G4VK98_SCHMA Loading...

Putative histone-lysine n-methyltransferase, setb1

AlphaFold DB , UniProt , Accession G4VK98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	71	Confident	89	Confident	60 Å²	60	79.6 Å²	79.6	30%	0.296	40%	0.396	S	S	.	.				0	118.3	0	-168.7	173.5	-63	0	0	110.1	L78 E82 L121 W170	M1-L78 HydrophobicContact CB-CD2 4.46Å; M1-L78 PolarHBondContact N-O 3.36Å; M1-L78 VanDerWaalsContact N-O 3.1Å; M1-E82 PolarHBondContact N-OE2 3.35Å; M1-L121 HydrophobicContact CG-CD1 4.38Å; M1-L121 HydrophobicContact SD-CD1 3.56Å; M1-L121 VanDerWaalsContact SD-CD1 3.56Å; M1-W170 HydrophobicContact CG-CZ2 3.67Å; M1-W170 HydrophobicContact SD-CZ2 4.24Å
2	E	76.4	Confident	89.3	Confident	158 Å²	158	82.6 Å²	82.6	74%	0.738	42%	0.415	S	S	*	.			trans	-83	179.4	-178.6	-64.6	-178.7	167.1	0	0	111.7	W170	E2-W170 WeakPolarHBondContact O-CH2 3.44Å; E2-W170 WeakPolarHBondContact O-CZ2 3.4Å
3	L	85.1	Confident	89.2	Confident	11 Å²	11	82.4 Å²	82.4	6%	0.058	42%	0.415	C	S	.	.			trans	-90.3	143.8	167	-69.5	172.4	0	0	0	109.2	Y5 L121 V124 I199 Y201	L3-Y5 HydrophobicContact CB-CE1 4.08Å; L3-Y5 HydrophobicContact CB-CE2 4.1Å; L3-Y5 HydrophobicContact CD1-CE1 4.46Å; L3-Y5 WeakPolarHBondContact O-CE2 3.23Å; L3-L121 HydrophobicContact CD2-CD2 4.44Å; L3-V124 HydrophobicContact CB-CG2 4.28Å; L3-V124 HydrophobicContact CD1-CG2 4.19Å; L3-V124 HydrophobicContact CD2-CG2 4.25Å; L3-V124 HydrophobicContact CG-CG2 4.48Å; L3-I199 HydrophobicContact CD1-CG2 4.03Å; L3-Y201 HydrophobicContact CD1-CD1 4.3Å; L3-Y201 HydrophobicContact CD1-CE1 4.18Å; L3-Y201 HydrophobicContact CD2-CD1 3.74Å; L3-Y201 HydrophobicContact CD2-CE1 3.67Å; L3-Y201 HydrophobicContact CG-CD1 3.97Å; L3-Y201 HydrophobicContact CG-CE1 3.53Å
4	L	89.9	Confident	89.2	Confident	57 Å²	57	79.5 Å²	79.5	30%	0.298	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	148.2	167.2	-69.7	178.4	0	0	0	109.1	E123 V124 S169 W170	L4-E123 CarbonylContact O-C 3.52Å; L4-V124 PolarHBondContact O-N 3.41Å; L4-S169 VanDerWaalsContact CD1-C 3.47Å; L4-S169 VanDerWaalsContact CD1-CB 3.49Å; L4-S169 WeakPolarHBondContact CD1-O 3.18Å; L4-W170 HydrophobicContact CB-CE3 4.15Å; L4-W170 HydrophobicContact CB-CH2 3.97Å; L4-W170 HydrophobicContact CB-CZ3 3.56Å; L4-W170 HydrophobicContact CD1-CB 4.49Å; L4-W170 HydrophobicContact CD1-CD2 3.51Å; L4-W170 HydrophobicContact CD1-CE3 3.18Å; L4-W170 HydrophobicContact CD1-CG 4.13Å; L4-W170 HydrophobicContact CD1-CH2 4.03Å; L4-W170 HydrophobicContact CD1-CZ2 4.31Å; L4-W170 HydrophobicContact CD1-CZ3 3.47Å; L4-W170 VanDerWaalsContact CD1-CZ3 3.47Å; L4-W170 HydrophobicContact CD2-CH2 4.48Å; L4-W170 HydrophobicContact CG-CD2 4.02Å; L4-W170 HydrophobicContact CG-CE3 3.58Å; L4-W170 HydrophobicContact CG-CH2 3.44Å; L4-W170 VanDerWaalsContact CG-CH2 3.44Å; L4-W170 HydrophobicContact CG-CZ2 3.9Å; L4-W170 HydrophobicContact CG-CZ3 3.26Å; L4-W170 VanDerWaalsContact N-CH2 3.35Å
5	Y	93.6	Very high	89.2	Confident	72 Å²	72	79.9 Å²	79.9	28%	0.282	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137	-176	-54.7	-83	0	0	0	110.1	L3 I9 I14 V124 I199	L3-Y5 HydrophobicContact CB-CE1 4.08Å; L3-Y5 HydrophobicContact CB-CE2 4.1Å; L3-Y5 HydrophobicContact CD1-CE1 4.46Å; L3-Y5 WeakPolarHBondContact O-CE2 3.23Å; Y5-I9 HydrophobicContact CD1-CG2 4.29Å; Y5-I14 HydrophobicContact CD1-CD1 3.96Å; Y5-I14 HydrophobicContact CD1-CG1 3.89Å; Y5-I14 HydrophobicContact CD2-CD1 3.97Å; Y5-I14 HydrophobicContact CD2-CG1 4.29Å; Y5-I14 HydrophobicContact CD2-CG2 4Å; Y5-I14 HydrophobicContact CE1-CG1 4.09Å; Y5-I14 HydrophobicContact CE2-CG1 4.47Å; Y5-I14 HydrophobicContact CE2-CG2 3.68Å; Y5-I14 HydrophobicContact CG-CD1 3.6Å; Y5-I14 HydrophobicContact CG-CG1 3.99Å; Y5-V124 HydrophobicContact CD1-CB 3.79Å; Y5-V124 HydrophobicContact CD1-CG1 4.22Å; Y5-V124 HydrophobicContact CD1-CG2 4.16Å; Y5-V124 HydrophobicContact CE1-CB 4.21Å; Y5-V124 HydrophobicContact CE1-CG2 4.11Å; Y5-I199 HydrophobicContact CD1-CD1 4Å; Y5-I199 HydrophobicContact CE1-CB 4.46Å; Y5-I199 HydrophobicContact CE1-CD1 3.51Å; Y5-I199 HydrophobicContact CE1-CG2 4.19Å
6	H	94.8	Very high	89.4	Confident	26 Å²	26	81.3 Å²	81.3	12%	0.12	41%	0.413	C	S	.	.			trans	-63	148.9	165	-171.1	-96.6	0	0	0	110.5	D8 I9 E123 V124 I125 R133	H6-D8 IonicContact CE1-OD2 3.66Å; H6-D8 PolarHBondContact CE1-OD2 3.11Å; H6-D8 WeakPolarHBondContact ND1-CB 3.11Å; H6-D8 PolarHBondContact ND1-N 3.15Å; H6-D8 VanDerWaalsContact ND1-N 3.18Å; H6-D8 IonicContact ND1-OD2 3.79Å; H6-D8 PolarHBondContact O-N 3.23Å; H6-D8 VanDerWaalsContact O-N 3.16Å; H6-I9 HydrophobicContact CB-CG1 4.23Å; H6-I9 WeakPolarHBondContact O-CB 3.42Å; H6-I9 WeakPolarHBondContact O-CG1 3.49Å; H6-I9 PolarHBondContact O-N 2.87Å; H6-E123 WeakPolarHBondContact CA-OE1 3.42Å; H6-E123 IonicContact CD2-OE1 3.28Å; H6-E123 PolarHBondContact CD2-OE1 3.02Å; H6-E123 IonicContact CG-OE1 2.79Å; H6-V124 PolarHBondContact N-O 2.87Å; H6-I125 HydrophobicContact CB-CB 4.35Å; H6-I125 HydrophobicContact CB-CG2 4.03Å; H6-R133 PolarHBondContact CD2-NH2 3.3Å
7	E	93.3	Very high	89.7	Confident	179 Å²	179	81 Å²	81	84%	0.836	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	-177.5	61.2	-177.8	-175.7	0	0	114	I9	E7-I9 VanDerWaalsContact C-N 3.32Å; E7-I9 PolarHBondContact O-N 2.93Å
8	D	95.7	Very high	90.1	Very high	111 Å²	111	77 Å²	77	59%	0.594	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.4	177.3	-68.8	-28.4	0	0	0	114.2	H6 P10 P126	H6-D8 IonicContact CE1-OD2 3.66Å; H6-D8 PolarHBondContact CE1-OD2 3.11Å; H6-D8 WeakPolarHBondContact ND1-CB 3.11Å; H6-D8 PolarHBondContact ND1-N 3.15Å; H6-D8 VanDerWaalsContact ND1-N 3.18Å; H6-D8 IonicContact ND1-OD2 3.79Å; H6-D8 PolarHBondContact O-N 3.23Å; H6-D8 VanDerWaalsContact O-N 3.16Å; D8-P10 WeakPolarHBondContact O-CD 3.24Å; D8-P126 HydrophobicContact CB-CG 3.76Å
9	I	94.8	Very high	90.4	Very high	20 Å²	20	79.7 Å²	79.7	10%	0.103	40%	0.404	C	S	.	.	S	Bend	trans	-69.4	125.1	169	-63.7	-64.4	0	0	0	108.1	Y5 H6 E7 I11 I14 V124 P126 I199	Y5-I9 HydrophobicContact CD1-CG2 4.29Å; H6-I9 HydrophobicContact CB-CG1 4.23Å; H6-I9 WeakPolarHBondContact O-CB 3.42Å; H6-I9 WeakPolarHBondContact O-CG1 3.49Å; H6-I9 PolarHBondContact O-N 2.87Å; E7-I9 VanDerWaalsContact C-N 3.32Å; E7-I9 PolarHBondContact O-N 2.93Å; I9-I11 PolarHBondContact O-N 3.04Å; I9-I14 HydrophobicContact CB-CD1 4.16Å; I9-I14 HydrophobicContact CG2-CD1 3.75Å; I9-I14 HydrophobicContact CG2-CG1 3.73Å; I9-V124 HydrophobicContact CD1-CG1 4.07Å; I9-V124 HydrophobicContact CG1-CG1 4.42Å; I9-V124 WeakPolarHBondContact CG1-O 3.37Å; I9-P126 HydrophobicContact CD1-CG 4.05Å; I9-I199 HydrophobicContact CG2-CD1 4.04Å
10	P	92.9	Very high	90.7	Very high	74 Å²	74	76.3 Å²	76.3	48%	0.481	39%	0.389	S	S	.	.			trans	-54.5	125	178.3	-26.7	33.9	0	0	0	112	D8 D12 L13	D8-P10 WeakPolarHBondContact O-CD 3.24Å; P10-D12 PolarHBondContact O-N 3.34Å; P10-D12 VanDerWaalsContact O-N 3.16Å; P10-L13 HydrophobicContact CB-CD1 4.16Å; P10-L13 HydrophobicContact CB-CG 4.19Å; P10-L13 HydrophobicContact CG-CD1 4.02Å; P10-L13 WeakPolarHBondContact O-CB 3.46Å; P10-L13 PolarHBondContact O-N 2.99Å
11	I	91.9	Very high	90.9	Very high	108 Å²	108	72.7 Å²	72.7	55%	0.554	37%	0.371	S	S	*	.	H	α-helix	trans	-58.8	-31.2	-176.7	-169.1	62.1	0	0	0	112.9	I9 L13 I14 T15	I9-I11 PolarHBondContact O-N 3.04Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.43Å; I11-I14 HydrophobicContact CD1-CD1 4.43Å; I11-I14 PolarHBondContact O-N 3.32Å; I11-I14 VanDerWaalsContact O-N 3.14Å; I11-T15 HydrophobicContact CD1-CG2 3.9Å; I11-T15 HydrophobicContact CG1-CG2 3.96Å; I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 WeakPolarHBondContact O-CG2 3.3Å; I11-T15 PolarHBondContact O-N 2.76Å; I11-T15 PolarHBondContact O-OG1 3.27Å
12	D	91.8	Very high	92.1	Very high	115 Å²	115	75 Å²	75	62%	0.615	39%	0.389	S	S	*	.	H	α-helix	trans	-65.2	-35.2	177.5	-62.8	-26.6	0	0	0	111.4	P10 I14 T15 E16	P10-D12 PolarHBondContact O-N 3.34Å; P10-D12 VanDerWaalsContact O-N 3.16Å; D12-I14 PolarHBondContact O-N 2.87Å; D12-T15 PolarHBondContact O-N 3.22Å; D12-E16 WeakPolarHBondContact O-CB 3.22Å; D12-E16 PolarHBondContact O-N 2.8Å
13	L	88.9	Confident	93	Very high	80 Å²	80	68 Å²	68	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-68.4	-25.2	175.8	-67.3	177.4	0	0	0	112.8	P10 I11 I199	P10-L13 HydrophobicContact CB-CD1 4.16Å; P10-L13 HydrophobicContact CB-CG 4.19Å; P10-L13 HydrophobicContact CG-CD1 4.02Å; P10-L13 WeakPolarHBondContact O-CB 3.46Å; P10-L13 PolarHBondContact O-N 2.99Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.43Å; L13-I199 HydrophobicContact CB-CD1 4.09Å; L13-I199 HydrophobicContact CB-CG1 4.35Å
14	I	88.8	Confident	93.1	Very high	42 Å²	42	76.1 Å²	76.1	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-84.1	-40.3	178.3	-56.6	171.5	0	0	0	110.2	Y5 I9 I11 D12 I199	Y5-I14 HydrophobicContact CD1-CD1 3.96Å; Y5-I14 HydrophobicContact CD1-CG1 3.89Å; Y5-I14 HydrophobicContact CD2-CD1 3.97Å; Y5-I14 HydrophobicContact CD2-CG1 4.29Å; Y5-I14 HydrophobicContact CD2-CG2 4Å; Y5-I14 HydrophobicContact CE1-CG1 4.09Å; Y5-I14 HydrophobicContact CE2-CG1 4.47Å; Y5-I14 HydrophobicContact CE2-CG2 3.68Å; Y5-I14 HydrophobicContact CG-CD1 3.6Å; Y5-I14 HydrophobicContact CG-CG1 3.99Å; I9-I14 HydrophobicContact CB-CD1 4.16Å; I9-I14 HydrophobicContact CG2-CD1 3.75Å; I9-I14 HydrophobicContact CG2-CG1 3.73Å; I11-I14 HydrophobicContact CD1-CD1 4.43Å; I11-I14 PolarHBondContact O-N 3.32Å; I11-I14 VanDerWaalsContact O-N 3.14Å; D12-I14 PolarHBondContact O-N 2.87Å; I14-I199 HydrophobicContact CG1-CD1 4.03Å
15	T	89.8	Confident	92.7	Very high	86 Å²	86	78.1 Å²	78.1	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-97.9	-12.3	-170.4	59.6	0	0	0	0	114.5	I11 D12 Q17	I11-T15 HydrophobicContact CD1-CG2 3.9Å; I11-T15 HydrophobicContact CG1-CG2 3.96Å; I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 WeakPolarHBondContact O-CG2 3.3Å; I11-T15 PolarHBondContact O-N 2.76Å; I11-T15 PolarHBondContact O-OG1 3.27Å; D12-T15 PolarHBondContact O-N 3.22Å; T15-Q17 PolarHBondContact O-N 3.4Å
16	E	92.5	Very high	92.1	Very high	102 Å²	102	80.9 Å²	80.9	48%	0.477	42%	0.424	S	S	.	.			trans	-67.1	100.1	173.5	-173.1	175.1	-179.9	0	0	110.6	D12 F198	D12-E16 WeakPolarHBondContact O-CB 3.22Å; D12-E16 PolarHBondContact O-N 2.8Å; E16-F198 HydrophobicContact CB-CD2 4.47Å; E16-F198 HydrophobicContact CG-CD2 4.08Å; E16-F198 HydrophobicContact CG-CE2 3.92Å; E16-F198 WeakPolarHBondContact OE1-CE2 3.11Å
17	Q	94.5	Very high	91.6	Very high	76 Å²	76	81.6 Å²	81.6	36%	0.355	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-76.5	129.4	-178.1	-178.6	62.3	42.1	0	0	111.8	T15 E62 D196	T15-Q17 PolarHBondContact O-N 3.4Å; Q17-E62 HydrophobicContact CG-CG 3.5Å; Q17-E62 VanDerWaalsContact CG-CG 3.5Å; Q17-D196 CarbonylContact C-O 3.58Å; Q17-D196 WeakPolarHBondContact CA-O 3.35Å; Q17-D196 PolarHBondContact NE2-O 3.2Å; Q17-D196 PolarHBondContact NE2-OD1 2.86Å; Q17-D196 PolarHBondContact OE1-O 2.86Å
18	L	95.4	Very high	91.6	Very high	9 Å²	9	73.1 Å²	73.1	5%	0.047	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.2	172.5	-72.8	172.6	0	0	0	111.2	G20 F57 N60 R194 V195 D196 S197 F198	L18-G20 PolarHBondContact O-N 3.16Å; L18-F57 HydrophobicContact CD1-CD1 4.01Å; L18-F57 HydrophobicContact CD1-CE1 4.15Å; L18-F57 HydrophobicContact CD2-CE1 4.18Å; L18-N60 WeakPolarHBondContact CB-ND2 3.42Å; L18-N60 PolarHBondContact O-ND2 3.18Å; L18-R194 HydrophobicContact CD1-CB 3.9Å; L18-V195 WeakPolarHBondContact CD1-O 3.15Å; L18-D196 PolarHBondContact N-O 2.97Å; L18-S197 VanDerWaalsContact CD1-O 3.3Å; L18-S197 WeakPolarHBondContact CD1-O 3.45Å; L18-F198 HydrophobicContact CD2-CD1 4Å; L18-F198 HydrophobicContact CD2-CD2 4.17Å; L18-F198 HydrophobicContact CD2-CE1 3.57Å; L18-F198 HydrophobicContact CD2-CE2 3.76Å; L18-F198 HydrophobicContact CD2-CG 4.29Å; L18-F198 HydrophobicContact CD2-CZ 3.44Å; L18-F198 VanDerWaalsContact CD2-CZ 3.44Å
19	I	96.1	Very high	91.2	Very high	128 Å²	128	72.9 Å²	72.9	66%	0.656	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-61.8	120.7	176.3	-57.7	172.7	0	0	0	110.1	T34	I19-T34 HydrophobicContact CG2-CG2 4.15Å
20	G	96.1	Very high	90.4	Very high	11 Å²	11	76.5 Å²	76.5	11%	0.113	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-76.2	172.7	176	0	0	0	0	0	114.1	L18 N60 C63	L18-G20 PolarHBondContact O-N 3.16Å; G20-N60 WeakPolarHBondContact CA-OD1 3.41Å; G20-C63 WeakPolarHBondContact CA-SG 3.18Å
21	C	96	Very high	89.9	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.007	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-93.2	153.8	175	72.2	0	0	0	0	112.1	C28 C33 C63 V64	C21-C28 VanDerWaalsContact SG-SG 3.63Å; C21-C33 VanDerWaalsContact CB-SG 3.56Å; C21-C63 PolarHBondContact N-SG 3.48Å; C21-C63 WeakPolarHBondContact O-CA 3.34Å; C21-V64 PolarHBondContact O-N 3.47Å
22	T	95.3	Very high	89.7	Confident	109 Å²	109	81.2 Å²	81.2	67%	0.669	43%	0.429	S	S	*	.			trans	-99.3	22.7	173.4	59.3	0	0	0	0	112.1	E24	T22-E24 PolarHBondContact O-N 2.9Å
23	C	95.2	Very high	89.9	Confident	12 Å²	12	75.9 Å²	75.9	8%	0.081	40%	0.401	C	S	.	.			trans	-69.6	118.7	-178.2	-56	0	0	0	0	110.3	N25 N32 C33 C65	C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 2.84Å; C23-N32 PolarHBondContact SG-O 3.39Å; C23-C33 VanDerWaalsContact SG-CA 3.6Å; C23-C65 HydrophobicContact CB-CB 4.2Å; C23-C65 WeakPolarHBondContact O-CA 3.26Å; C23-C65 WeakPolarHBondContact O-CB 3.46Å; C23-C65 PolarHBondContact O-N 3.43Å
