact O-CE2 3.3Å; D333-F335 WeakPolarHBondContact O-CE2 3.35Å; D333-F335 PolarHBondContact O-N 3.29Å; D333-F335 WeakPolarHBondContact OD1-CB 3.31Å; D333-F335 PolarHBondContact OD1-N 3.01Å
334	S	98.7	Very high	98.4	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	15%	0.153	C	C	.	.	S	Bend	trans	71.9	8.6	-178.9	75.4	0	0	0	0	116.1	A56 I58 S331 W332	A56-S334 WeakPolarHBondContact O-CA 3.2Å; A56-S334 WeakPolarHBondContact O-CB 3.38Å; I58-S334 VanDerWaalsContact CD1-C 3.41Å; I58-S334 WeakPolarHBondContact CD1-O 3.48Å; S331-S334 PolarHBondContact O-N 2.98Å; W332-S334 PolarHBondContact O-N 2.97Å
335	F	98.8	Very high	98.4	Very high	61 Å²	61	28.1 Å²	28.1	27%	0.268	14%	0.141	S	C	.	.			trans	-108.9	148.7	177.7	-59	-69.7	0	0	0	112.7	T50 R52 I58 H311 S331 D333	T50-F335 HydrophobicContact CG2-CB 4.25Å; T50-F335 HydrophobicContact CG2-CD1 4.03Å; T50-F335 HydrophobicContact CG2-CG 4.32Å; R52-F335 HydrophobicContact CB-CE1 4.38Å; R52-F335 HydrophobicContact CG-CD1 3.86Å; R52-F335 HydrophobicContact CG-CE1 3.75Å; I58-F335 WeakPolarHBondContact CD1-O 3.48Å; H311-F335 PolarHBondContact CE1-O 3.25Å; S331-F335 PolarHBondContact N-O 3.45Å; D333-F335 VanDerWaalsContact C-N 3.29Å; D333-F335 HydrophobicContact CB-CD2 4.25Å; D333-F335 WeakPolarHBondContact O-CD2 3.37Å; D333-F335 VanDerWaalsContact O-CE2 3.3Å; D333-F335 WeakPolarHBondContact O-CE2 3.35Å; D333-F335 PolarHBondContact O-N 3.29Å; D333-F335 WeakPolarHBondContact OD1-CB 3.31Å; D333-F335 PolarHBondContact OD1-N 3.01Å
336	L	98.9	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.5	157.6	-56.4	95.9	0	0	0	110.2	T50 L51 I58 M61 L70 W82 T329	T50-L336 CarbonylContact C-O 3.57Å; T50-L336 WeakPolarHBondContact CA-O 3.47Å; L51-L336 HydrophobicContact CB-CB 4.09Å; L51-L336 HydrophobicContact CB-CD1 4.33Å; L51-L336 HydrophobicContact CD1-CB 4.12Å; L51-L336 HydrophobicContact CG-CB 4.3Å; L51-L336 PolarHBondContact N-O 3.43Å; L51-L336 PolarHBondContact O-N 3.04Å; I58-L336 HydrophobicContact CD1-CD1 3.48Å; I58-L336 VanDerWaalsContact CD1-CD1 3.48Å; I58-L336 HydrophobicContact CD1-CG 3.85Å; M61-L336 HydrophobicContact CB-CD2 3.77Å; M61-L336 HydrophobicContact CG-CD2 4.19Å; L70-L336 HydrophobicContact CD1-CD2 3.97Å; W82-L336 HydrophobicContact CZ2-CD1 4.25Å; T329-L336 CarbonylContact O-C 3.56Å; T329-L336 WeakPolarHBondContact O-CA 3.36Å
337	K	98.9	Very high	98.4	Very high	34 Å²	34	22.3 Å²	22.3	15%	0.148	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.7	178.3	-67.6	-178.2	-170.1	-129	0	110.1	T47 R49 T50 G310 C328 T329 W339	T47-K337 HydrophobicContact CG2-CB 3.99Å; T47-K337 HydrophobicContact CG2-CD 4.27Å; T47-K337 HydrophobicContact CG2-CG 4.1Å; R49-K337 WeakPolarHBondContact O-CA 3.24Å; T50-K337 HydrophobicContact CG2-CG 4.41Å; G310-K337 WeakPolarHBondContact O-CE 3.49Å; G310-K337 PolarHBondContact O-NZ 3.15Å; C328-K337 CarbonylContact C-O 3.56Å; C328-K337 VanDerWaalsContact CA-O 3.26Å; C328-K337 WeakPolarHBondContact CA-O 3.46Å; T329-K337 PolarHBondContact N-O 3.08Å; T329-K337 PolarHBondContact O-N 2.84Å; K337-W339 HydrophobicContact CB-CZ2 3.78Å; K337-W339 HydrophobicContact CD-CH2 4.33Å; K337-W339 HydrophobicContact CD-CZ2 3.87Å; K337-W339 HydrophobicContact CG-CZ2 4.44Å; K337-W339 VanDerWaalsContact O-CD1 3.26Å; K337-W339 PolarHBondContact O-NE1 3.23Å