24	E	88.9	Confident	90.2	Very high	180 Å²	180	74.5 Å²	74.5	84%	0.841	40%	0.396	S	S	*	.			trans	-84.7	-1	177.6	-63	-178	-175.9	0	0	113.4	T22 V64	T22-E24 PolarHBondContact O-N 2.9Å; E24-V64 HydrophobicContact CG-CG1 4.35Å
25	N	80.5	Confident	90.5	Very high	100 Å²	100	72.6 Å²	72.6	54%	0.535	39%	0.386	S	S	.	.	S	Bend	trans	-76.4	158.4	179.5	-67.2	-42.9	0	0	0	112.2	C23 C27	C23-N25 VanDerWaalsContact C-N 3.28Å; C23-N25 PolarHBondContact O-N 2.84Å; N25-C27 WeakPolarHBondContact CB-O 3.44Å; N25-C27 PolarHBondContact O-N 3.2Å
26	I	81.9	Confident	90.8	Very high	130 Å²	130	68.9 Å²	68.9	67%	0.667	36%	0.363	S	S	*	.	S	Bend	trans	-57.6	-38.5	171.4	-60.8	174.4	0	0	0	110.5	C69	I26-C69 WeakPolarHBondContact O-CA 3.43Å
27	C	83.8	Confident	90.8	Very high	40 Å²	40	68.2 Å²	68.2	27%	0.27	37%	0.37	S	S	.	.	S	Bend	trans	-131.2	138	177.1	-168.7	0	0	0	0	111.3	N25 T70	N25-C27 WeakPolarHBondContact CB-O 3.44Å; N25-C27 PolarHBondContact O-N 3.2Å; C27-T70 PolarHBondContact SG-OG1 3.33Å
28	C	92	Very high	90.8	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.014	37%	0.37	C	S	.	.			trans	-70.3	146.9	171.7	-65.2	0	0	0	0	111.2	C21 C33 L36 C65	C21-C28 VanDerWaalsContact SG-SG 3.63Å; C28-C33 HydrophobicContact CB-CB 3.78Å; C28-C33 VanDerWaalsContact CB-SG 3.56Å; C28-L36 HydrophobicContact CB-CD1 3.76Å; C28-L36 HydrophobicContact CB-CG 4.42Å; C28-C65 VanDerWaalsContact SG-CB 3.54Å
29	L	87.5	Confident	90.6	Very high	105 Å²	105	68.8 Å²	68.8	55%	0.55	37%	0.373	S	S	.	.			trans	-125.2	151.9	170.7	-60.6	175.8	0	0	0	108.2	D31 N32 C33 L36	L29-D31 PolarHBondContact O-N 3.28Å; L29-N32 PolarHBondContact O-N 2.72Å; L29-C33 WeakPolarHBondContact O-CB 3.42Å; L29-C33 PolarHBondContact O-N 2.88Å; L29-L36 VanDerWaalsContact C-CD1 3.46Å
30	E	79.3	Confident	90.4	Very high	97 Å²	97	63.5 Å²	63.5	45%	0.453	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-54.6	-45.6	-168.1	-168.4	170	177	0	0	113.4	N32 C33 M41	E30-N32 PolarHBondContact O-N 2.7Å; E30-C33 PolarHBondContact O-N 3.04Å; E30-M41 HydrophobicContact CB-CG 4.01Å
31	D	83.1	Confident	90.2	Very high	152 Å²	152	67.1 Å²	67.1	81%	0.813	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-61.4	-19.6	-173.3	-65.4	-31.5	0	0	0	115	L29	L29-D31 PolarHBondContact O-N 3.28Å
32	N	86.6	Confident	90.2	Very high	128 Å²	128	67.1 Å²	67.1	68%	0.684	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-128.5	3.3	-171.3	-67.9	-47.8	0	0	0	114.3	C23 L29 E30	C23-N32 PolarHBondContact SG-O 3.39Å; L29-N32 PolarHBondContact O-N 2.72Å; E30-N32 PolarHBondContact O-N 2.7Å
33	C	95.3	Very high	90.2	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.02	33%	0.334	C	S	.	.			trans	-114	117.2	-171.9	-177.5	0	0	0	0	112.6	C21 C23 C28 L29 E30 C35 L36 S37	C21-C33 VanDerWaalsContact CB-SG 3.56Å; C23-C33 VanDerWaalsContact SG-CA 3.6Å; C28-C33 HydrophobicContact CB-CB 3.78Å; C28-C33 VanDerWaalsContact CB-SG 3.56Å; L29-C33 WeakPolarHBondContact O-CB 3.42Å; L29-C33 PolarHBondContact O-N 2.88Å; E30-C33 PolarHBondContact O-N 3.04Å; C33-C35 PolarHBondContact O-N 3.11Å; C33-C35 VanDerWaalsContact O-N 3.15Å; C33-C35 PolarHBondContact SG-N 3.48Å; C33-L36 HydrophobicContact CB-CB 3.96Å; C33-L36 HydrophobicContact CB-CD1 3.92Å; C33-L36 HydrophobicContact CB-CG 3.96Å; C33-L36 PolarHBondContact O-N 3.19Å; C33-S37 PolarHBondContact O-N 3.46Å
34	T	95.2	Very high	90.2	Very high	52 Å²	52	63.9 Å²	63.9	32%	0.319	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.8	175.2	-50.6	0	0	0	0	114.1	I19 S37 K38	I19-T34 HydrophobicContact CG2-CG2 4.15Å; T34-S37 PolarHBondContact O-OG 3.2Å; T34-S37 VanDerWaalsContact O-OG 3.04Å; T34-K38 PolarHBondContact O-NZ 3.15Å
35	C	96	Very high	90.4	Very high	2 Å²	2	63 Å²	63	1%	0.014	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-48.7	177.3	-56.8	0	0	0	0	110.7	C33 S37 K38 C63	C33-C35 PolarHBondContact O-N 3.11Å; C33-C35 VanDerWaalsContact O-N 3.15Å; C33-C35 PolarHBondContact SG-N 3.48Å; C35-S37 VanDerWaalsContact C-N 3.3Å; C35-S37 PolarHBondContact O-N 3.5Å; C35-K38 WeakPolarHBondContact O-CB 3.41Å; C35-K38 PolarHBondContact O-N 3.44Å; C35-K38 VanDerWaalsContact O-N 3.17Å; C35-C63 PolarHBondContact SG-SG 3.38Å
36	L	94.9	Very high	91.1	Very high	7 Å²	7	64 Å²	64	4%	0.037	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-66.9	-29.6	178.6	-62.3	176.1	0	0	0	112	C28 L29 C33 K38 S39 G40 N71	C28-L36 HydrophobicContact CB-CD1 3.76Å; C28-L36 HydrophobicContact CB-CG 4.42Å; L29-L36 VanDerWaalsContact C-CD1 3.46Å; C33-L36 HydrophobicContact CB-CB 3.96Å; C33-L36 HydrophobicContact CB-CD1 3.92Å; C33-L36 HydrophobicContact CB-CG 3.96Å; C33-L36 PolarHBondContact O-N 3.19Å; L36-K38 PolarHBondContact O-N 3.08Å; L36-S39 PolarHBondContact O-N 3.17Å; L36-S39 VanDerWaalsContact O-N 3.11Å; L36-G40 WeakPolarHBondContact CD2-O 3.34Å; L36-G40 VanDerWaalsContact O-CA 3.24Å; L36-G40 WeakPolarHBondContact O-CA 3.42Å; L36-G40 PolarHBondContact O-N 3.03Å; L36-N71 HydrophobicContact CD2-CB 4.11Å; L36-N71 WeakPolarHBondContact CD2-ND2 3.01Å
37	S	94.1	Very high	91.7	Very high	89 Å²	89	58.6 Å²	58.6	62%	0.622	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62	-16	175.3	70.2	0	0	0	0	114.2	C33 T34 C35	C33-S37 PolarHBondContact O-N 3.46Å; T34-S37 PolarHBondContact O-OG 3.2Å; T34-S37 VanDerWaalsContact O-OG 3.04Å; C35-S37 VanDerWaalsContact C-N 3.3Å; C35-S37 PolarHBondContact O-N 3.5Å
38	K	93	Very high	92.4	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-88.1	-24.5	176.3	-59.1	-179.1	-179.6	72.2	0	113.9	T34 C35 L36 F57	T34-K38 PolarHBondContact O-NZ 3.15Å; C35-K38 WeakPolarHBondContact O-CB 3.41Å; C35-K38 PolarHBondContact O-N 3.44Å; C35-K38 VanDerWaalsContact O-N 3.17Å; L36-K38 PolarHBondContact O-N 3.08Å; K38-F57 HydrophobicContact CB-CB 3.97Å; K38-F57 HydrophobicContact CB-CD1 4.24Å; K38-F57 HydrophobicContact CB-CD2 3.53Å; K38-F57 HydrophobicContact CB-CE2 3.99Å; K38-F57 HydrophobicContact CB-CG 3.65Å; K38-F57 HydrophobicContact CD-CB 4.26Å; K38-F57 HydrophobicContact CD-CD1 3.51Å; K38-F57 HydrophobicContact CD-CD2 4.34Å; K38-F57 HydrophobicContact CD-CE1 3.8Å; K38-F57 HydrophobicContact CD-CG 3.79Å; K38-F57 HydrophobicContact CD-CZ 4.33Å; K38-F57 HydrophobicContact CG-CG 4.37Å
39	S	91.7	Very high	92.7	Very high	14 Å²	14	57.9 Å²	57.9	10%	0.098	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	0.7	-172.1	52.8	0	0	0	0	115.3	L36 S42 P55 F57	L36-S39 PolarHBondContact O-N 3.17Å; L36-S39 VanDerWaalsContact O-N 3.11Å; S39-S42 PolarHBondContact O-OG 2.72Å; S39-P55 WeakPolarHBondContact CB-O 3.36Å; S39-F57 PolarHBondContact OG-N 2.88Å; S39-F57 VanDerWaalsContact OG-N 3.08Å
40	G	92.4	Very high	93.1	Very high	17 Å²	17	56.2 Å²	56.2	18%	0.175	31%	0.309	C	S	.	.			trans	64.5	-169.1	-168.4	0	0	0	0	0	113.1	L36 S42	L36-G40 WeakPolarHBondContact CD2-O 3.34Å; L36-G40 VanDerWaalsContact O-CA 3.24Å; L36-G40 WeakPolarHBondContact O-CA 3.42Å; L36-G40 PolarHBondContact O-N 3.03Å; G40-S42 VanDerWaalsContact C-N 3.35Å; G40-S42 PolarHBondContact O-N 2.79Å
41	M	92.2	Very high	93.8	Very high	86 Å²	86	53.8 Å²	53.8	42%	0.424	30%	0.299	S	S	.	.	S	Bend	trans	-71.2	86.4	169.6	-67.2	-160.3	67.2	0	0	111.7	E30 Y43 T50	E30-M41 HydrophobicContact CB-CG 4.01Å; M41-Y43 VanDerWaalsContact C-N 3.34Å; M41-Y43 PolarHBondContact O-N 2.73Å; M41-T50 PolarHBondContact O-OG1 3.25Å
42	S	95.4	Very high	94.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	27%	0.267	C	S	.	.			trans	-71.2	-25.6	-178.7	-67	0	0	0	0	114.2	S39 G40 L49 T50	S39-S42 PolarHBondContact O-OG 2.72Å; G40-S42 VanDerWaalsContact C-N 3.35Å; G40-S42 PolarHBondContact O-N 2.79Å; S42-L49 WeakPolarHBondContact O-CA 3.41Å; S42-L49 WeakPolarHBondContact O-CD1 3.34Å; S42-T50 PolarHBondContact O-N 3.19Å; S42-T50 PolarHBondContact O-OG1 3.47Å; S42-T50 VanDerWaalsContact O-OG1 3.09Å
43	Y	96.1	Very high	94.7	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.02	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-122.9	145.7	-180	-52.6	-66.6	0	0	0	111.5	M41 L48 L49 V56 E58 V73 F205	M41-Y43 VanDerWaalsContact C-N 3.34Å; M41-Y43 PolarHBondContact O-N 2.73Å; Y43-L48 CarbonylContact C-O 3.56Å; Y43-L48 WeakPolarHBondContact CA-O 3.42Å; Y43-L49 HydrophobicContact CD1-CB 4.38Å; Y43-L49 HydrophobicContact CD1-CD1 4.12Å; Y43-L49 HydrophobicContact CE1-CB 4.41Å; Y43-L49 HydrophobicContact CE1-CD1 3.71Å; Y43-V56 HydrophobicContact CE2-CG1 3.74Å; Y43-E58 HydrophobicContact CE2-CG 4.11Å; Y43-E58 PolarHBondContact OH-OE1 2.87Å; Y43-V73 HydrophobicContact CD1-CB 4.36Å; Y43-V73 HydrophobicContact CD1-CG2 3.71Å; Y43-V73 HydrophobicContact CD2-CG2 3.74Å; Y43-V73 HydrophobicContact CE1-CB 4.01Å; Y43-V73 HydrophobicContact CE1-CG1 4.46Å; Y43-V73 HydrophobicContact CE1-CG2 3.88Å; Y43-V73 HydrophobicContact CE2-CB 4.14Å; Y43-V73 HydrophobicContact CE2-CG2 3.86Å; Y43-V73 HydrophobicContact CG-CG2 3.65Å; Y43-F205 AromaticContact CE1-CE1 3.84Å; Y43-F205 HydrophobicContact CE1-CE1 3.84Å; Y43-F205 AromaticContact CE1-CZ 3.81Å; Y43-F205 HydrophobicContact CE1-CZ 3.81Å
44	D	95.1	Very high	94.6	Very high	48 Å²	48	51.8 Å²	51.8	26%	0.257	29%	0.291	S	S	.	.			trans	-77.2	-178.9	167.9	78.6	3.9	0	0	0	112	N46 G47 L48 T50	D44-N46 PolarHBondContact O-N 3.24Å; D44-N46 VanDerWaalsContact O-N 3.17Å; D44-N46 WeakPolarHBondContact OD1-CA 3.34Å; D44-N46 WeakPolarHBondContact OD1-CB 3.3Å; D44-N46 PolarHBondContact OD1-N 2.93Å; D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 PolarHBondContact OD1-N 3.1Å; D44-G47 VanDerWaalsContact OD1-N 3.09Å; D44-L48 PolarHBondContact N-O 3.11Å; D44-L48 PolarHBondContact OD1-N 2.89Å; D44-T50 HydrophobicContact CB-CG2 3.89Å
45	M	93.1	Very high	94.7	Very high	161 Å²	161	51.1 Å²	51.1	79%	0.793	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.8	179.6	64.3	-169.5	-72.8	0	0	114.5
46	N	94.4	Very high	94.8	Very high	123 Å²	123	51 Å²	51	66%	0.658	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.2	177.3	-57.3	-51.3	0	0	0	112.3	D44 L48	D44-N46 PolarHBondContact O-N 3.24Å; D44-N46 VanDerWaalsContact O-N 3.17Å; D44-N46 WeakPolarHBondContact OD1-CA 3.34Å; D44-N46 WeakPolarHBondContact OD1-CB 3.3Å; D44-N46 PolarHBondContact OD1-N 2.93Å; N46-L48 HydrophobicContact CB-CG 4.29Å
47	G	95.1	Very high	94.9	Very high	15 Å²	15	52 Å²	52	16%	0.155	29%	0.29	C	S	.	.	S	Bend	trans	79.9	15.1	-176.4	0	0	0	0	0	114	D44	D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 PolarHBondContact OD1-N 3.1Å; D44-G47 VanDerWaalsContact OD1-N 3.09Å
48	L	97.7	Very high	95.1	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.131	26%	0.261	C	S	.	.			trans	-83.9	132.2	175.4	-56.5	177.9	0	0	0	110	Y43 D44 N46 T50 Q112 G114 E115	Y43-L48 CarbonylContact C-O 3.56Å; Y43-L48 WeakPolarHBondContact CA-O 3.42Å; D44-L48 PolarHBondContact N-O 3.11Å; D44-L48 PolarHBondContact OD1-N 2.89Å; N46-L48 HydrophobicContact CB-CG 4.29Å; L48-T50 PolarHBondContact O-N 3.11Å; L48-Q112 HydrophobicContact CD2-CB 4.37Å; L48-G114 CarbonylContact C-O 3.58Å; L48-G114 WeakPolarHBondContact CA-O 3.44Å; L48-E115 HydrophobicContact CD2-CB 3.86Å; L48-E115 HydrophobicContact CD2-CG 4.3Å
49	L	98.2	Very high	95.3	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-61.4	126.2	175.2	-171.1	79.5	0	0	0	110.7	S42 Y43 N51 F52 V56 G114 V191 F205	S42-L49 WeakPolarHBondContact O-CA 3.41Å; S42-L49 WeakPolarHBondContact O-CD1 3.34Å; Y43-L49 HydrophobicContact CD1-CB 4.38Å; Y43-L49 HydrophobicContact CD1-CD1 4.12Å; Y43-L49 HydrophobicContact CE1-CB 4.41Å; Y43-L49 HydrophobicContact CE1-CD1 3.71Å; L49-N51 WeakPolarHBondContact CD1-O 3.45Å; L49-N51 WeakPolarHBondContact CD2-O 3.4Å; L49-N51 VanDerWaalsContact CG-O 3.29Å; L49-N51 WeakPolarHBondContact CG-O 3.23Å; L49-F52 HydrophobicContact CB-CZ 4.46Å; L49-F52 HydrophobicContact CD2-CD1 3.74Å; L49-F52 HydrophobicContact CD2-CE1 3.9Å; L49-F52 HydrophobicContact CD2-CG 4.09Å; L49-F52 HydrophobicContact CD2-CZ 4.38Å; L49-F52 VanDerWaalsContact O-CE2 3.31Å; L49-F52 WeakPolarHBondContact O-CE2 3.41Å; L49-F52 WeakPolarHBondContact O-CZ 3.43Å; L49-V56 HydrophobicContact CD1-CG2 3.95Å; L49-G114 WeakPolarHBondContact CB-O 3.4Å; L49-G114 PolarHBondContact N-O 2.77Å; L49-G114 WeakPolarHBondContact O-CA 3.37Å; L49-V191 HydrophobicContact CD2-CG2 3.79Å; L49-F205 HydrophobicContact CB-CB 4.47Å; L49-F205 HydrophobicContact CB-CD1 3.74Å; L49-F205 HydrophobicContact CB-CE1 4.09Å; L49-F205 HydrophobicContact CB-CG 4.1Å; L49-F205 HydrophobicContact CD1-CZ 4.47Å; L49-F205 HydrophobicContact CD2-CB 3.88Å; L49-F205 HydrophobicContact CD2-CD1 4.25Å; L49-F205 HydrophobicContact CD2-CD2 3.88Å; L49-F205 HydrophobicContact CD2-CE2 4.46Å; L49-F205 HydrophobicContact CD2-CG 3.75Å; L49-F205 HydrophobicContact CG-CD1 4.47Å; L49-F205 HydrophobicContact CG-CG 4.44Å
50	T	96.6	Very high	95.5	Very high	69 Å²	69	43.3 Å²	43.3	42%	0.423	24%	0.24	S	C	.	.			trans	-100.2	-35.3	-179.5	56.6	0	0	0	0	111.9	M41 S42 D44 L48	M41-T50 PolarHBondContact O-OG1 3.25Å; S42-T50 PolarHBondContact O-N 3.19Å; S42-T50 PolarHBondContact O-OG1 3.47Å; S42-T50 VanDerWaalsContact O-OG1 3.09Å; D44-T50 HydrophobicContact CB-CG2 3.89Å; L48-T50 PolarHBondContact O-N 3.11Å
51	N	94.5	Very high	95.6	Very high	46 Å²	46	45.8 Å²	45.8	25%	0.246	26%	0.255	C	S	.	.			trans	-109.1	117.9	178.2	-173.4	-10.6	0	0	0	110.8	L49 V53 D54	L49-N51 WeakPolarHBondContact CD1-O 3.45Å; L49-N51 WeakPolarHBondContact CD2-O 3.4Å; L49-N51 VanDerWaalsContact CG-O 3.29Å; L49-N51 WeakPolarHBondContact CG-O 3.23Å; N51-V53 PolarHBondContact OD1-N 3.27Å; N51-D54 PolarHBondContact ND2-OD2 3.5Å; N51-D54 PolarHBondContact OD1-N 3.46Å
52	F	95.5	Very high	95.8	Very high	36 Å²	36	47.5 Å²	47.5	16%	0.158	26%	0.262	C	S	.	.	S	Bend	trans	-100.1	3.1	-176	-66.1	-99.5	0	0	0	113.2	L49 R113 A206 N207	L49-F52 HydrophobicContact CB-CZ 4.46Å; L49-F52 HydrophobicContact CD2-CD1 3.74Å; L49-F52 HydrophobicContact CD2-CE1 3.9Å; L49-F52 HydrophobicContact CD2-CG 4.09Å; L49-F52 HydrophobicContact CD2-CZ 4.38Å; L49-F52 VanDerWaalsContact O-CE2 3.31Å; L49-F52 WeakPolarHBondContact O-CE2 3.41Å; L49-F52 WeakPolarHBondContact O-CZ 3.43Å; F52-R113 HydrophobicContact CZ-CG 4.03Å; F52-A206 WeakPolarHBondContact CE1-O 3.48Å; F52-N207 HydrophobicContact CD1-CB 4.16Å; F52-N207 HydrophobicContact CE1-CB 4.15Å
53	V	92.3	Very high	95.8	Very high	126 Å²	126	48.2 Å²	48.2	76%	0.764	27%	0.266	S	S	*	.	S	Bend	trans	-106.4	-49	-172.3	-179.9	0	0	0	0	111	N51	N51-V53 PolarHBondContact OD1-N 3.27Å
54	D	93.8	Very high	95.8	Very high	80 Å²	80	52.4 Å²	52.4	43%	0.428	29%	0.292	S	S	.	.	S	Bend	trans	-86.4	150.8	-172.4	-61.4	-47.6	0	0	0	112.3	N51	N51-D54 PolarHBondContact ND2-OD2 3.5Å; N51-D54 PolarHBondContact OD1-N 3.46Å
55	P	96.4	Very high	95.8	Very high	38 Å²	38	50.3 Å²	50.3	25%	0.247	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.7	148.7	170.8	29.4	-34.7	0	0	0	110.6	S39 P192	S39-P55 WeakPolarHBondContact CB-O 3.36Å; P55-P192 WeakPolarHBondContact CA-O 3.39Å; P55-P192 HydrophobicContact CB-CB 4.23Å; P55-P192 HydrophobicContact CB-CG 4.36Å
56	V	97.9	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.9	-179.5	-178.6	0	0	0	0	110.3	Y43 L49 E58 V191 P192 V193 R194	Y43-V56 HydrophobicContact CE2-CG1 3.74Å; L49-V56 HydrophobicContact CD1-CG2 3.95Å; V56-E58 HydrophobicContact CG1-CG 4.25Å; V56-V191 HydrophobicContact CG2-CG1 3.8Å; V56-P192 PolarHBondContact N-O 3.33Å; V56-V193 HydrophobicContact CB-CB 4.48Å; V56-V193 HydrophobicContact CB-CG1 4.19Å; V56-V193 HydrophobicContact CB-CG2 4.1Å; V56-V193 HydrophobicContact CG1-CG1 4.29Å; V56-V193 HydrophobicContact CG2-CG2 4.47Å; V56-V193 WeakPolarHBondContact O-CA 3.23Å; V56-R194 PolarHBondContact O-N 3.15Å
57	F	97.3	Very high	95.8	Very high	27 Å²	27	45.1 Å²	45.1	12%	0.118	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104.4	167.7	-72.7	-99	0	0	0	109.1	L18 K38 S39 N71 R194	L18-F57 HydrophobicContact CD1-CD1 4.01Å; L18-F57 HydrophobicContact CD1-CE1 4.15Å; L18-F57 HydrophobicContact CD2-CE1 4.18Å; K38-F57 HydrophobicContact CB-CB 3.97Å; K38-F57 HydrophobicContact CB-CD1 4.24Å; K38-F57 HydrophobicContact CB-CD2 3.53Å; K38-F57 HydrophobicContact CB-CE2 3.99Å; K38-F57 HydrophobicContact CB-CG 3.65Å; K38-F57 HydrophobicContact CD-CB 4.26Å; K38-F57 HydrophobicContact CD-CD1 3.51Å; K38-F57 HydrophobicContact CD-CD2 4.34Å; K38-F57 HydrophobicContact CD-CE1 3.8Å; K38-F57 HydrophobicContact CD-CG 3.79Å; K38-F57 HydrophobicContact CD-CZ 4.33Å; K38-F57 HydrophobicContact CG-CG 4.37Å; S39-F57 PolarHBondContact OG-N 2.88Å; S39-F57 VanDerWaalsContact OG-N 3.08Å; F57-N71 PolarHBondContact O-ND2 2.57Å; F57-R194 HydrophobicContact CD1-CB 3.85Å; F57-R194 HydrophobicContact CE1-CB 4Å; F57-R194 HydrophobicContact CE1-CG 4.31Å; F57-R194 HydrophobicContact CG-CB 4.44Å
58	E	97.7	Very high	95.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	27%	0.27	C	S	.	.			trans	-72.9	159.4	175.6	-73.3	-166.6	166.3	0	0	111.7	Y43 V56 N71 R72 V73 V74 Q75 V193 R194 V195	Y43-E58 HydrophobicContact CE2-CG 4.11Å; Y43-E58 PolarHBondContact OH-OE1 2.87Å; V56-E58 HydrophobicContact CG1-CG 4.25Å; E58-N71 WeakPolarHBondContact CA-ND2 3.39Å; E58-N71 WeakPolarHBondContact CA-O 3.23Å; E58-N71 WeakPolarHBondContact CB-O 3.36Å; E58-R72 WeakPolarHBondContact OE2-CA 3.5Å; E58-V73 WeakPolarHBondContact OE1-CA 3.47Å; E58-V73 PolarHBondContact OE1-N 2.72Å; E58-V74 PolarHBondContact OE1-N 3.14Å; E58-Q75 PolarHBondContact OE2-N 3.28Å; E58-Q75 PolarHBondContact OE2-NE2 3.23Å; E58-V193 HydrophobicContact CG-CG1 3.71Å; E58-R194 PolarHBondContact N-O 3.44Å; E58-V195 HydrophobicContact CB-CG2 4.25Å
59	C	96.8	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.264	C	S	.	.			trans	-64.7	139.3	162.9	-67.7	0	0	0	0	108.5	C63 C65 N71 R72 Q75	C59-C63 HydrophobicContact CB-CB 4.28Å; C59-C65 VanDerWaalsContact CB-SG 3.6Å; C59-C65 VanDerWaalsContact SG-SG 3.62Å; C59-N71 PolarHBondContact N-ND2 2.83Å; C59-N71 VanDerWaalsContact N-ND2 3.12Å; C59-N71 PolarHBondContact N-O 2.83Å; C59-R72 HydrophobicContact CB-CG 4.09Å; C59-R72 PolarHBondContact O-NH1 3.14Å; C59-Q75 PolarHBondContact O-NE2 3.41Å; C59-Q75 PolarHBondContact O-OE1 3.5Å
60	N	96	Very high	95.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.011	27%	0.274	C	S	.	.			trans	-124.2	-166.8	-165.1	66.9	18.4	0	0	0	112.8	L18 G20 E62 C63 R72 V195 D196	L18-N60 WeakPolarHBondContact CB-ND2 3.42Å; L18-N60 PolarHBondContact O-ND2 3.18Å; G20-N60 WeakPolarHBondContact CA-OD1 3.41Å; N60-E62 VanDerWaalsContact C-N 3.29Å; N60-E62 PolarHBondContact O-N 2.98Å; N60-E62 PolarHBondContact OD1-N 3.37Å; N60-E62 VanDerWaalsContact OD1-N 3.11Å; N60-C63 PolarHBondContact N-SG 3.08Å; N60-C63 WeakPolarHBondContact O-CB 3.47Å; N60-C63 PolarHBondContact O-N 3.48Å; N60-C63 PolarHBondContact OD1-N 2.97Å; N60-C63 PolarHBondContact OD1-SG 3.39Å; N60-R72 PolarHBondContact O-NH1 2.91Å; N60-R72 VanDerWaalsContact O-NH1 3.14Å; N60-R72 PolarHBondContact O-NH2 3.41Å; N60-V195 HydrophobicContact CB-CG1 4.04Å; N60-V195 WeakPolarHBondContact CB-O 3.35Å; N60-V195 PolarHBondContact ND2-O 3.16Å; N60-V195 VanDerWaalsContact ND2-O 3.1Å; N60-D196 WeakPolarHBondContact CB-OD1 3.44Å
61	S	95	Very high	95.2	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.2	-177.9	58.9	0	0	0	0	113.8	C63 D196	S61-C63 VanDerWaalsContact C-N 3.29Å; S61-C63 PolarHBondContact O-N 3.32Å; S61-D196 VanDerWaalsContact CB-OD1 3.23Å; S61-D196 WeakPolarHBondContact CB-OD1 3.44Å; S61-D196 PolarHBondContact N-OD1 2.93Å; S61-D196 PolarHBondContact OG-OD1 2.95Å
62	E	96	Very high	95.3	Very high	122 Å²	122	42.7 Å²	42.7	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	3.8	176.6	-65.3	-59.9	134.2	0	0	113.2	Q17 N60	Q17-E62 HydrophobicContact CG-CG 3.5Å; Q17-E62 VanDerWaalsContact CG-CG 3.5Å; N60-E62 VanDerWaalsContact C-N 3.29Å; N60-E62 PolarHBondContact O-N 2.98Å; N60-E62 PolarHBondContact OD1-N 3.37Å; N60-E62 VanDerWaalsContact OD1-N 3.11Å
63	C	96.4	Very high	95.3	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.108	24%	0.239	C	C	.	.			trans	-85	139.1	178	-67.2	0	0	0	0	112.4	G20 C21 C35 C59 N60 S61	G20-C63 WeakPolarHBondContact CA-SG 3.18Å; C21-C63 PolarHBondContact N-SG 3.48Å; C21-C63 WeakPolarHBondContact O-CA 3.34Å; C35-C63 PolarHBondContact SG-SG 3.38Å; C59-C63 HydrophobicContact CB-CB 4.28Å; N60-C63 PolarHBondContact N-SG 3.08Å; N60-C63 WeakPolarHBondContact O-CB 3.47Å; N60-C63 PolarHBondContact O-N 3.48Å; N60-C63 PolarHBondContact OD1-N 2.97Å; N60-C63 PolarHBondContact OD1-SG 3.39Å; S61-C63 VanDerWaalsContact C-N 3.29Å; S61-C63 PolarHBondContact O-N 3.32Å
64	V	95.6	Very high	95.5	Very high	92 Å²	92	35.4 Å²	35.4	56%	0.558	20%	0.202	S	C	*	.			trans	-75.2	-26.4	171.4	178.4	0	0	0	0	112.1	C21 E24	C21-V64 PolarHBondContact O-N 3.47Å; E24-V64 HydrophobicContact CG-CG1 4.35Å
65	C	95.7	Very high	95.6	Very high	5 Å²	5	33 Å²	33	3%	0.034	19%	0.188	C	C	.	.	S	Bend	trans	-62	154.7	-175.5	73.4	0	0	0	0	112.7	C23 C28 C59	C23-C65 HydrophobicContact CB-CB 4.2Å; C23-C65 WeakPolarHBondContact O-CA 3.26Å; C23-C65 WeakPolarHBondContact O-CB 3.46Å; C23-C65 PolarHBondContact O-N 3.43Å; C28-C65 VanDerWaalsContact SG-CB 3.54Å; C59-C65 VanDerWaalsContact CB-SG 3.6Å; C59-C65 VanDerWaalsContact SG-SG 3.62Å
66	S	94.5	Very high	95.4	Very high	49 Å²	49	34.3 Å²	34.3	34%	0.343	19%	0.19	S	C	.	.			trans	-54	145.8	-178.1	-172.2	0	0	0	0	113.4	S68 C69 R72	S66-S68 WeakPolarHBondContact CB-OG 3.39Å; S66-S68 PolarHBondContact O-N 2.81Å; S66-S68 PolarHBondContact OG-N 2.92Å; S66-S68 VanDerWaalsContact OG-N 3.15Å; S66-S68 PolarHBondContact OG-OG 3.12Å; S66-C69 WeakPolarHBondContact O-CB 3.45Å; S66-C69 PolarHBondContact O-N 2.85Å; S66-R72 PolarHBondContact O-NE 3.29Å
67	Q	92.8	Very high	95.1	Very high	126 Å²	126	34.9 Å²	34.9	59%	0.589	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.3	167.3	-65.3	-63.7	0.3	0	0	112.7	C69	Q67-C69 VanDerWaalsContact C-N 3.3Å
68	S	92.5	Very high	94.8	Very high	62 Å²	62	34 Å²	34	43%	0.434	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.1	172.5	66.4	0	0	0	0	114	S66 T70 K76	S66-S68 WeakPolarHBondContact CB-OG 3.39Å; S66-S68 PolarHBondContact O-N 2.81Å; S66-S68 PolarHBondContact OG-N 2.92Å; S66-S68 VanDerWaalsContact OG-N 3.15Å; S66-S68 PolarHBondContact OG-OG 3.12Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-K76 PolarHBondContact O-NZ 2.93Å
69	C	94.2	Very high	94.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.209	C	C	.	.			trans	-48	139	180	178.8	0	0	0	0	111.9	I26 S66 Q67 N71 R72 K76	I26-C69 WeakPolarHBondContact O-CA 3.43Å; S66-C69 WeakPolarHBondContact O-CB 3.45Å; S66-C69 PolarHBondContact O-N 2.85Å; Q67-C69 VanDerWaalsContact C-N 3.3Å; C69-N71 PolarHBondContact O-N 3.37Å; C69-N71 PolarHBondContact SG-N 3.21Å; C69-R72 HydrophobicContact CB-CG 4.38Å; C69-K76 PolarHBondContact O-NZ 3.45Å
70	T	93.4	Very high	93.8	Very high	36 Å²	36	41 Å²	41	22%	0.221	23%	0.226	C	C	.	.	S	Bend	trans	-67.8	-24.6	-179.7	59.2	0	0	0	0	112.4	C27 S68 R72 V73	C27-T70 PolarHBondContact SG-OG1 3.33Å; S68-T70 PolarHBondContact O-N 2.89Å; T70-R72 PolarHBondContact O-N 2.86Å; T70-V73 WeakPolarHBondContact O-CG2 3.36Å
71	N	95.7	Very high	92.8	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.23	C	C	.	.	S	Bend	trans	-79.5	46.5	174.8	-164	40.1	0	0	0	113.2	L36 F57 E58 C59 C69	L36-N71 HydrophobicContact CD2-CB 4.11Å; L36-N71 WeakPolarHBondContact CD2-ND2 3.01Å; F57-N71 PolarHBondContact O-ND2 2.57Å; E58-N71 WeakPolarHBondContact CA-ND2 3.39Å; E58-N71 WeakPolarHBondContact CA-O 3.23Å; E58-N71 WeakPolarHBondContact CB-O 3.36Å; C59-N71 PolarHBondContact N-ND2 2.83Å; C59-N71 VanDerWaalsContact N-ND2 3.12Å; C59-N71 PolarHBondContact N-O 2.83Å; C69-N71 PolarHBondContact O-N 3.37Å; C69-N71 PolarHBondContact SG-N 3.21Å
72	R	95.9	Very high	91.7	Very high	3 Å²	3	44 Å²	44	1%	0.011	23%	0.234	C	C	.	.			trans	-147.4	31	-179.5	-63.5	-172.4	178.5	-90.5	4.9	111.9	E58 C59 N60 S66 C69 T70 Q75 K76	E58-R72 WeakPolarHBondContact OE2-CA 3.5Å; C59-R72 HydrophobicContact CB-CG 4.09Å; C59-R72 PolarHBondContact O-NH1 3.14Å; N60-R72 PolarHBondContact O-NH1 2.91Å; N60-R72 VanDerWaalsContact O-NH1 3.14Å; N60-R72 PolarHBondContact O-NH2 3.41Å; S66-R72 PolarHBondContact O-NE 3.29Å; C69-R72 HydrophobicContact CB-CG 4.38Å; T70-R72 PolarHBondContact O-N 2.86Å; R72-Q75 HydrophobicContact CB-CB 4.39Å; R72-K76 WeakPolarHBondContact O-CB 3.36Å; R72-K76 WeakPolarHBondContact O-CD 3.41Å; R72-K76 VanDerWaalsContact O-CG 3.23Å; R72-K76 WeakPolarHBondContact O-CG 3.36Å; R72-K76 PolarHBondContact O-N 3.38Å
73	V	96.3	Very high	90.1	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-48.1	-171.3	178.3	0	0	0	0	111.8	Y43 E58 T70 K76 Y77 L116 F205	Y43-V73 HydrophobicContact CD1-CB 4.36Å; Y43-V73 HydrophobicContact CD1-CG2 3.71Å; Y43-V73 HydrophobicContact CD2-CG2 3.74Å; Y43-V73 HydrophobicContact CE1-CB 4.01Å; Y43-V73 HydrophobicContact CE1-CG1 4.46Å; Y43-V73 HydrophobicContact CE1-CG2 3.88Å; Y43-V73 HydrophobicContact CE2-CB 4.14Å; Y43-V73 HydrophobicContact CE2-CG2 3.86Å; Y43-V73 HydrophobicContact CG-CG2 3.65Å; E58-V73 WeakPolarHBondContact OE1-CA 3.47Å; E58-V73 PolarHBondContact OE1-N 2.72Å; T70-V73 WeakPolarHBondContact O-CG2 3.36Å; V73-K76 PolarHBondContact O-N 3.01Å; V73-Y77 PolarHBondContact O-N 2.95Å; V73-L116 HydrophobicContact CG1-CB 3.98Å; V73-L116 HydrophobicContact CG1-CD2 3.93Å; V73-F205 HydrophobicContact CG1-CE1 4.45Å
74	V	95.9	Very high	88	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-41.6	178.8	173.2	0	0	0	0	110.8	E58 K76 Y77 L78 L116 V119 V193 Y201 A203 F205	E58-V74 PolarHBondContact OE1-N 3.14Å; V74-K76 PolarHBondContact O-N 3.45Å; V74-Y77 WeakPolarHBondContact O-CB 3.49Å; V74-Y77 PolarHBondContact O-N 3.25Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.22Å; V74-L78 VanDerWaalsContact O-CG 3.24Å; V74-L78 WeakPolarHBondContact O-CG 3.5Å; V74-L78 PolarHBondContact O-N 3.27Å; V74-L116 HydrophobicContact CG2-CD2 3.99Å; V74-V119 HydrophobicContact CG1-CG2 4.02Å; V74-V193 HydrophobicContact CB-CG1 4.11Å; V74-V193 HydrophobicContact CG2-CB 3.98Å; V74-V193 HydrophobicContact CG2-CG1 3.8Å; V74-V193 HydrophobicContact CG2-CG2 3.86Å; V74-Y201 HydrophobicContact CG1-CD2 4.22Å; V74-Y201 HydrophobicContact CG1-CG 4.11Å; V74-A203 HydrophobicContact CG2-CB 3.82Å; V74-F205 HydrophobicContact CG2-CZ 4.3Å
75	Q	94.8	Very high	86	Confident	28 Å²	28	52 Å²	52	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-46.1	174.1	-76.8	162.8	87.9	0	0	112.5	E58 C59 R72 Y77 L78 I79 V195	E58-Q75 PolarHBondContact OE2-N 3.28Å; E58-Q75 PolarHBondContact OE2-NE2 3.23Å; C59-Q75 PolarHBondContact O-NE2 3.41Å; C59-Q75 PolarHBondContact O-OE1 3.5Å; R72-Q75 HydrophobicContact CB-CB 4.39Å; Q75-Y77 VanDerWaalsContact C-N 3.33Å; Q75-Y77 PolarHBondContact O-N 2.93Å; Q75-L78 PolarHBondContact O-N 3.01Å; Q75-L78 VanDerWaalsContact O-N 3.16Å; Q75-I79 WeakPolarHBondContact O-CG1 3.48Å; Q75-I79 PolarHBondContact O-N 3.48Å; Q75-V195 HydrophobicContact CG-CG1 3.68Å; Q75-V195 HydrophobicContact CG-CG2 4Å