338	I	98.9	Very high	98.4	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.6	176.4	-60.8	157.5	0	0	0	108.5	T47 R48 R49 L51 W63 S84 A326 A327 C328	T47-I338 CarbonylContact C-O 3.5Å; T47-I338 WeakPolarHBondContact CA-O 3.36Å; R48-I338 PolarHBondContact N-O 2.89Å; R49-I338 HydrophobicContact CB-CB 4.09Å; R49-I338 HydrophobicContact CB-CD1 3.8Å; R49-I338 HydrophobicContact CB-CG1 4.38Å; R49-I338 HydrophobicContact CG-CD1 4.24Å; R49-I338 PolarHBondContact N-O 3.48Å; R49-I338 PolarHBondContact O-N 2.83Å; L51-I338 HydrophobicContact CD1-CD1 4.26Å; L51-I338 HydrophobicContact CD2-CD1 4.24Å; L51-I338 HydrophobicContact CG-CD1 4.31Å; W63-I338 HydrophobicContact CH2-CD1 4.38Å; W63-I338 HydrophobicContact CH2-CG1 4.31Å; S84-I338 VanDerWaalsContact CB-CD1 3.42Å; A326-I338 HydrophobicContact CB-CG2 3.78Å; A327-I338 CarbonylContact O-C 3.54Å; A327-I338 WeakPolarHBondContact O-CA 3.38Å; C328-I338 HydrophobicContact CB-CG1 4.44Å
339	W	98.8	Very high	98.4	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.2	-171.4	-47.8	84.4	0	0	0	110.4	M45 R46 T47 L308 A326 A327 T329 K337	M45-W339 HydrophobicContact CB-CB 4.17Å; M45-W339 HydrophobicContact CE-CB 4.11Å; M45-W339 WeakPolarHBondContact CE-O 3.26Å; R46-W339 WeakPolarHBondContact O-CA 3.07Å; T47-W339 VanDerWaalsContact OG1-CH2 3.3Å; T47-W339 WeakPolarHBondContact OG1-CH2 3.25Å; T47-W339 WeakPolarHBondContact OG1-CZ3 3.22Å; L308-W339 HydrophobicContact CB-CD2 4.31Å; L308-W339 HydrophobicContact CB-CE3 4.24Å; L308-W339 HydrophobicContact CB-CH2 4.18Å; L308-W339 HydrophobicContact CB-CZ2 4.26Å; L308-W339 HydrophobicContact CB-CZ3 4.17Å; L308-W339 HydrophobicContact CD1-CB 4.35Å; L308-W339 HydrophobicContact CD1-CD2 4.07Å; L308-W339 HydrophobicContact CD1-CG 3.96Å; L308-W339 HydrophobicContact CD2-CD2 4.26Å; L308-W339 HydrophobicContact CD2-CE3 3.93Å; L308-W339 HydrophobicContact CD2-CZ3 4.43Å; L308-W339 HydrophobicContact CG-CD2 4.45Å; L308-W339 HydrophobicContact CG-CE3 4.48Å; A326-W339 WeakPolarHBondContact CA-O 3.35Å; A327-W339 PolarHBondContact N-O 3.27Å; A327-W339 PolarHBondContact O-N 3.37Å; T329-W339 PolarHBondContact OG1-NE1 3.1Å; K337-W339 HydrophobicContact CB-CZ2 3.78Å; K337-W339 HydrophobicContact CD-CH2 4.33Å; K337-W339 HydrophobicContact CD-CZ2 3.87Å; K337-W339 HydrophobicContact CG-CZ2 4.44Å; K337-W339 VanDerWaalsContact O-CD1 3.26Å; K337-W339 PolarHBondContact O-NE1 3.23Å
340	N	93.2	Very high	98.3	Very high	98 Å²	98	27.8 Å²	27.8	52%	0.524	14%	0.136	S	C	.	.			trans	-161.2	0	160.2	69.8	12.8	0	0	0	113.2	R46 R48 M325	R46-N340 PolarHBondContact N-O 3.29Å; R46-N340 VanDerWaalsContact N-O 3.16Å; R46-N340 PolarHBondContact O-N 2.91Å; R48-N340 WeakPolarHBondContact CG-OD1 3.43Å; R48-N340 PolarHBondContact NE-O 3.44Å; R48-N340 PolarHBondContact NE-OD1 2.91Å; R48-N340 PolarHBondContact NH2-O 3.31Å; M325-N340 VanDerWaalsContact O-CB 3.23Å; M325-N340 WeakPolarHBondContact O-CB 3.37Å; M325-N340 PolarHBondContact O-ND2 2.88Å; M325-N340 VanDerWaalsContact O-ND2 3.14Å

Retrieved 340 of 340 residues in 298.1 ms (Link to these results)

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