76	K	93.2	Very high	83.9	Confident	67 Å²	67	59.8 Å²	59.8	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.8	-73.5	167.4	179.8	171.4	0	111.1	S68 C69 R72 V73 V74 L78 I79 D80	S68-K76 PolarHBondContact O-NZ 2.93Å; C69-K76 PolarHBondContact O-NZ 3.45Å; R72-K76 WeakPolarHBondContact O-CB 3.36Å; R72-K76 WeakPolarHBondContact O-CD 3.41Å; R72-K76 VanDerWaalsContact O-CG 3.23Å; R72-K76 WeakPolarHBondContact O-CG 3.36Å; R72-K76 PolarHBondContact O-N 3.38Å; V73-K76 PolarHBondContact O-N 3.01Å; V74-K76 PolarHBondContact O-N 3.45Å; K76-L78 PolarHBondContact O-N 2.79Å; K76-I79 PolarHBondContact O-N 2.84Å; K76-D80 PolarHBondContact O-N 2.86Å
77	Y	91.9	Very high	82	Confident	12 Å²	12	57.9 Å²	57.9	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-46.6	173.2	175.6	-79.5	0	0	0	112.5	V73 V74 Q75 I79 D80 A81 Y89 L116 C118 V119	V73-Y77 PolarHBondContact O-N 2.95Å; V74-Y77 WeakPolarHBondContact O-CB 3.49Å; V74-Y77 PolarHBondContact O-N 3.25Å; Q75-Y77 VanDerWaalsContact C-N 3.33Å; Q75-Y77 PolarHBondContact O-N 2.93Å; Y77-I79 VanDerWaalsContact C-N 3.35Å; Y77-I79 PolarHBondContact O-N 3.27Å; Y77-D80 PolarHBondContact O-N 2.93Å; Y77-A81 HydrophobicContact CE1-CB 4.47Å; Y77-A81 WeakPolarHBondContact O-CB 3.37Å; Y77-A81 PolarHBondContact O-N 3.23Å; Y77-Y89 AromaticContact CD2-CD1 3.41Å; Y77-Y89 HydrophobicContact CD2-CD1 3.41Å; Y77-Y89 VanDerWaalsContact CD2-CD1 3.41Å; Y77-Y89 HydrophobicContact CD2-CD2 4.13Å; Y77-Y89 HydrophobicContact CD2-CE1 4.02Å; Y77-Y89 AromaticContact CD2-CG 3.46Å; Y77-Y89 HydrophobicContact CD2-CG 3.46Å; Y77-Y89 VanDerWaalsContact CD2-CG 3.46Å; Y77-Y89 AromaticContact CE2-CD1 3.97Å; Y77-Y89 HydrophobicContact CE2-CD1 3.97Å; Y77-Y89 AromaticContact CE2-CG 3.93Å; Y77-Y89 HydrophobicContact CE2-CG 3.93Å; Y77-Y89 HydrophobicContact CG-CD1 4.46Å; Y77-Y89 HydrophobicContact CG-CG 4.34Å; Y77-L116 VanDerWaalsContact CB-CD2 3.47Å; Y77-L116 HydrophobicContact CD2-CD2 3.82Å; Y77-L116 HydrophobicContact CD2-CG 4.02Å; Y77-L116 HydrophobicContact CG-CD2 3.74Å; Y77-L116 HydrophobicContact CG-CG 4.4Å; Y77-C118 WeakPolarHBondContact OH-CA 3.36Å; Y77-V119 HydrophobicContact CD1-CB 4.3Å; Y77-V119 HydrophobicContact CD1-CG2 3.53Å; Y77-V119 HydrophobicContact CE1-CB 3.99Å; Y77-V119 HydrophobicContact CE1-CG2 3.67Å; Y77-V119 HydrophobicContact CG-CG2 4.26Å
78	L	90.3	Very high	80.2	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-69.7	-30.3	-176.7	-68.2	170.1	0	0	0	113.4	M1 V74 Q75 K76 V119 L121 Y201	M1-L78 HydrophobicContact CB-CD2 4.46Å; M1-L78 PolarHBondContact N-O 3.36Å; M1-L78 VanDerWaalsContact N-O 3.1Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.22Å; V74-L78 VanDerWaalsContact O-CG 3.24Å; V74-L78 WeakPolarHBondContact O-CG 3.5Å; V74-L78 PolarHBondContact O-N 3.27Å; Q75-L78 PolarHBondContact O-N 3.01Å; Q75-L78 VanDerWaalsContact O-N 3.16Å; K76-L78 PolarHBondContact O-N 2.79Å; L78-V119 HydrophobicContact CD2-CB 4.42Å; L78-V119 HydrophobicContact CD2-CG1 4.47Å; L78-V119 HydrophobicContact CD2-CG2 4.39Å; L78-L121 HydrophobicContact CD2-CD1 3.84Å; L78-L121 HydrophobicContact CD2-CD2 3.85Å; L78-L121 HydrophobicContact CD2-CG 4.4Å; L78-Y201 HydrophobicContact CD1-CD1 3.87Å; L78-Y201 HydrophobicContact CD1-CD2 4.2Å; L78-Y201 HydrophobicContact CD1-CE1 3.41Å; L78-Y201 VanDerWaalsContact CD1-CE1 3.41Å; L78-Y201 HydrophobicContact CD1-CE2 3.8Å; L78-Y201 HydrophobicContact CD1-CG 4.23Å; L78-Y201 HydrophobicContact CD2-CE1 4.29Å
79	I	89	Confident	78.6	Confident	85 Å²	85	57.8 Å²	57.8	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-70.2	-52.4	173.2	-70.7	166.3	0	0	0	109.1	Q75 K76 Y77 A81 E82 F83	Q75-I79 WeakPolarHBondContact O-CG1 3.48Å; Q75-I79 PolarHBondContact O-N 3.48Å; K76-I79 PolarHBondContact O-N 2.84Å; Y77-I79 VanDerWaalsContact C-N 3.35Å; Y77-I79 PolarHBondContact O-N 3.27Å; I79-A81 PolarHBondContact O-N 2.9Å; I79-E82 PolarHBondContact O-N 2.89Å; I79-F83 HydrophobicContact CG2-CD2 4.01Å; I79-F83 HydrophobicContact CG2-CE2 3.95Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.33Å; I79-F83 PolarHBondContact O-N 3.46Å
80	D	83.7	Confident	77.3	Confident	66 Å²	66	59.9 Å²	59.9	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-32.7	-178.7	-71.5	-13	0	0	0	112.7	K76 Y77 E82 T84 S87 Y89	K76-D80 PolarHBondContact O-N 2.86Å; Y77-D80 PolarHBondContact O-N 2.93Å; D80-E82 VanDerWaalsContact C-N 3.31Å; D80-E82 PolarHBondContact O-N 2.96Å; D80-T84 PolarHBondContact O-N 3.17Å; D80-T84 PolarHBondContact O-OG1 3.5Å; D80-S87 WeakPolarHBondContact O-CB 3.49Å; D80-Y89 HydrophobicContact CB-CD2 3.98Å; D80-Y89 HydrophobicContact CB-CE2 4.35Å; D80-Y89 VanDerWaalsContact OD2-CE2 3.27Å; D80-Y89 WeakPolarHBondContact OD2-CE2 3.29Å
81	A	76.9	Confident	76.5	Confident	12 Å²	12	62 Å²	62	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-27.8	175.8	0	0	0	0	0	114.1	Y77 I79 H90	Y77-A81 HydrophobicContact CE1-CB 4.47Å; Y77-A81 WeakPolarHBondContact O-CB 3.37Å; Y77-A81 PolarHBondContact O-N 3.23Å; I79-A81 PolarHBondContact O-N 2.9Å; A81-H90 VanDerWaalsContact CB-CE1 3.5Å; A81-H90 WeakPolarHBondContact CB-CE1 3.41Å
82	E	72.1	Confident	76.3	Confident	122 Å²	122	63.2 Å²	63.2	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-83.5	-35.8	-178.1	-173.6	167.9	-179.2	0	0	112.2	M1 I79 D80	M1-E82 PolarHBondContact N-OE2 3.35Å; I79-E82 PolarHBondContact O-N 2.89Å; D80-E82 VanDerWaalsContact C-N 3.31Å; D80-E82 PolarHBondContact O-N 2.96Å
83	F	61.8	Low	76.2	Confident	166 Å²	166	63.6 Å²	63.6	73%	0.728	31%	0.307	S	S	*	.	H	α-helix	trans	-86.8	-24.5	-176.6	-70.4	-71.7	0	0	0	114.3	I79	I79-F83 HydrophobicContact CG2-CD2 4.01Å; I79-F83 HydrophobicContact CG2-CE2 3.95Å; I79-F83 VanDerWaalsContact O-CD2 3.23Å; I79-F83 WeakPolarHBondContact O-CD2 3.33Å; I79-F83 PolarHBondContact O-N 3.46Å
84	T	52.7	Low	76	Confident	61 Å²	61	65.1 Å²	65.1	37%	0.374	32%	0.318	S	S	.	.			trans	-141.6	112.2	-171.5	-5.8	0	0	0	0	111.7	D80 E86 S87	D80-T84 PolarHBondContact O-N 3.17Å; D80-T84 PolarHBondContact O-OG1 3.5Å; T84-E86 HydrophobicContact CG2-CB 4.32Å; T84-E86 PolarHBondContact O-N 3.49Å; T84-E86 VanDerWaalsContact O-N 3.15Å; T84-S87 PolarHBondContact O-N 3.43Å
85	F	53	Low	75.9	Confident	170 Å²	170	67.4 Å²	67.4	75%	0.746	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.8	163.3	-77.8	-80	0	0	0	112.3	V173	F85-V173 HydrophobicContact CE1-CG1 4.28Å
86	E	50.5	Low	75.8	Confident	168 Å²	168	67 Å²	67	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	22	178.6	-59.8	-177.9	170.2	0	0	113.4	T84	T84-E86 HydrophobicContact CG2-CB 4.32Å; T84-E86 PolarHBondContact O-N 3.49Å; T84-E86 VanDerWaalsContact O-N 3.15Å
87	S	55.4	Low	75.7	Confident	9 Å²	9	70 Å²	70	6%	0.063	35%	0.35	C	S	.	.			trans	-65.8	155.6	178.7	70.6	0	0	0	0	112.1	D80 T84 Y89 H90 T91	D80-S87 WeakPolarHBondContact O-CB 3.49Å; T84-S87 PolarHBondContact O-N 3.43Å; S87-Y89 PolarHBondContact O-N 2.93Å; S87-Y89 VanDerWaalsContact O-N 3.16Å; S87-H90 PolarHBondContact O-N 3.38Å; S87-H90 PolarHBondContact OG-ND1 2.89Å; S87-H90 VanDerWaalsContact OG-ND1 3.12Å; S87-T91 WeakPolarHBondContact O-CG2 3.47Å; S87-T91 PolarHBondContact O-N 3.07Å; S87-T91 VanDerWaalsContact O-N 3.09Å; S87-T91 PolarHBondContact O-OG1 3.17Å
88	E	55.9	Low	75.4	Confident	132 Å²	132	73 Å²	73	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-51.8	-40.8	177.3	-168.1	-171.5	151.2	0	0	111.1	H90 T91 K92	E88-H90 PolarHBondContact O-N 3.09Å; E88-T91 WeakPolarHBondContact CA-OG1 3.45Å; E88-T91 PolarHBondContact O-N 3.05Å; E88-T91 PolarHBondContact O-OG1 2.91Å; E88-K92 VanDerWaalsContact O-CG 3.26Å; E88-K92 WeakPolarHBondContact O-CG 3.32Å; E88-K92 PolarHBondContact O-N 3.45Å; E88-K92 WeakPolarHBondContact OE1-CE 3.36Å; E88-K92 IonicContact OE1-NZ 3.1Å; E88-K92 PolarHBondContact OE1-NZ 2.72Å
89	Y	57.9	Low	75	Confident	54 Å²	54	78.8 Å²	78.8	21%	0.212	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-36.3	176.5	-68.2	-67.3	0	0	0	114.1	Y77 D80 S87 T91	Y77-Y89 AromaticContact CD2-CD1 3.41Å; Y77-Y89 HydrophobicContact CD2-CD1 3.41Å; Y77-Y89 VanDerWaalsContact CD2-CD1 3.41Å; Y77-Y89 HydrophobicContact CD2-CD2 4.13Å; Y77-Y89 HydrophobicContact CD2-CE1 4.02Å; Y77-Y89 AromaticContact CD2-CG 3.46Å; Y77-Y89 HydrophobicContact CD2-CG 3.46Å; Y77-Y89 VanDerWaalsContact CD2-CG 3.46Å; Y77-Y89 AromaticContact CE2-CD1 3.97Å; Y77-Y89 HydrophobicContact CE2-CD1 3.97Å; Y77-Y89 AromaticContact CE2-CG 3.93Å; Y77-Y89 HydrophobicContact CE2-CG 3.93Å; Y77-Y89 HydrophobicContact CG-CD1 4.46Å; Y77-Y89 HydrophobicContact CG-CG 4.34Å; D80-Y89 HydrophobicContact CB-CD2 3.98Å; D80-Y89 HydrophobicContact CB-CE2 4.35Å; D80-Y89 VanDerWaalsContact OD2-CE2 3.27Å; D80-Y89 WeakPolarHBondContact OD2-CE2 3.29Å; S87-Y89 PolarHBondContact O-N 2.93Å; S87-Y89 VanDerWaalsContact O-N 3.16Å; Y89-T91 VanDerWaalsContact C-N 3.34Å
90	H	66.3	Low	74.7	Confident	46 Å²	46	79.6 Å²	79.6	21%	0.213	41%	0.411	C	S	.	.	H	α-helix	trans	-76.1	-22.9	177.1	-85	93.4	0	0	0	113.3	A81 S87 E88	A81-H90 VanDerWaalsContact CB-CE1 3.5Å; A81-H90 WeakPolarHBondContact CB-CE1 3.41Å; S87-H90 PolarHBondContact O-N 3.38Å; S87-H90 PolarHBondContact OG-ND1 2.89Å; S87-H90 VanDerWaalsContact OG-ND1 3.12Å; E88-H90 PolarHBondContact O-N 3.09Å
91	T	78.1	Confident	74.7	Confident	80 Å²	80	78.2 Å²	78.2	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-88	-19.3	-176	58.4	0	0	0	0	113.7	S87 E88 Y89 T93 A108	S87-T91 WeakPolarHBondContact O-CG2 3.47Å; S87-T91 PolarHBondContact O-N 3.07Å; S87-T91 VanDerWaalsContact O-N 3.09Å; S87-T91 PolarHBondContact O-OG1 3.17Å; E88-T91 WeakPolarHBondContact CA-OG1 3.45Å; E88-T91 PolarHBondContact O-N 3.05Å; E88-T91 PolarHBondContact O-OG1 2.91Å; Y89-T91 VanDerWaalsContact C-N 3.34Å; T91-T93 PolarHBondContact O-N 3.26Å; T91-A108 VanDerWaalsContact O-CB 3.25Å; T91-A108 WeakPolarHBondContact O-CB 3.03Å
92	K	90.7	Very high	75.2	Confident	30 Å²	30	78.5 Å²	78.5	13%	0.13	41%	0.407	C	S	.	.	S	Bend	trans	-70.2	-9.9	177.8	-51.8	-154.1	-179.6	-168.3	0	114.6	E88 A108 I111 E115	E88-K92 VanDerWaalsContact O-CG 3.26Å; E88-K92 WeakPolarHBondContact O-CG 3.32Å; E88-K92 PolarHBondContact O-N 3.45Å; E88-K92 WeakPolarHBondContact OE1-CE 3.36Å; E88-K92 IonicContact OE1-NZ 3.1Å; E88-K92 PolarHBondContact OE1-NZ 2.72Å; K92-A108 PolarHBondContact O-N 3.15Å; K92-I111 HydrophobicContact CB-CD1 4.49Å; K92-E115 WeakPolarHBondContact CD-OE1 3.34Å; K92-E115 VanDerWaalsContact CE-OE1 3.29Å; K92-E115 WeakPolarHBondContact CE-OE1 3.47Å; K92-E115 IonicContact NZ-OE1 2.85Å; K92-E115 PolarHBondContact NZ-OE1 2.83Å
93	T	93.4	Very high	76.2	Confident	10 Å²	10	78.6 Å²	78.6	6%	0.061	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.7	179.5	71	0	0	0	0	111.7	T91 K106 V117 L216	T91-T93 PolarHBondContact O-N 3.26Å; T93-K106 WeakPolarHBondContact CA-O 3.1Å; T93-V117 HydrophobicContact CG2-CG1 3.71Å; T93-L216 HydrophobicContact CG2-CD1 3.58Å
94	C	93.1	Very high	77.8	Confident	42 Å²	42	70.7 Å²	70.7	28%	0.284	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.8	171.5	61.5	0	0	0	0	111	L105 K106 A108	C94-L105 WeakPolarHBondContact O-CA 3.25Å; C94-K106 PolarHBondContact N-O 2.97Å; C94-K106 PolarHBondContact O-N 3.11Å; C94-K106 WeakPolarHBondContact SG-CE 3.48Å; C94-K106 WeakPolarHBondContact SG-CG 3.34Å; C94-A108 HydrophobicContact CB-CB 4.39Å
95	V	93.4	Very high	79.8	Confident	49 Å²	49	67.8 Å²	67.8	30%	0.297	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.3	178.3	178.1	0	0	0	0	109.1	G104 L105 L179	V95-G104 WeakPolarHBondContact CA-O 3.45Å; V95-L105 HydrophobicContact CB-CD2 4.48Å; V95-L105 HydrophobicContact CG2-CD2 3.85Å; V95-L179 HydrophobicContact CG1-CD1 4.27Å; V95-L179 HydrophobicContact CG2-CD1 3.93Å
96	T	93.3	Very high	81.8	Confident	19 Å²	19	63.2 Å²	63.2	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.2	171.5	57.2	0	0	0	0	110.2	R103 G104 K106 Q215	T96-R103 CarbonylContact O-C 3.57Å; T96-R103 VanDerWaalsContact O-CA 3.26Å; T96-R103 WeakPolarHBondContact O-CA 3.4Å; T96-G104 PolarHBondContact N-O 3.36Å; T96-G104 PolarHBondContact O-N 3.15Å; T96-G104 WeakPolarHBondContact OG1-CA 3.46Å; T96-G104 PolarHBondContact OG1-O 2.75Å; T96-K106 HydrophobicContact CG2-CB 3.62Å; T96-K106 HydrophobicContact CG2-CD 3.3Å; T96-K106 HydrophobicContact CG2-CG 3.31Å; T96-Q215 PolarHBondContact OG1-OE1 2.9Å
97	D	91.3	Very high	84.1	Confident	131 Å²	131	55.3 Å²	55.3	70%	0.701	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	116	167	-71.4	-67.2	0	0	0	108.2	R103	D97-R103 WeakPolarHBondContact OD1-CG 3.23Å
98	H	84.8	Confident	86	Confident	73 Å²	73	56.5 Å²	56.5	34%	0.338	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.9	175	-173.7	-76.9	0	0	0	109.8	V100 M101 G102	H98-V100 VanDerWaalsContact C-N 3.27Å; H98-V100 PolarHBondContact ND1-N 2.95Å; H98-V100 VanDerWaalsContact ND1-N 3.11Å; H98-V100 PolarHBondContact O-N 2.8Å; H98-V100 VanDerWaalsContact O-N 3.13Å; H98-M101 HydrophobicContact CB-CB 4.08Å; H98-M101 HydrophobicContact CB-CE 4.26Å; H98-M101 WeakPolarHBondContact CD2-CE 3.36Å; H98-M101 PolarHBondContact ND1-N 3.48Å; H98-M101 VanDerWaalsContact ND1-N 3.14Å; H98-M101 WeakPolarHBondContact NE2-CE 3.38Å; H98-G102 WeakPolarHBondContact CB-O 3.5Å; H98-G102 PolarHBondContact N-O 3.18Å; H98-G102 WeakPolarHBondContact O-CA 3.23Å; H98-G102 PolarHBondContact O-N 2.99Å
99	P	81	Confident	87.9	Confident	130 Å²	130	52.3 Å²	52.3	84%	0.844	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-37.5	-174.6	-27.6	34.3	0	0	0	114.7
100	V	83.9	Confident	89.8	Confident	101 Å²	101	55.2 Å²	55.2	61%	0.612	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-52.5	-178	-164.5	0	0	0	0	112.9	H98 G102 L237	H98-V100 VanDerWaalsContact C-N 3.27Å; H98-V100 PolarHBondContact ND1-N 2.95Å; H98-V100 VanDerWaalsContact ND1-N 3.11Å; H98-V100 PolarHBondContact O-N 2.8Å; H98-V100 VanDerWaalsContact O-N 3.13Å; V100-G102 PolarHBondContact O-N 3.37Å; V100-L237 HydrophobicContact CB-CD1 4Å; V100-L237 HydrophobicContact CG1-CD1 3.34Å
101	M	83.4	Confident	91.3	Very high	38 Å²	38	53.1 Å²	53.1	19%	0.187	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.4	177.6	-59.6	-177.7	-75.8	0	0	113.9	H98 R143 L237	H98-M101 HydrophobicContact CB-CB 4.08Å; H98-M101 HydrophobicContact CB-CE 4.26Å; H98-M101 WeakPolarHBondContact CD2-CE 3.36Å; H98-M101 PolarHBondContact ND1-N 3.48Å; H98-M101 VanDerWaalsContact ND1-N 3.14Å; H98-M101 WeakPolarHBondContact NE2-CE 3.38Å; M101-R143 VanDerWaalsContact O-CZ 3.27Å; M101-R143 PolarHBondContact O-NH1 2.88Å; M101-R143 PolarHBondContact O-NH2 2.98Å; M101-L237 HydrophobicContact CG-CB 3.99Å; M101-L237 HydrophobicContact CG-CD1 3.88Å; M101-L237 HydrophobicContact SD-CB 4.18Å
102	G	88	Confident	92.3	Very high	17 Å²	17	54.4 Å²	54.4	18%	0.175	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.5	-141.7	-170.4	0	0	0	0	0	112.4	H98 V100 R143	H98-G102 WeakPolarHBondContact CB-O 3.5Å; H98-G102 PolarHBondContact N-O 3.18Å; H98-G102 WeakPolarHBondContact O-CA 3.23Å; H98-G102 PolarHBondContact O-N 2.99Å; V100-G102 PolarHBondContact O-N 3.37Å; G102-R143 VanDerWaalsContact CA-NH2 3.29Å
103	R	92.6	Very high	92.6	Very high	124 Å²	124	59.1 Å²	59.1	47%	0.468	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	142	-175.4	-71.1	179.4	78.5	-174.3	3.8	112.4	T96 D97 L179 N181	T96-R103 CarbonylContact O-C 3.57Å; T96-R103 VanDerWaalsContact O-CA 3.26Å; T96-R103 WeakPolarHBondContact O-CA 3.4Å; D97-R103 WeakPolarHBondContact OD1-CG 3.23Å; R103-L179 HydrophobicContact CB-CD2 4.32Å; R103-N181 PolarHBondContact O-ND2 3.2Å
104	G	94.3	Very high	92.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	179	179.6	0	0	0	0	0	111.6	V95 T96 L179	V95-G104 WeakPolarHBondContact CA-O 3.45Å; T96-G104 PolarHBondContact N-O 3.36Å; T96-G104 PolarHBondContact O-N 3.15Å; T96-G104 WeakPolarHBondContact OG1-CA 3.46Å; T96-G104 PolarHBondContact OG1-O 2.75Å; G104-L179 VanDerWaalsContact CA-O 3.31Å; G104-L179 WeakPolarHBondContact CA-O 3.4Å
105	L	95.2	Very high	93.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144	163.3	-63.4	-171.2	0	0	0	111.1	C94 V95 K176 L179 I180 Q215 L216	C94-L105 WeakPolarHBondContact O-CA 3.25Å; V95-L105 HydrophobicContact CB-CD2 4.48Å; V95-L105 HydrophobicContact CG2-CD2 3.85Å; L105-K176 HydrophobicContact CD1-CB 3.99Å; L105-K176 WeakPolarHBondContact CD1-O 3.47Å; L105-K176 HydrophobicContact CD2-CB 4.05Å; L105-L179 HydrophobicContact CD2-CB 4.34Å; L105-L179 HydrophobicContact CD2-CD1 4.33Å; L105-L179 HydrophobicContact CG-CB 4.25Å; L105-I180 HydrophobicContact CB-CG1 4.21Å; L105-I180 HydrophobicContact CD1-CD1 4.08Å; L105-I180 HydrophobicContact CD1-CG1 3.68Å; L105-I180 HydrophobicContact CG-CG1 4.04Å; L105-Q215 VanDerWaalsContact N-NE2 3.19Å; L105-Q215 PolarHBondContact O-NE2 2.71Å; L105-L216 HydrophobicContact CB-CB 4.31Å; L105-L216 HydrophobicContact CB-CD1 4.05Å; L105-L216 WeakPolarHBondContact O-CB 3.4Å; L105-L216 PolarHBondContact O-N 2.92Å
106	K	95.9	Very high	93.3	Very high	75 Å²	75	55.4 Å²	55.4	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.1	166	70.9	-179.8	173.8	176.3	0	110.9	T93 C94 T96 A108 T214	T93-K106 WeakPolarHBondContact CA-O 3.1Å; C94-K106 PolarHBondContact N-O 2.97Å; C94-K106 PolarHBondContact O-N 3.11Å; C94-K106 WeakPolarHBondContact SG-CE 3.48Å; C94-K106 WeakPolarHBondContact SG-CG 3.34Å; T96-K106 HydrophobicContact CG2-CB 3.62Å; T96-K106 HydrophobicContact CG2-CD 3.3Å; T96-K106 HydrophobicContact CG2-CG 3.31Å; K106-A108 PolarHBondContact O-N 2.88Å; K106-T214 CarbonylContact C-O 3.54Å; K106-T214 VanDerWaalsContact CA-O 3.23Å; K106-T214 WeakPolarHBondContact CA-O 3.31Å; K106-T214 WeakPolarHBondContact CB-O 3.31Å
107	A	97.2	Very high	93.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.4	169.9	0	0	0	0	0	109.9	C109 I111 I210 G213 T214 L216	A107-C109 WeakPolarHBondContact CB-O 3.41Å; A107-I111 HydrophobicContact CB-CD1 3.86Å; A107-I111 HydrophobicContact CB-CG1 4.36Å; A107-I210 HydrophobicContact CB-CG2 3.82Å; A107-G213 PolarHBondContact O-N 2.93Å; A107-T214 PolarHBondContact N-O 3.5Å; A107-L216 HydrophobicContact CB-CD2 4.39Å
108	A	96	Very high	93.5	Very high	34 Å²	34	48.7 Å²	48.7	28%	0.281	25%	0.25	S	C	.	.	S	Bend	trans	-92.5	-9.3	176.2	0	0	0	0	0	112.6	T91 K92 C94 K106	T91-A108 VanDerWaalsContact O-CB 3.25Å; T91-A108 WeakPolarHBondContact O-CB 3.03Å; K92-A108 PolarHBondContact O-N 3.15Å; C94-A108 HydrophobicContact CB-CB 4.39Å; K106-A108 PolarHBondContact O-N 2.88Å
109	C	96.4	Very high	94	Very high	45 Å²	45	45.2 Å²	45.2	30%	0.304	23%	0.234	S	C	.	.	S	Bend	trans	-149.9	177.3	171.1	58	0	0	0	0	108.5	A107	A107-C109 WeakPolarHBondContact CB-O 3.41Å
110	E	97.7	Very high	94.5	Very high	115 Å²	115	39.3 Å²	39.3	54%	0.537	19%	0.194	S	C	.	.			trans	-66.7	134.8	170.1	-172.6	173.9	108.8	0	0	110.8	V209 I210	E110-V209 HydrophobicContact CG-CG1 4.05Å; E110-I210 WeakPolarHBondContact CA-O 3.38Å
111	I	97.9	Very high	94.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-117.8	130.4	178.2	-57.3	172	0	0	0	108.5	K92 A107 E115 V117 A206 V209 I210 L216	K92-I111 HydrophobicContact CB-CD1 4.49Å; A107-I111 HydrophobicContact CB-CD1 3.86Å; A107-I111 HydrophobicContact CB-CG1 4.36Å; I111-E115 HydrophobicContact CG2-CB 3.86Å; I111-E115 HydrophobicContact CG2-CG 4.26Å; I111-V117 HydrophobicContact CD1-CG1 4.17Å; I111-V117 HydrophobicContact CD1-CG2 4.19Å; I111-V117 HydrophobicContact CG2-CG2 3.79Å; I111-A206 HydrophobicContact CG2-CB 3.77Å; I111-V209 WeakPolarHBondContact O-CA 3.47Å; I111-I210 HydrophobicContact CB-CB 4.16Å; I111-I210 PolarHBondContact N-O 3.34Å; I111-I210 PolarHBondContact O-N 3.43Å; I111-L216 HydrophobicContact CD1-CD2 4.44Å
112	Q	98	Very high	95.3	Very high	108 Å²	108	33.6 Å²	33.6	51%	0.505	16%	0.163	S	C	.	.			trans	-76.7	153.4	-178.4	-64	-177.6	56.6	0	0	111.7	L48 G114 E115 A206	L48-Q112 HydrophobicContact CD2-CB 4.37Å; Q112-G114 PolarHBondContact O-N 3.38Å; Q112-E115 HydrophobicContact CB-CB 4.39Å; Q112-E115 PolarHBondContact N-OE2 2.99Å; Q112-E115 WeakPolarHBondContact O-CB 2.92Å; Q112-E115 PolarHBondContact O-N 3.3Å; Q112-E115 VanDerWaalsContact O-N 3.15Å; Q112-A206 VanDerWaalsContact O-CB 3.29Å; Q112-A206 WeakPolarHBondContact O-CB 3.3Å
113	R	98.5	Very high	95.6	Very high	128 Å²	128	33.3 Å²	33.3	48%	0.483	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	133.7	169.5	178.2	177.7	176	-83	2.6	109.6	F52 E115 N207	F52-R113 HydrophobicContact CZ-CG 4.03Å; R113-E115 VanDerWaalsContact C-N 3.29Å; R113-N207 WeakPolarHBondContact CD-O 3.34Å; R113-N207 PolarHBondContact NE-O 3.02Å
114	G	98.5	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-7.2	-177.5	0	0	0	0	0	113.4	L48 L49 Q112 F205 A206	L48-G114 CarbonylContact C-O 3.58Å; L48-G114 WeakPolarHBondContact CA-O 3.44Å; L49-G114 WeakPolarHBondContact CB-O 3.4Å; L49-G114 PolarHBondContact N-O 2.77Å; L49-G114 WeakPolarHBondContact O-CA 3.37Å; Q112-G114 PolarHBondContact O-N 3.38Å; G114-F205 WeakPolarHBondContact O-CD1 3.45Å; G114-A206 PolarHBondContact N-O 3.19Å
115	E	97.8	Very high	95.9	Very high	18 Å²	18	27.8 Å²	27.8	8%	0.084	14%	0.137	C	C	.	.			trans	-72.8	137.4	-178.9	-164.7	176.9	152.1	0	0	111.6	L48 K92 I111 Q112 R113 V117 F205 A206	L48-E115 HydrophobicContact CD2-CB 3.86Å; L48-E115 HydrophobicContact CD2-CG 4.3Å; K92-E115 WeakPolarHBondContact CD-OE1 3.34Å; K92-E115 VanDerWaalsContact CE-OE1 3.29Å; K92-E115 WeakPolarHBondContact CE-OE1 3.47Å; K92-E115 IonicContact NZ-OE1 2.85Å; K92-E115 PolarHBondContact NZ-OE1 2.83Å; I111-E115 HydrophobicContact CG2-CB 3.86Å; I111-E115 HydrophobicContact CG2-CG 4.26Å; Q112-E115 HydrophobicContact CB-CB 4.39Å; Q112-E115 PolarHBondContact N-OE2 2.99Å; Q112-E115 WeakPolarHBondContact O-CB 2.92Å; Q112-E115 PolarHBondContact O-N 3.3Å; Q112-E115 VanDerWaalsContact O-N 3.15Å; R113-E115 VanDerWaalsContact C-N 3.29Å; E115-V117 PolarHBondContact O-N 2.76Å; E115-F205 CarbonylContact O-C 3.55Å; E115-F205 WeakPolarHBondContact O-CA 3.25Å; E115-A206 PolarHBondContact O-N 3.27Å
116	L	97.2	Very high	96	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118.7	172.4	177.9	58.4	0	0	0	109.7	V73 V74 Y77 V119 A203 F205	V73-L116 HydrophobicContact CG1-CB 3.98Å; V73-L116 HydrophobicContact CG1-CD2 3.93Å; V74-L116 HydrophobicContact CG2-CD2 3.99Å; Y77-L116 VanDerWaalsContact CB-CD2 3.47Å; Y77-L116 HydrophobicContact CD2-CD2 3.82Å; Y77-L116 HydrophobicContact CD2-CG 4.02Å; Y77-L116 HydrophobicContact CG-CD2 3.74Å; Y77-L116 HydrophobicContact CG-CG 4.4Å; L116-V119 HydrophobicContact CD1-CG2 4.44Å; L116-A203 HydrophobicContact CD1-CB 3.86Å; L116-F205 HydrophobicContact CB-CD1 3.93Å; L116-F205 HydrophobicContact CB-CE1 3.61Å; L116-F205 HydrophobicContact CB-CZ 4.31Å; L116-F205 HydrophobicContact CD1-CD1 4.27Å; L116-F205 HydrophobicContact CD1-CD2 4.48Å; L116-F205 HydrophobicContact CD1-CE1 3.95Å; L116-F205 HydrophobicContact CD1-CE2 4.17Å; L116-F205 HydrophobicContact CD1-CZ 3.88Å; L116-F205 HydrophobicContact CG-CE1 4.28Å
117	V	96	Very high	96	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-47.2	-177.4	-177.9	0	0	0	0	111.4	T93 I111 E115 L188 L204 A206 L216	T93-V117 HydrophobicContact CG2-CG1 3.71Å; I111-V117 HydrophobicContact CD1-CG1 4.17Å; I111-V117 HydrophobicContact CD1-CG2 4.19Å; I111-V117 HydrophobicContact CG2-CG2 3.79Å; E115-V117 PolarHBondContact O-N 2.76Å; V117-L188 HydrophobicContact CB-CD2 4.03Å; V117-L188 HydrophobicContact CG1-CD2 4.37Å; V117-L188 HydrophobicContact CG2-CD2 3.64Å; V117-L204 PolarHBondContact N-O 3.31Å; V117-A206 HydrophobicContact CG2-CB 4.06Å; V117-L216 HydrophobicContact CG1-CD1 3.82Å
118	C	93.5	Very high	96	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.4	176.4	57	0	0	0	0	112.1	Y77 A177 I180 L204	Y77-C118 WeakPolarHBondContact OH-CA 3.36Å; C118-A177 HydrophobicContact CB-CB 4.13Å; C118-I180 WeakPolarHBondContact SG-CD1 3.33Å; C118-L204 PolarHBondContact N-O 3.07Å; C118-L204 PolarHBondContact O-N 2.71Å
119	V	94.1	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.5	168.8	-175.7	0	0	0	0	108.4	V74 Y77 L78 L116 L121 S175 Y201 A203	V74-V119 HydrophobicContact CG1-CG2 4.02Å; Y77-V119 HydrophobicContact CD1-CB 4.3Å; Y77-V119 HydrophobicContact CD1-CG2 3.53Å; Y77-V119 HydrophobicContact CE1-CB 3.99Å; Y77-V119 HydrophobicContact CE1-CG2 3.67Å; Y77-V119 HydrophobicContact CG-CG2 4.26Å; L78-V119 HydrophobicContact CD2-CB 4.42Å; L78-V119 HydrophobicContact CD2-CG1 4.47Å; L78-V119 HydrophobicContact CD2-CG2 4.39Å; L116-V119 HydrophobicContact CD1-CG2 4.44Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 HydrophobicContact CB-CD2 4.22Å; V119-L121 HydrophobicContact CB-CG 4.08Å; V119-L121 HydrophobicContact CG1-CD2 3.6Å; V119-L121 HydrophobicContact CG1-CG 3.94Å; V119-L121 PolarHBondContact O-N 2.81Å; V119-S175 PolarHBondContact O-OG 3.4Å; V119-Y201 HydrophobicContact CG1-CD1 4Å; V119-Y201 HydrophobicContact CG1-CG 4.44Å; V119-A203 HydrophobicContact CG2-CB 4.47Å
120	Y	93.5	Very high	96.1	Very high	6 Å²	6	37 Å²	37	2%	0.024	17%	0.168	C	C	.	.			trans	-76	86.8	175.8	-157.4	-81.6	0	0	0	109.7	F145 M147 V163 A177 R178 L202	Y120-F145 VanDerWaalsContact OH-C 3.26Å; Y120-F145 PolarHBondContact OH-O 2.91Å; Y120-M147 HydrophobicContact CD1-CB 3.81Å; Y120-M147 HydrophobicContact CD1-CE 4.35Å; Y120-M147 HydrophobicContact CD1-SD 4.15Å; Y120-M147 HydrophobicContact CD2-CE 3.22Å; Y120-M147 HydrophobicContact CD2-SD 4.02Å; Y120-M147 HydrophobicContact CE1-CB 3.63Å; Y120-M147 HydrophobicContact CE2-CB 4.35Å; Y120-M147 HydrophobicContact CE2-CE 3.66Å; Y120-M147 HydrophobicContact CG-CB 4.27Å; Y120-M147 HydrophobicContact CG-CE 3.61Å; Y120-M147 HydrophobicContact CG-SD 3.74Å; Y120-V163 HydrophobicContact CD1-CB 4.23Å; Y120-V163 HydrophobicContact CD1-CG1 4.01Å; Y120-V163 HydrophobicContact CE1-CG1 4.43Å; Y120-A177 HydrophobicContact CD2-CB 3.94Å; Y120-A177 HydrophobicContact CG-CB 4.44Å; Y120-R178 VanDerWaalsContact CE2-CA 3.5Å; Y120-R178 HydrophobicContact CE2-CB 4.25Å; Y120-L202 PolarHBondContact N-O 3.48Å
121	L	91.6	Very high	96	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	16%	0.158	C	C	.	.			trans	-92.6	144	-177.6	-59.4	169	0	0	0	111.1	M1 L3 L78 V119 Y201	M1-L121 HydrophobicContact CG-CD1 4.38Å; M1-L121 HydrophobicContact SD-CD1 3.56Å; M1-L121 VanDerWaalsContact SD-CD1 3.56Å; L3-L121 HydrophobicContact CD2-CD2 4.44Å; L78-L121 HydrophobicContact CD2-CD1 3.84Å; L78-L121 HydrophobicContact CD2-CD2 3.85Å; L78-L121 HydrophobicContact CD2-CG 4.4Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 HydrophobicContact CB-CD2 4.22Å; V119-L121 HydrophobicContact CB-CG 4.08Å; V119-L121 HydrophobicContact CG1-CD2 3.6Å; V119-L121 HydrophobicContact CG1-CG 3.94Å; V119-L121 PolarHBondContact O-N 2.81Å; L121-Y201 HydrophobicContact CD2-CD1 4.07Å; L121-Y201 HydrophobicContact CD2-CE1 4.17Å
122	G	92	Very high	95.9	Very high	6 Å²	6	38.4 Å²	38.4	6%	0.062	18%	0.182	C	C	.	.	S	Bend	trans	169.7	-170.7	-174.7	0	0	0	0	0	109.9	D164 W170	G122-D164 WeakPolarHBondContact CA-O 3.23Å; G122-W170 WeakPolarHBondContact O-CZ3 3.41Å
123	E	94.7	Very high	95.8	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.2	176.8	-173.8	-171.7	165.2	0	0	110.3	L4 H6 I125 R133 V163 D164 S167 S169	L4-E123 CarbonylContact O-C 3.52Å; H6-E123 WeakPolarHBondContact CA-OE1 3.42Å; H6-E123 IonicContact CD2-OE1 3.28Å; H6-E123 PolarHBondContact CD2-OE1 3.02Å; H6-E123 IonicContact CG-OE1 2.79Å; E123-I125 HydrophobicContact CB-CG2 4.23Å; E123-I125 HydrophobicContact CG-CG2 3.81Å; E123-I125 PolarHBondContact O-N 3.24Å; E123-R133 IonicContact OE1-CZ 3.63Å; E123-R133 IonicContact OE1-NH1 3.05Å; E123-R133 IonicContact OE1-NH2 3.64Å; E123-R133 PolarHBondContact OE1-NH2 3.24Å; E123-R133 IonicContact OE2-CZ 3.92Å; E123-R133 IonicContact OE2-NH1 3.28Å; E123-R133 PolarHBondContact OE2-NH1 3.14Å; E123-R133 IonicContact OE2-NH2 3.88Å; E123-R133 PolarHBondContact OE2-NH2 2.74Å; E123-V163 CarbonylContact O-C 3.59Å; E123-V163 WeakPolarHBondContact O-CA 3.02Å; E123-D164 PolarHBondContact N-O 2.76Å; E123-D164 VanDerWaalsContact N-O 3.08Å; E123-D164 PolarHBondContact O-N 3.1Å; E123-S167 VanDerWaalsContact OE2-CB 3.3Å; E123-S167 WeakPolarHBondContact OE2-CB 3.29Å; E123-S167 PolarHBondContact OE2-OG 2.91Å; E123-S169 PolarHBondContact OE2-OG 2.84Å
124	V	96.2	Very high	95.6	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.3	170.3	-178.4	0	0	0	0	108.5	L3 L4 Y5 H6 I9 T161 C162 V163 I199	L3-V124 HydrophobicContact CB-CG2 4.28Å; L3-V124 HydrophobicContact CD1-CG2 4.19Å; L3-V124 HydrophobicContact CD2-CG2 4.25Å; L3-V124 HydrophobicContact CG-CG2 4.48Å; L4-V124 PolarHBondContact O-N 3.41Å; Y5-V124 HydrophobicContact CD1-CB 3.79Å; Y5-V124 HydrophobicContact CD1-CG1 4.22Å; Y5-V124 HydrophobicContact CD1-CG2 4.16Å; Y5-V124 HydrophobicContact CE1-CB 4.21Å; Y5-V124 HydrophobicContact CE1-CG2 4.11Å; H6-V124 PolarHBondContact N-O 2.87Å; I9-V124 HydrophobicContact CD1-CG1 4.07Å; I9-V124 HydrophobicContact CG1-CG1 4.42Å; I9-V124 WeakPolarHBondContact CG1-O 3.37Å; V124-T161 HydrophobicContact CG1-CG2 4.44Å; V124-C162 WeakPolarHBondContact CA-O 3.1Å; V124-V163 HydrophobicContact CG2-CG2 4.4Å; V124-I199 HydrophobicContact CG1-CG2 4.1Å; V124-I199 HydrophobicContact CG2-CG2 4.18Å
125	I	96.8	Very high	95.4	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.8	-172.8	63.7	176.7	0	0	0	111.7	H6 E123 E129 A130 I146 C162 D164	H6-I125 HydrophobicContact CB-CB 4.35Å; H6-I125 HydrophobicContact CB-CG2 4.03Å; E123-I125 HydrophobicContact CB-CG2 4.23Å; E123-I125 HydrophobicContact CG-CG2 3.81Å; E123-I125 PolarHBondContact O-N 3.24Å; I125-E129 HydrophobicContact CB-CB 4.31Å; I125-E129 HydrophobicContact CB-CG 4.16Å; I125-E129 HydrophobicContact CD1-CG 4.29Å; I125-E129 HydrophobicContact CG2-CG 4.47Å; I125-A130 VanDerWaalsContact CD1-CA 3.44Å; I125-A130 HydrophobicContact CD1-CB 3.8Å; I125-A130 HydrophobicContact CG1-CB 4.11Å; I125-I146 HydrophobicContact CD1-CD1 4Å; I125-C162 HydrophobicContact CG1-CB 3.97Å; I125-C162 PolarHBondContact N-O 2.97Å; I125-C162 WeakPolarHBondContact O-CB 3.41Å; I125-D164 HydrophobicContact CD1-CB 4.02Å; I125-D164 HydrophobicContact CG2-CB 4.46Å
126	P	96.9	Very high	95.3	Very high	33 Å²	33	38.5 Å²	38.5	21%	0.214	20%	0.199	C	C	.	.			trans	-62.3	151.2	170.9	-20.1	29.7	0	0	0	111.7	D8 I9 K128 E129 A130	D8-P126 HydrophobicContact CB-CG 3.76Å; I9-P126 HydrophobicContact CD1-CG 4.05Å; P126-K128 PolarHBondContact O-N 3.39Å; P126-E129 WeakPolarHBondContact O-CA 3.31Å; P126-E129 WeakPolarHBondContact O-CB 3.43Å; P126-E129 PolarHBondContact O-N 3.43Å; P126-A130 PolarHBondContact O-N 2.78Å
127	Y	95.9	Very high	95.1	Very high	97 Å²	97	38.7 Å²	38.7	38%	0.38	20%	0.2	S	C	.	.	H	α-helix	trans	-57.2	-35.4	179.5	178.8	-110.4	0	0	0	113.8	E129 A130 C131 E160	Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.44Å; Y127-A130 WeakPolarHBondContact O-CB 3.47Å; Y127-A130 PolarHBondContact O-N 2.76Å; Y127-C131 VanDerWaalsContact CZ-SG 3.53Å; Y127-C131 PolarHBondContact O-N 3.13Å; Y127-C131 PolarHBondContact O-SG 3.05Å; Y127-E160 VanDerWaalsContact CB-OE1 3.23Å; Y127-E160 WeakPolarHBondContact CB-OE1 3.44Å
128	K	96.8	Very high	95	Very high	170 Å²	170	42.4 Å²	42.4	74%	0.739	22%	0.219	S	C	*	.	H	α-helix	trans	-61.9	-42.2	175.1	-174.2	-176.8	175.3	-168.2	0	111.6	P126 C131 L132	P126-K128 PolarHBondContact O-N 3.39Å; K128-C131 PolarHBondContact O-N 3.11Å; K128-L132 WeakPolarHBondContact O-CG 3.41Å; K128-L132 PolarHBondContact O-N 2.86Å
129	E	97.1	Very high	95	Very high	46 Å²	46	46.5 Å²	46.5	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-38.6	176.2	-177.8	57.9	-160.8	0	0	110.9	I125 P126 Y127 C131 L132 R133	I125-E129 HydrophobicContact CB-CB 4.31Å; I125-E129 HydrophobicContact CB-CG 4.16Å; I125-E129 HydrophobicContact CD1-CG 4.29Å; I125-E129 HydrophobicContact CG2-CG 4.47Å; P126-E129 WeakPolarHBondContact O-CA 3.31Å; P126-E129 WeakPolarHBondContact O-CB 3.43Å; P126-E129 PolarHBondContact O-N 3.43Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.44Å; E129-C131 VanDerWaalsContact C-N 3.32Å; E129-C131 PolarHBondContact O-N 3.28Å; E129-L132 PolarHBondContact O-N 2.74Å; E129-L132 VanDerWaalsContact O-N 3.11Å; E129-R133 HydrophobicContact CG-CG 4.31Å; E129-R133 WeakPolarHBondContact O-CG 3.34Å; E129-R133 PolarHBondContact O-N 3.24Å; E129-R133 WeakPolarHBondContact OE1-CG 3.32Å; E129-R133 IonicContact OE1-CZ 3.49Å; E129-R133 IonicContact OE1-NE 2.74Å; E129-R133 PolarHBondContact OE1-NE 3.33Å; E129-R133 IonicContact OE1-NH2 3.47Å
130	A	96.9	Very high	94.9	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-55.1	-45.2	173.2	0	0	0	0	0	112.6	I125 P126 Y127 L132 R133 E134 I146 C162	I125-A130 VanDerWaalsContact CD1-CA 3.44Å; I125-A130 HydrophobicContact CD1-CB 3.8Å; I125-A130 HydrophobicContact CG1-CB 4.11Å; P126-A130 PolarHBondContact O-N 2.78Å; Y127-A130 WeakPolarHBondContact O-CB 3.47Å; Y127-A130 PolarHBondContact O-N 2.76Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.08Å; A130-R133 PolarHBondContact O-N 2.89Å; A130-E134 VanDerWaalsContact O-CB 3.3Å; A130-E134 WeakPolarHBondContact O-CB 3.43Å; A130-E134 PolarHBondContact O-N 2.78Å; A130-I146 HydrophobicContact CB-CG2 3.86Å; A130-C162 HydrophobicContact CB-CB 3.83Å
131	C	95.5	Very high	94.7	Very high	49 Å²	49	56.7 Å²	56.7	33%	0.331	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-40.4	176.6	-64.5	0	0	0	0	112.4	Y127 K128 E129 A135	Y127-C131 VanDerWaalsContact CZ-SG 3.53Å; Y127-C131 PolarHBondContact O-N 3.13Å; Y127-C131 PolarHBondContact O-SG 3.05Å; K128-C131 PolarHBondContact O-N 3.11Å; E129-C131 VanDerWaalsContact C-N 3.32Å; E129-C131 PolarHBondContact O-N 3.28Å; C131-A135 PolarHBondContact O-N 2.81Å
132	L	96.6	Very high	94.5	Very high	95 Å²	95	58.8 Å²	58.8	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-67.1	-47.9	178.6	-66.7	174.7	0	0	0	111.1	K128 E129 A130 A135 L136	K128-L132 WeakPolarHBondContact O-CG 3.41Å; K128-L132 PolarHBondContact O-N 2.86Å; E129-L132 PolarHBondContact O-N 2.74Å; E129-L132 VanDerWaalsContact O-N 3.11Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.08Å; L132-A135 PolarHBondContact O-N 3.35Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.76Å; L132-L136 VanDerWaalsContact O-N 3.13Å
133	R	95.8	Very high	94.3	Very high	39 Å²	39	62.8 Å²	62.8	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-38.1	179.9	-65.6	-166.4	-170.6	-176	6.9	112.2	H6 E123 E129 A130 L136 Q137 I146 D164	H6-R133 PolarHBondContact CD2-NH2 3.3Å; E123-R133 IonicContact OE1-CZ 3.63Å; E123-R133 IonicContact OE1-NH1 3.05Å; E123-R133 IonicContact OE1-NH2 3.64Å; E123-R133 PolarHBondContact OE1-NH2 3.24Å; E123-R133 IonicContact OE2-CZ 3.92Å; E123-R133 IonicContact OE2-NH1 3.28Å; E123-R133 PolarHBondContact OE2-NH1 3.14Å; E123-R133 IonicContact OE2-NH2 3.88Å; E123-R133 PolarHBondContact OE2-NH2 2.74Å; E129-R133 HydrophobicContact CG-CG 4.31Å; E129-R133 WeakPolarHBondContact O-CG 3.34Å; E129-R133 PolarHBondContact O-N 3.24Å; E129-R133 WeakPolarHBondContact OE1-CG 3.32Å; E129-R133 IonicContact OE1-CZ 3.49Å; E129-R133 IonicContact OE1-NE 2.74Å; E129-R133 PolarHBondContact OE1-NE 3.33Å; E129-R133 IonicContact OE1-NH2 3.47Å; A130-R133 PolarHBondContact O-N 2.89Å; R133-L136 PolarHBondContact O-N 2.91Å; R133-Q137 WeakPolarHBondContact O-CB 3.46Å; R133-Q137 WeakPolarHBondContact O-CG 3.46Å; R133-Q137 PolarHBondContact O-N 2.57Å; R133-I146 HydrophobicContact CB-CD1 4.11Å; R133-D164 WeakPolarHBondContact CD-OD2 3.47Å; R133-D164 IonicContact CZ-OD2 3.26Å; R133-D164 IonicContact NE-OD2 2.62Å; R133-D164 IonicContact NH1-OD2 2.71Å; R133-D164 PolarHBondContact NH1-OD2 2.64Å
134	E	94.6	Very high	94.2	Very high	48 Å²	48	64.2 Å²	64.2	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-50.2	174	176.1	179.2	-136.1	0	0	111.2	A130 L136 Q137 L138 N144 I146	A130-E134 VanDerWaalsContact O-CB 3.3Å; A130-E134 WeakPolarHBondContact O-CB 3.43Å; A130-E134 PolarHBondContact O-N 2.78Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.4Å; E134-Q137 PolarHBondContact O-N 2.91Å; E134-L138 HydrophobicContact CG-CD1 3.78Å; E134-L138 HydrophobicContact CG-CG 4.24Å; E134-L138 WeakPolarHBondContact O-CB 3.23Å; E134-L138 WeakPolarHBondContact O-CG 3.4Å; E134-L138 PolarHBondContact O-N 3.3Å; E134-N144 HydrophobicContact CG-CB 4.2Å; E134-N144 PolarHBondContact OE1-ND2 3.09Å; E134-I146 HydrophobicContact CB-CG1 4.43Å
135	A	94.1	Very high	94.1	Very high	61 Å²	61	65 Å²	65	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-42	179.3	0	0	0	0	0	111.8	C131 L132 S139	C131-A135 PolarHBondContact O-N 2.81Å; L132-A135 PolarHBondContact O-N 3.35Å; A135-S139 WeakPolarHBondContact O-CB 3.24Å; A135-S139 PolarHBondContact O-N 2.75Å; A135-S139 PolarHBondContact O-OG 3.1Å
136	L	95.3	Very high	94	Very high	109 Å²	109	65.3 Å²	65.3	57%	0.571	35%	0.351	S	S	*	.	H	α-helix	trans	-64.2	-48.8	175.3	-70.6	171.5	0	0	0	111.8	L132 R133 E134 L138 S139 C140	L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.76Å; L132-L136 VanDerWaalsContact O-N 3.13Å; R133-L136 PolarHBondContact O-N 2.91Å; E134-L136 VanDerWaalsContact C-N 3.29Å; E134-L136 PolarHBondContact O-N 3.4Å; L136-L138 PolarHBondContact O-N 3.14Å; L136-S139 PolarHBondContact O-N 3.45Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-S139 PolarHBondContact O-OG 3.22Å; L136-C140 WeakPolarHBondContact O-CB 3.32Å; L136-C140 PolarHBondContact O-N 3.17Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.37Å
137	Q	94.3	Very high	93.9	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-41.6	-179.8	-70.7	176.7	15.9	0	0	112	R133 E134 S139 C140 Y141 G142 R143 D164	R133-Q137 WeakPolarHBondContact O-CB 3.46Å; R133-Q137 WeakPolarHBondContact O-CG 3.46Å; R133-Q137 PolarHBondContact O-N 2.57Å; E134-Q137 PolarHBondContact O-N 2.91Å; Q137-S139 PolarHBondContact O-N 2.96Å; Q137-C140 PolarHBondContact O-N 2.81Å; Q137-Y141 HydrophobicContact CB-CD2 4.1Å; Q137-Y141 HydrophobicContact CG-CD2 4.31Å; Q137-Y141 HydrophobicContact CG-CE2 4.3Å; Q137-Y141 WeakPolarHBondContact O-CA 3.36Å; Q137-Y141 WeakPolarHBondContact O-CB 3.39Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.24Å; Q137-Y141 PolarHBondContact O-N 2.8Å; Q137-G142 PolarHBondContact O-N 3.29Å; Q137-R143 CarbonylContact C-O 3.51Å; Q137-R143 VanDerWaalsContact CB-O 3.31Å; Q137-R143 WeakPolarHBondContact CB-O 3.49Å; Q137-D164 PolarHBondContact NE2-OD1 2.77Å
138	L	91.9	Very high	93.9	Very high	82 Å²	82	60.3 Å²	60.3	43%	0.429	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-41.8	173.9	-71.4	172.7	0	0	0	111.6	E134 L136 G142 R143 N144	E134-L138 HydrophobicContact CG-CD1 3.78Å; E134-L138 HydrophobicContact CG-CG 4.24Å; E134-L138 WeakPolarHBondContact O-CB 3.23Å; E134-L138 WeakPolarHBondContact O-CG 3.4Å; E134-L138 PolarHBondContact O-N 3.3Å; L136-L138 PolarHBondContact O-N 3.14Å; L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 2.78Å; L138-R143 PolarHBondContact N-O 2.72Å; L138-N144 HydrophobicContact CD2-CB 4.3Å
139	S	93.5	Very high	93.9	Very high	91 Å²	91	53 Å²	53	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-69.5	-37.6	178.5	75.5	0	0	0	0	113.6	A135 L136 Q137	A135-S139 WeakPolarHBondContact O-CB 3.24Å; A135-S139 PolarHBondContact O-N 2.75Å; A135-S139 PolarHBondContact O-OG 3.1Å; L136-S139 PolarHBondContact O-N 3.45Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-S139 PolarHBondContact O-OG 3.22Å; Q137-S139 PolarHBondContact O-N 2.96Å
140	C	92.9	Very high	93.8	Very high	87 Å²	87	52.4 Å²	52.4	59%	0.588	29%	0.294	S	S	*	.	H	α-helix	trans	-84.6	-37.2	-176.1	-69.9	0	0	0	0	113	L136 Q137	L136-C140 WeakPolarHBondContact O-CB 3.32Å; L136-C140 PolarHBondContact O-N 3.17Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.37Å; Q137-C140 PolarHBondContact O-N 2.81Å
141	Y	88.4	Confident	93.7	Very high	133 Å²	133	53.1 Å²	53.1	52%	0.522	30%	0.296	S	S	.	.	H	α-helix	trans	-124.3	-10	-168.6	-45.7	-57.9	0	0	0	113.7	Q137 R143 F145	Q137-Y141 HydrophobicContact CB-CD2 4.1Å; Q137-Y141 HydrophobicContact CG-CD2 4.31Å; Q137-Y141 HydrophobicContact CG-CE2 4.3Å; Q137-Y141 WeakPolarHBondContact O-CA 3.36Å; Q137-Y141 WeakPolarHBondContact O-CB 3.39Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.24Å; Q137-Y141 PolarHBondContact O-N 2.8Å; Y141-R143 PolarHBondContact O-N 3.4Å; Y141-F145 HydrophobicContact CD2-CE2 4.33Å
142	G	88.4	Confident	93.5	Very high	58 Å²	58	54 Å²	54	60%	0.598	29%	0.293	S	S	*	.	S	Bend	trans	67.7	17.4	-173.1	0	0	0	0	0	113.7	Q137 L138	Q137-G142 PolarHBondContact O-N 3.29Å; L138-G142 WeakPolarHBondContact O-CA 3.32Å; L138-G142 PolarHBondContact O-N 2.78Å
143	R	88.3	Confident	93.2	Very high	89 Å²	89	52.3 Å²	52.3	34%	0.336	29%	0.29	S	S	.	.			trans	-146.2	151.2	-174.4	-61.9	-177	-173.6	-140.5	-15.6	111.4	M101 G102 Q137 L138 Y141 F145	M101-R143 VanDerWaalsContact O-CZ 3.27Å; M101-R143 PolarHBondContact O-NH1 2.88Å; M101-R143 PolarHBondContact O-NH2 2.98Å; G102-R143 VanDerWaalsContact CA-NH2 3.29Å; Q137-R143 CarbonylContact C-O 3.51Å; Q137-R143 VanDerWaalsContact CB-O 3.31Å; Q137-R143 WeakPolarHBondContact CB-O 3.49Å; L138-R143 PolarHBondContact N-O 2.72Å; Y141-R143 PolarHBondContact O-N 3.4Å; R143-F145 HydrophobicContact CB-CE1 4.48Å; R143-F145 HydrophobicContact CB-CE2 4.08Å; R143-F145 HydrophobicContact CB-CZ 3.89Å
144	N	91.6	Very high	92.9	Very high	42 Å²	42	57.4 Å²	57.4	23%	0.225	32%	0.319	C	S	.	.			trans	-106.4	135.4	173.4	179.5	14.2	0	0	0	109.5	E134 L138 I146	E134-N144 HydrophobicContact CG-CB 4.2Å; E134-N144 PolarHBondContact OE1-ND2 3.09Å; L138-N144 HydrophobicContact CD2-CB 4.3Å; N144-I146 WeakPolarHBondContact OD1-CA 3.35Å; N144-I146 VanDerWaalsContact OD1-CB 3.25Å; N144-I146 WeakPolarHBondContact OD1-CB 3.33Å; N144-I146 WeakPolarHBondContact OD1-CG1 3.47Å; N144-I146 PolarHBondContact OD1-N 2.89Å
145	F	93.9	Very high	92.4	Very high	20 Å²	20	62.6 Å²	62.6	9%	0.088	34%	0.343	C	S	.	.			trans	-120.8	10.3	175.4	-56.1	-71.9	0	0	0	112.6	Y120 Y141 R143 G165 N166 R178	Y120-F145 VanDerWaalsContact OH-C 3.26Å; Y120-F145 PolarHBondContact OH-O 2.91Å; Y141-F145 HydrophobicContact CD2-CE2 4.33Å; R143-F145 HydrophobicContact CB-CE1 4.48Å; R143-F145 HydrophobicContact CB-CE2 4.08Å; R143-F145 HydrophobicContact CB-CZ 3.89Å; F145-G165 PolarHBondContact O-N 2.69Å; F145-N166 HydrophobicContact CB-CB 3.8Å; F145-N166 HydrophobicContact CD2-CB 3.85Å; F145-N166 HydrophobicContact CG-CB 4.07Å; F145-R178 HydrophobicContact CD1-CB 4.18Å; F145-R178 HydrophobicContact CD1-CG 4.32Å; F145-R178 WeakPolarHBondContact CD1-O 3.33Å; F145-R178 VanDerWaalsContact CE1-NH2 3.27Å
146	I	95.2	Very high	92.3	Very high	10 Å²	10	69 Å²	69	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.6	169.7	-49.4	-54	0	0	0	108.9	I125 A130 R133 E134 N144 V148 C162 V163 D164	I125-I146 HydrophobicContact CD1-CD1 4Å; A130-I146 HydrophobicContact CB-CG2 3.86Å; R133-I146 HydrophobicContact CB-CD1 4.11Å; E134-I146 HydrophobicContact CB-CG1 4.43Å; N144-I146 WeakPolarHBondContact OD1-CA 3.35Å; N144-I146 VanDerWaalsContact OD1-CB 3.25Å; N144-I146 WeakPolarHBondContact OD1-CB 3.33Å; N144-I146 WeakPolarHBondContact OD1-CG1 3.47Å; N144-I146 PolarHBondContact OD1-N 2.89Å; I146-V148 HydrophobicContact CG2-CG2 4.15Å; I146-C162 HydrophobicContact CG2-CB 4.44Å; I146-V163 WeakPolarHBondContact CA-O 3.45Å; I146-D164 HydrophobicContact CD1-CB 3.37Å; I146-D164 WeakPolarHBondContact CD1-OD1 3.42Å
147	M	95.4	Very high	92.2	Very high	9 Å²	9	67.8 Å²	67.8	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	168.3	-180	178.9	-79.8	0	0	109.1	Y120 C162 V163 V190 L202 Y218	Y120-M147 HydrophobicContact CD1-CB 3.81Å; Y120-M147 HydrophobicContact CD1-CE 4.35Å; Y120-M147 HydrophobicContact CD1-SD 4.15Å; Y120-M147 HydrophobicContact CD2-CE 3.22Å; Y120-M147 HydrophobicContact CD2-SD 4.02Å; Y120-M147 HydrophobicContact CE1-CB 3.63Å; Y120-M147 HydrophobicContact CE2-CB 4.35Å; Y120-M147 HydrophobicContact CE2-CE 3.66Å; Y120-M147 HydrophobicContact CG-CB 4.27Å; Y120-M147 HydrophobicContact CG-CE 3.61Å; Y120-M147 HydrophobicContact CG-SD 3.74Å; M147-C162 CarbonylContact O-C 3.59Å; M147-C162 WeakPolarHBondContact O-CA 3.34Å; M147-V163 PolarHBondContact N-O 2.97Å; M147-V163 PolarHBondContact O-N 3.16Å; M147-V190 HydrophobicContact CE-CG2 4.19Å; M147-V190 HydrophobicContact SD-CG1 4.02Å; M147-L202 HydrophobicContact CB-CD1 4.32Å; M147-L202 HydrophobicContact CG-CD1 3.76Å; M147-L202 HydrophobicContact SD-CB 3.83Å; M147-L202 HydrophobicContact SD-CD1 3.45Å; M147-L202 WeakPolarHBondContact SD-CD1 3.18Å; M147-L202 HydrophobicContact SD-CG 4.28Å; M147-Y218 HydrophobicContact CE-CD2 4.39Å; M147-Y218 HydrophobicContact CE-CE1 3.9Å; M147-Y218 HydrophobicContact CE-CE2 3.57Å; M147-Y218 VanDerWaalsContact CE-OH 3.23Å; M147-Y218 WeakPolarHBondContact CE-OH 3.12Å
148	V	95.5	Very high	92.2	Very high	16 Å²	16	72.8 Å²	72.8	10%	0.097	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.8	175.8	-176.1	0	0	0	0	109.2	I146 R150 E160 C162 S223	I146-V148 HydrophobicContact CG2-CG2 4.15Å; V148-R150 HydrophobicContact CG1-CG 4.15Å; V148-E160 HydrophobicContact CG1-CG 4.05Å; V148-C162 HydrophobicContact CG2-CB 4.49Å; V148-S223 PolarHBondContact O-OG 2.91Å
149	M	95.8	Very high	92.3	Very high	17 Å²	17	70.1 Å²	70.1	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.8	174.4	-170.6	62.6	-170	0	0	109.9	E160 T161 V190 P192 L202 S223	M149-E160 CarbonylContact O-C 3.52Å; M149-E160 WeakPolarHBondContact O-CA 3.39Å; M149-T161 PolarHBondContact N-O 3.26Å; M149-T161 PolarHBondContact O-N 2.85Å; M149-V190 HydrophobicContact SD-CG1 4.31Å; M149-P192 HydrophobicContact CE-CG 3.48Å; M149-P192 VanDerWaalsContact CE-CG 3.48Å; M149-P192 HydrophobicContact CG-CG 4.04Å; M149-P192 HydrophobicContact SD-CG 4.46Å; M149-L202 HydrophobicContact CB-CD1 3.91Å; M149-L202 HydrophobicContact CB-CD2 3.56Å; M149-L202 HydrophobicContact CB-CG 4.41Å; M149-L202 HydrophobicContact CG-CD2 3.76Å; M149-S223 VanDerWaalsContact SD-CB 3.53Å
150	R	95	Very high	92.3	Very high	33 Å²	33	69 Å²	69	13%	0.125	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.6	177.7	-68.1	178.3	179.8	130.2	-0.2	109.8	V148 Y152 L157 S159 E160 S223 V250	V148-R150 HydrophobicContact CG1-CG 4.15Å; R150-Y152 HydrophobicContact CB-CD2 4.43Å; R150-Y152 HydrophobicContact CB-CE2 3.56Å; R150-L157 HydrophobicContact CB-CD1 3.63Å; R150-L157 HydrophobicContact CG-CD1 3.89Å; R150-S159 WeakPolarHBondContact CA-O 3.21Å; R150-E160 HydrophobicContact CG-CG 4.14Å; R150-E160 IonicContact CZ-OE2 3.41Å; R150-E160 IonicContact NE-OE2 3.46Å; R150-E160 PolarHBondContact NE-OE2 3.25Å; R150-E160 IonicContact NH2-OE2 3.83Å; R150-E160 PolarHBondContact NH2-OE2 3.43Å; R150-S223 PolarHBondContact N-OG 3.42Å; R150-S223 WeakPolarHBondContact O-CB 3.37Å; R150-V250 PolarHBondContact NH1-OXT 2.87Å; R150-V250 PolarHBondContact NH2-OXT 2.83Å
151	E	94.8	Very high	92.5	Very high	18 Å²	18	65.3 Å²	65.3	8%	0.084	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.9	175.5	-65.9	163.7	-87.7	0	0	109.3	I158 S159 P192 R194	E151-I158 HydrophobicContact CB-CD1 4.39Å; E151-I158 HydrophobicContact CB-CG1 4.02Å; E151-I158 VanDerWaalsContact O-CG1 3.23Å; E151-I158 WeakPolarHBondContact O-CG1 3.3Å; E151-I158 PolarHBondContact O-N 3.19Å; E151-S159 PolarHBondContact N-O 3.05Å; E151-S159 PolarHBondContact O-N 3.41Å; E151-S159 VanDerWaalsContact OE1-CB 3.26Å; E151-S159 WeakPolarHBondContact OE1-CB 3.36Å; E151-S159 PolarHBondContact OE1-OG 3.45Å; E151-P192 HydrophobicContact CG-CG 4.08Å; E151-R194 VanDerWaalsContact CD-NH2 3.27Å; E151-R194 IonicContact OE1-CZ 3.71Å; E151-R194 IonicContact OE1-NH1 3.85Å; E151-R194 IonicContact OE1-NH2 2.73Å; E151-R194 PolarHBondContact OE1-NH2 2.93Å; E151-R194 IonicContact OE2-CZ 3.37Å; E151-R194 IonicContact OE2-NH1 2.79Å; E151-R194 PolarHBondContact OE2-NH1 3.14Å; E151-R194 IonicContact OE2-NH2 3.03Å; E151-R194 PolarHBondContact OE2-NH2 3.14Å
152	Y	92.5	Very high	92.9	Very high	68 Å²	68	59.1 Å²	59.1	27%	0.267	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.8	-176.4	-64.9	-98.9	0	0	0	111.2	R150 R156 L157 S223 P225	R150-Y152 HydrophobicContact CB-CD2 4.43Å; R150-Y152 HydrophobicContact CB-CE2 3.56Å; Y152-R156 CarbonylContact C-O 3.57Å; Y152-R156 WeakPolarHBondContact CA-O 3.45Å; Y152-L157 HydrophobicContact CD1-CB 4.28Å; Y152-L157 HydrophobicContact CE1-CB 3.98Å; Y152-L157 HydrophobicContact CE1-CD1 4.14Å; Y152-L157 HydrophobicContact CE2-CD1 4.18Å; Y152-S223 WeakPolarHBondContact CE2-O 3.31Å; Y152-P225 HydrophobicContact CD1-CG 4.31Å; Y152-P225 HydrophobicContact CD2-CG 4.24Å; Y152-P225 HydrophobicContact CE1-CG 4.09Å; Y152-P225 VanDerWaalsContact CE2-CD 3.5Å; Y152-P225 HydrophobicContact CE2-CG 4.04Å; Y152-P225 HydrophobicContact CG-CG 4.38Å
153	S	90.5	Very high	93.3	Very high	60 Å²	60	56.5 Å²	56.5	42%	0.42	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.5	165.4	-179.7	0	0	0	0	108.6	H155 R156	S153-H155 PolarHBondContact O-N 2.86Å; S153-H155 VanDerWaalsContact O-N 3.15Å; S153-R156 PolarHBondContact N-O 3.01Å; S153-R156 WeakPolarHBondContact O-CB 3.14Å; S153-R156 PolarHBondContact O-N 3.37Å
154	D	89	Confident	93.6	Very high	145 Å²	145	52.6 Å²	52.6	78%	0.775	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	45.6	-175.5	-61.1	-31.4	0	0	0	113.4	R156	D154-R156 PolarHBondContact O-N 3.42Å; D154-R156 VanDerWaalsContact O-N 3.11Å
155	H	84.4	Confident	93.7	Very high	157 Å²	157	50.7 Å²	50.7	73%	0.727	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	3.8	-176.5	-51.2	-79.9	0	0	0	116.5	S153	S153-H155 PolarHBondContact O-N 2.86Å; S153-H155 VanDerWaalsContact O-N 3.15Å
156	R	91.9	Very high	93.6	Very high	195 Å²	195	50.9 Å²	50.9	74%	0.736	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	134	173.7	-61.2	-177.5	-178.7	-175.8	1.2	109.9	Y152 S153 D154 I158	Y152-R156 CarbonylContact C-O 3.57Å; Y152-R156 WeakPolarHBondContact CA-O 3.45Å; S153-R156 PolarHBondContact N-O 3.01Å; S153-R156 WeakPolarHBondContact O-CB 3.14Å; S153-R156 PolarHBondContact O-N 3.37Å; D154-R156 PolarHBondContact O-N 3.42Å; D154-R156 VanDerWaalsContact O-N 3.11Å; R156-I158 PolarHBondContact O-N 2.85Å
157	L	92.4	Very high	93.2	Very high	85 Å²	85	51.1 Å²	51.1	45%	0.445	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122	171.8	-178.7	68.1	0	0	0	108.4	R150 Y152 S159 E160	R150-L157 HydrophobicContact CB-CD1 3.63Å; R150-L157 HydrophobicContact CG-CD1 3.89Å; Y152-L157 HydrophobicContact CD1-CB 4.28Å; Y152-L157 HydrophobicContact CE1-CB 3.98Å; Y152-L157 HydrophobicContact CE1-CD1 4.14Å; Y152-L157 HydrophobicContact CE2-CD1 4.18Å; L157-S159 WeakPolarHBondContact CD1-O 3.4Å; L157-E160 HydrophobicContact CD2-CB 4.42Å
158	I	94	Very high	92.5	Very high	113 Å²	113	56.1 Å²	56.1	58%	0.579	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	-22.8	-179.7	57.8	162.7	0	0	0	113.1	E151 R156	E151-I158 HydrophobicContact CB-CD1 4.39Å; E151-I158 HydrophobicContact CB-CG1 4.02Å; E151-I158 VanDerWaalsContact O-CG1 3.23Å; E151-I158 WeakPolarHBondContact O-CG1 3.3Å; E151-I158 PolarHBondContact O-N 3.19Å; R156-I158 PolarHBondContact O-N 2.85Å
159	S	94	Very high	91.6	Very high	26 Å²	26	58.7 Å²	58.7	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139	178.5	158.1	0	0	0	0	109.4	R150 E151 L157	R150-S159 WeakPolarHBondContact CA-O 3.21Å; E151-S159 PolarHBondContact N-O 3.05Å; E151-S159 PolarHBondContact O-N 3.41Å; E151-S159 VanDerWaalsContact OE1-CB 3.26Å; E151-S159 WeakPolarHBondContact OE1-CB 3.36Å; E151-S159 PolarHBondContact OE1-OG 3.45Å; L157-S159 WeakPolarHBondContact CD1-O 3.4Å
160	E	95.1	Very high	90.1	Very high	68 Å²	68	61.7 Å²	61.7	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	114.4	173.1	-177.7	173.3	68.4	0	0	108.5	Y127 V148 M149 R150 L157	Y127-E160 VanDerWaalsContact CB-OE1 3.23Å; Y127-E160 WeakPolarHBondContact CB-OE1 3.44Å; V148-E160 HydrophobicContact CG1-CG 4.05Å; M149-E160 CarbonylContact O-C 3.52Å; M149-E160 WeakPolarHBondContact O-CA 3.39Å; R150-E160 HydrophobicContact CG-CG 4.14Å; R150-E160 IonicContact CZ-OE2 3.41Å; R150-E160 IonicContact NE-OE2 3.46Å; R150-E160 PolarHBondContact NE-OE2 3.25Å; R150-E160 IonicContact NH2-OE2 3.83Å; R150-E160 PolarHBondContact NH2-OE2 3.43Å; L157-E160 HydrophobicContact CD2-CB 4.42Å
161	T	96.7	Very high	88.7	Confident	10 Å²	10	62 Å²	62	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.9	178.7	-57.9	0	0	0	0	108.9	V124 M149 V163 I199 P200	V124-T161 HydrophobicContact CG1-CG2 4.44Å; M149-T161 PolarHBondContact N-O 3.26Å; M149-T161 PolarHBondContact O-N 2.85Å; T161-V163 HydrophobicContact CG2-CG2 4.14Å; T161-I199 HydrophobicContact CG2-CG2 4.26Å; T161-P200 HydrophobicContact CG2-CG 4.4Å; T161-P200 WeakPolarHBondContact OG1-CD 3.2Å
162	C	97	Very high	87.3	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.02	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.4	175.9	-53.5	0	0	0	0	109.6	V124 I125 A130 I146 M147 V148	V124-C162 WeakPolarHBondContact CA-O 3.1Å; I125-C162 HydrophobicContact CG1-CB 3.97Å; I125-C162 PolarHBondContact N-O 2.97Å; I125-C162 WeakPolarHBondContact O-CB 3.41Å; A130-C162 HydrophobicContact CB-CB 3.83Å; I146-C162 HydrophobicContact CG2-CB 4.44Å; M147-C162 CarbonylContact O-C 3.59Å; M147-C162 WeakPolarHBondContact O-CA 3.34Å; V148-C162 HydrophobicContact CG2-CB 4.49Å
163	V	95.8	Very high	86.4	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.1	-179.6	-175.8	0	0	0	0	110.3	Y120 E123 V124 I146 M147 T161 G165 L202	Y120-V163 HydrophobicContact CD1-CB 4.23Å; Y120-V163 HydrophobicContact CD1-CG1 4.01Å; Y120-V163 HydrophobicContact CE1-CG1 4.43Å; E123-V163 CarbonylContact O-C 3.59Å; E123-V163 WeakPolarHBondContact O-CA 3.02Å; V124-V163 HydrophobicContact CG2-CG2 4.4Å; I146-V163 WeakPolarHBondContact CA-O 3.45Å; M147-V163 PolarHBondContact N-O 2.97Å; M147-V163 PolarHBondContact O-N 3.16Å; T161-V163 HydrophobicContact CG2-CG2 4.14Å; V163-G165 PolarHBondContact O-N 3.48Å; V163-L202 HydrophobicContact CB-CD1 4.35Å; V163-L202 HydrophobicContact CG2-CD1 3.68Å; V163-L202 HydrophobicContact CG2-CG 4.21Å
164	D	95.4	Very high	86.1	Confident	6 Å²	6	67 Å²	67	3%	0.032	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	97.1	173.2	-174	2.3	0	0	0	111.5	G122 E123 I125 R133 Q137 I146 N166 S167	G122-D164 WeakPolarHBondContact CA-O 3.23Å; E123-D164 PolarHBondContact N-O 2.76Å; E123-D164 VanDerWaalsContact N-O 3.08Å; E123-D164 PolarHBondContact O-N 3.1Å; I125-D164 HydrophobicContact CD1-CB 4.02Å; I125-D164 HydrophobicContact CG2-CB 4.46Å; R133-D164 WeakPolarHBondContact CD-OD2 3.47Å; R133-D164 IonicContact CZ-OD2 3.26Å; R133-D164 IonicContact NE-OD2 2.62Å; R133-D164 IonicContact NH1-OD2 2.71Å; R133-D164 PolarHBondContact NH1-OD2 2.64Å; Q137-D164 PolarHBondContact NE2-OD1 2.77Å; I146-D164 HydrophobicContact CD1-CB 3.37Å; I146-D164 WeakPolarHBondContact CD1-OD1 3.42Å; D164-N166 PolarHBondContact O-N 2.86Å; D164-N166 WeakPolarHBondContact OD1-CA 3.03Å; D164-N166 WeakPolarHBondContact OD1-CB 3.37Å; D164-N166 PolarHBondContact OD1-N 3.44Å; D164-S167 PolarHBondContact O-N 3.46Å; D164-S167 PolarHBondContact OD1-N 3Å
165	G	93.5	Very high	85.9	Confident	3 Å²	3	61.4 Å²	61.4	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.6	175.3	0	0	0	0	0	114.1	F145 V163 R178	F145-G165 PolarHBondContact O-N 2.69Å; V163-G165 PolarHBondContact O-N 3.48Å; G165-R178 WeakPolarHBondContact O-CD 3.22Å; G165-R178 PolarHBondContact O-NE 3.16Å
166	N	92.1	Very high	86.2	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.128	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	1.8	175.4	-165.7	58.9	0	0	0	113.9	F145 D164 E168 K174 R178	F145-N166 HydrophobicContact CB-CB 3.8Å; F145-N166 HydrophobicContact CD2-CB 3.85Å; F145-N166 HydrophobicContact CG-CB 4.07Å; D164-N166 PolarHBondContact O-N 2.86Å; D164-N166 WeakPolarHBondContact OD1-CA 3.03Å; D164-N166 WeakPolarHBondContact OD1-CB 3.37Å; D164-N166 PolarHBondContact OD1-N 3.44Å; N166-E168 PolarHBondContact O-N 3.34Å; N166-K174 VanDerWaalsContact O-CE 3.25Å; N166-K174 WeakPolarHBondContact O-CE 3.4Å; N166-K174 WeakPolarHBondContact OD1-CE 3.18Å; N166-R178 VanDerWaalsContact CG-NH2 3.31Å; N166-R178 PolarHBondContact OD1-NH2 3.49Å
167	S	87.5	Confident	86.2	Confident	15 Å²	15	48.6 Å²	48.6	11%	0.105	27%	0.272	C	S	.	.			trans	-57.8	138.3	179.2	179.9	0	0	0	0	111.8	E123 D164 S169	E123-S167 VanDerWaalsContact OE2-CB 3.3Å; E123-S167 WeakPolarHBondContact OE2-CB 3.29Å; E123-S167 PolarHBondContact OE2-OG 2.91Å; D164-S167 PolarHBondContact O-N 3.46Å; D164-S167 PolarHBondContact OD1-N 3Å; S167-S169 PolarHBondContact O-N 2.82Å; S167-S169 WeakPolarHBondContact OG-CB 3.27Å; S167-S169 PolarHBondContact OG-N 3.32Å; S167-S169 VanDerWaalsContact OG-N 3.16Å; S167-S169 PolarHBondContact OG-OG 3.21Å
168	E	80	Confident	86.2	Confident	113 Å²	113	46.1 Å²	46.1	53%	0.528	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-82.6	2.3	174	-60.9	-65	155.3	0	0	111.9	N166 W170 G171 K174	N166-E168 PolarHBondContact O-N 3.34Å; E168-W170 PolarHBondContact O-N 2.87Å; E168-G171 WeakPolarHBondContact O-CA 3.21Å; E168-G171 PolarHBondContact O-N 3.22Å; E168-K174 VanDerWaalsContact CD-NZ 3.27Å; E168-K174 IonicContact OE1-NZ 2.72Å; E168-K174 PolarHBondContact OE1-NZ 3.35Å; E168-K174 IonicContact OE2-NZ 3.17Å; E168-K174 PolarHBondContact OE2-NZ 3.33Å
169	S	75.7	Confident	86.2	Confident	70 Å²	70	41.6 Å²	41.6	49%	0.49	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-62.2	-23	-178.4	-60	0	0	0	0	113.1	L4 E123 S167 G171	L4-S169 VanDerWaalsContact CD1-C 3.47Å; L4-S169 VanDerWaalsContact CD1-CB 3.49Å; L4-S169 WeakPolarHBondContact CD1-O 3.18Å; E123-S169 PolarHBondContact OE2-OG 2.84Å; S167-S169 PolarHBondContact O-N 2.82Å; S167-S169 WeakPolarHBondContact OG-CB 3.27Å; S167-S169 PolarHBondContact OG-N 3.32Å; S167-S169 VanDerWaalsContact OG-N 3.16Å; S167-S169 PolarHBondContact OG-OG 3.21Å; S169-G171 VanDerWaalsContact C-N 3.32Å
170	W	65.3	Low	86.3	Confident	80 Å²	80	40.3 Å²	40.3	30%	0.303	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-88.9	12.3	171	-112.3	-73.1	0	0	0	114.4	M1 E2 L4 G122 E168	M1-W170 HydrophobicContact CG-CZ2 3.67Å; M1-W170 HydrophobicContact SD-CZ2 4.24Å; E2-W170 WeakPolarHBondContact O-CH2 3.44Å; E2-W170 WeakPolarHBondContact O-CZ2 3.4Å; L4-W170 HydrophobicContact CB-CE3 4.15Å; L4-W170 HydrophobicContact CB-CH2 3.97Å; L4-W170 HydrophobicContact CB-CZ3 3.56Å; L4-W170 HydrophobicContact CD1-CB 4.49Å; L4-W170 HydrophobicContact CD1-CD2 3.51Å; L4-W170 HydrophobicContact CD1-CE3 3.18Å; L4-W170 HydrophobicContact CD1-CG 4.13Å; L4-W170 HydrophobicContact CD1-CH2 4.03Å; L4-W170 HydrophobicContact CD1-CZ2 4.31Å; L4-W170 HydrophobicContact CD1-CZ3 3.47Å; L4-W170 VanDerWaalsContact CD1-CZ3 3.47Å; L4-W170 HydrophobicContact CD2-CH2 4.48Å; L4-W170 HydrophobicContact CG-CD2 4.02Å; L4-W170 HydrophobicContact CG-CE3 3.58Å; L4-W170 HydrophobicContact CG-CH2 3.44Å; L4-W170 VanDerWaalsContact CG-CH2 3.44Å; L4-W170 HydrophobicContact CG-CZ2 3.9Å; L4-W170 HydrophobicContact CG-CZ3 3.26Å; L4-W170 VanDerWaalsContact N-CH2 3.35Å; G122-W170 WeakPolarHBondContact O-CZ3 3.41Å; E168-W170 PolarHBondContact O-N 2.87Å
171	G	65.9	Low	86.3	Confident	39 Å²	39	38.3 Å²	38.3	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-147.6	-164	0	0	0	0	0	111.4	E168 S169 V173	E168-G171 WeakPolarHBondContact O-CA 3.21Å; E168-G171 PolarHBondContact O-N 3.22Å; S169-G171 VanDerWaalsContact C-N 3.32Å; G171-V173 PolarHBondContact O-N 2.93Å
172	S	64.7	Low	86.2	Confident	105 Å²	105	38.3 Å²	38.3	73%	0.734	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.4	-170.1	59.9	0	0	0	0	115.1
173	V	74.6	Confident	86.1	Confident	85 Å²	85	38.7 Å²	38.7	52%	0.515	22%	0.219	S	C	.	.			trans	-87.8	120.9	-176.4	-177.3	0	0	0	0	109.8	F85 G171	F85-V173 HydrophobicContact CE1-CG1 4.28Å; G171-V173 PolarHBondContact O-N 2.93Å
174	K	83.2	Confident	86.2	Confident	62 Å²	62	39.4 Å²	39.4	27%	0.27	22%	0.223	S	C	.	.			trans	-117.1	143.2	-178.8	-61.3	178.4	171.8	70.3	0	110.4	N166 E168 K176	N166-K174 VanDerWaalsContact O-CE 3.25Å; N166-K174 WeakPolarHBondContact O-CE 3.4Å; N166-K174 WeakPolarHBondContact OD1-CE 3.18Å; E168-K174 VanDerWaalsContact CD-NZ 3.27Å; E168-K174 IonicContact OE1-NZ 2.72Å; E168-K174 PolarHBondContact OE1-NZ 3.35Å; E168-K174 IonicContact OE2-NZ 3.17Å; E168-K174 PolarHBondContact OE2-NZ 3.33Å; K174-K176 PolarHBondContact O-N 2.78Å
175	S	85.3	Confident	86.2	Confident	28 Å²	28	42.3 Å²	42.3	20%	0.196	24%	0.241	C	C	.	.			trans	-57.8	135.7	175.8	175.3	0	0	0	0	110.9	V119 A177 R178	V119-S175 PolarHBondContact O-OG 3.4Å; S175-A177 PolarHBondContact O-N 3.16Å; S175-A177 WeakPolarHBondContact OG-CB 3.45Å; S175-A177 PolarHBondContact OG-N 3.37Å; S175-R178 VanDerWaalsContact O-CD 3.23Å; S175-R178 WeakPolarHBondContact O-CD 3.16Å; S175-R178 WeakPolarHBondContact O-CG 3.36Å
176	K	89.4	Confident	86.5	Confident	83 Å²	83	43.1 Å²	43.1	36%	0.361	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.3	-24.1	174.3	-73.1	-179.6	-172.7	169.1	0	112.1	L105 K174 R178 L179	L105-K176 HydrophobicContact CD1-CB 3.99Å; L105-K176 WeakPolarHBondContact CD1-O 3.47Å; L105-K176 HydrophobicContact CD2-CB 4.05Å; K174-K176 PolarHBondContact O-N 2.78Å; K176-R178 PolarHBondContact O-N 3.44Å; K176-R178 VanDerWaalsContact O-N 3.15Å; K176-L179 VanDerWaalsContact O-CB 3.31Å; K176-L179 WeakPolarHBondContact O-CB 3.44Å; K176-L179 PolarHBondContact O-N 2.88Å
177	A	92.5	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.5	-178.4	0	0	0	0	0	113.2	C118 Y120 S175 L179 I180 L204	C118-A177 HydrophobicContact CB-CB 4.13Å; Y120-A177 HydrophobicContact CD2-CB 3.94Å; Y120-A177 HydrophobicContact CG-CB 4.44Å; S175-A177 PolarHBondContact O-N 3.16Å; S175-A177 WeakPolarHBondContact OG-CB 3.45Å; S175-A177 PolarHBondContact OG-N 3.37Å; A177-L179 PolarHBondContact O-N 3.05Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 WeakPolarHBondContact O-CB 3.27Å; A177-I180 WeakPolarHBondContact O-CG1 3.46Å; A177-I180 PolarHBondContact O-N 3.47Å; A177-L204 HydrophobicContact CB-CD1 4.46Å
178	R	92.7	Very high	87.3	Confident	32 Å²	32	41.9 Å²	41.9	12%	0.121	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.6	-16	174.2	78.8	-168.9	-75.4	-65.8	2.4	114.6	Y120 F145 G165 N166 S175 K176	Y120-R178 VanDerWaalsContact CE2-CA 3.5Å; Y120-R178 HydrophobicContact CE2-CB 4.25Å; F145-R178 HydrophobicContact CD1-CB 4.18Å; F145-R178 HydrophobicContact CD1-CG 4.32Å; F145-R178 WeakPolarHBondContact CD1-O 3.33Å; F145-R178 VanDerWaalsContact CE1-NH2 3.27Å; G165-R178 WeakPolarHBondContact O-CD 3.22Å; G165-R178 PolarHBondContact O-NE 3.16Å; N166-R178 VanDerWaalsContact CG-NH2 3.31Å; N166-R178 PolarHBondContact OD1-NH2 3.49Å; S175-R178 VanDerWaalsContact O-CD 3.23Å; S175-R178 WeakPolarHBondContact O-CD 3.16Å; S175-R178 WeakPolarHBondContact O-CG 3.36Å; K176-R178 PolarHBondContact O-N 3.44Å; K176-R178 VanDerWaalsContact O-N 3.15Å
179	L	93.9	Very high	88.2	Confident	18 Å²	18	37.3 Å²	37.3	9%	0.094	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-91.3	-4.9	-179.8	-56.1	178.5	0	0	0	112.3	V95 R103 G104 L105 K176 A177 N181	V95-L179 HydrophobicContact CG1-CD1 4.27Å; V95-L179 HydrophobicContact CG2-CD1 3.93Å; R103-L179 HydrophobicContact CB-CD2 4.32Å; G104-L179 VanDerWaalsContact CA-O 3.31Å; G104-L179 WeakPolarHBondContact CA-O 3.4Å; L105-L179 HydrophobicContact CD2-CB 4.34Å; L105-L179 HydrophobicContact CD2-CD1 4.33Å; L105-L179 HydrophobicContact CG-CB 4.25Å; K176-L179 VanDerWaalsContact O-CB 3.31Å; K176-L179 WeakPolarHBondContact O-CB 3.44Å; K176-L179 PolarHBondContact O-N 2.88Å; A177-L179 PolarHBondContact O-N 3.05Å; L179-N181 PolarHBondContact O-N 3.17Å
180	I	95.5	Very high	89.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-71.9	122	-177.5	-61.9	170	0	0	0	109.3	L105 C118 A177 L188 L204 L216 Y218 Y220	L105-I180 HydrophobicContact CB-CG1 4.21Å; L105-I180 HydrophobicContact CD1-CD1 4.08Å; L105-I180 HydrophobicContact CD1-CG1 3.68Å; L105-I180 HydrophobicContact CG-CG1 4.04Å; C118-I180 WeakPolarHBondContact SG-CD1 3.33Å; A177-I180 HydrophobicContact CB-CD1 4.41Å; A177-I180 WeakPolarHBondContact O-CB 3.27Å; A177-I180 WeakPolarHBondContact O-CG1 3.46Å; A177-I180 PolarHBondContact O-N 3.47Å; I180-L188 HydrophobicContact CD1-CD1 3.84Å; I180-L188 HydrophobicContact CG2-CD1 4.26Å; I180-L204 HydrophobicContact CD1-CD2 3.92Å; I180-L216 HydrophobicContact CG2-CB 4.42Å; I180-Y218 HydrophobicContact CB-CD1 4.1Å; I180-Y218 HydrophobicContact CB-CE1 4.13Å; I180-Y218 HydrophobicContact CG2-CD1 3.6Å; I180-Y218 HydrophobicContact CG2-CE1 4.11Å; I180-Y220 PolarHBondContact O-OH 2.78Å
181	N	94.8	Very high	90.8	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	160.5	-177.1	-72.7	-51.9	0	0	0	111.9	R103 L179 S217 Y218 Y220	R103-N181 PolarHBondContact O-ND2 3.2Å; L179-N181 PolarHBondContact O-N 3.17Å; N181-S217 WeakPolarHBondContact O-CA 3.43Å; N181-S217 WeakPolarHBondContact O-CB 3.49Å; N181-Y218 PolarHBondContact O-N 2.87Å; N181-Y220 WeakPolarHBondContact CA-OH 3.48Å
182	H	95	Very high	92.3	Very high	11 Å²	11	29.2 Å²	29.2	5%	0.051	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	143.3	176.3	177.6	48.4	0	0	0	112.7	C184 Y218 D219 Y220 R244 M247	H182-C184 PolarHBondContact NE2-SG 2.77Å; H182-Y218 WeakPolarHBondContact CA-O 3.23Å; H182-Y218 PolarHBondContact ND1-O 3.27Å; H182-D219 IonicContact CE1-OD1 2.75Å; H182-D219 PolarHBondContact CE1-OD1 3.05Å; H182-D219 IonicContact ND1-OD1 3.88Å; H182-Y220 HydrophobicContact CB-CD1 3.83Å; H182-Y220 HydrophobicContact CB-CD2 3.91Å; H182-Y220 HydrophobicContact CB-CE1 3.85Å; H182-Y220 HydrophobicContact CB-CE2 3.93Å; H182-Y220 HydrophobicContact CB-CG 3.88Å; H182-Y220 PolarHBondContact ND1-N 2.85Å; H182-R244 PolarHBondContact CE1-NH2 2.92Å; H182-R244 PolarHBondContact NE2-NH2 2.8Å; H182-M247 HydrophobicContact CB-CE 3.34Å; H182-M247 HydrophobicContact CB-SD 3.79Å; H182-M247 VanDerWaalsContact CD2-SD 3.54Å
183	S	96.4	Very high	93.9	Very high	11 Å²	11	24.2 Å²	24.2	8%	0.077	13%	0.132	C	C	.	.			trans	-138.9	143.1	158.4	178.5	0	0	0	0	111.2	T185 P186 S217 Y218	S183-T185 PolarHBondContact OG-N 2.83Å; S183-T185 VanDerWaalsContact OG-N 3.14Å; S183-T185 PolarHBondContact OG-O 3.4Å; S183-P186 WeakPolarHBondContact O-CD 3.17Å; S183-S217 VanDerWaalsContact CB-OG 3.27Å; S183-S217 WeakPolarHBondContact CB-OG 3.34Å; S183-Y218 PolarHBondContact N-O 2.83Å; S183-Y218 VanDerWaalsContact N-O 3.11Å
184	C	96.4	Very high	95	Very high	17 Å²	17	21 Å²	21	12%	0.115	11%	0.11	C	C	.	.	S	Bend	trans	-73.2	-17.8	171	-67.5	0	0	0	0	112.5	H182 P186 R244	H182-C184 PolarHBondContact NE2-SG 2.77Å; C184-P186 VanDerWaalsContact C-CD 3.49Å; C184-R244 PolarHBondContact SG-N 2.89Å
185	T	97	Very high	95.6	Very high	67 Å²	67	18.2 Å²	18.2	41%	0.411	10%	0.099	S	C	.	.	S	Bend	trans	-126.5	68.8	170.5	50.6	0	0	0	0	109.3	S183 S240	S183-T185 PolarHBondContact OG-N 2.83Å; S183-T185 VanDerWaalsContact OG-N 3.14Å; S183-T185 PolarHBondContact OG-O 3.4Å; T185-S240 WeakPolarHBondContact CB-OG 3.35Å; T185-S240 WeakPolarHBondContact CG2-OG 3.07Å; T185-S240 VanDerWaalsContact OG1-CB 3.23Å; T185-S240 WeakPolarHBondContact OG1-CB 3.37Å; T185-S240 PolarHBondContact OG1-OG 3.07Å
186	P	97.9	Very high	96	Very high	21 Å²	21	19.5 Å²	19.5	14%	0.136	10%	0.104	C	C	.	.			trans	-67.9	168.1	-170.3	30.2	-36.4	0	0	0	112.9	S183 C184 N207 K208 S217 Y218 D219	S183-P186 WeakPolarHBondContact O-CD 3.17Å; C184-P186 VanDerWaalsContact C-CD 3.49Å; P186-N207 PolarHBondContact O-OD1 3.29Å; P186-K208 WeakPolarHBondContact O-CE 3.26Å; P186-K208 PolarHBondContact O-NZ 3.04Å; P186-S217 WeakPolarHBondContact CB-O 3.5Å; P186-Y218 VanDerWaalsContact CB-CA 3.42Å; P186-D219 HydrophobicContact CG-CB 4.14Å
187	N	98.5	Very high	96.3	Very high	12 Å²	12	16.2 Å²	16.2	6%	0.064	9%	0.091	C	C	.	.	S	Bend	trans	-108.7	-5	170	56.2	12.6	0	0	0	114.2	A206 N207 K208 I210 Q215 L216 S217	N187-A206 WeakPolarHBondContact O-CA 3.49Å; N187-N207 WeakPolarHBondContact CA-OD1 3.17Å; N187-N207 PolarHBondContact O-N 2.94Å; N187-N207 PolarHBondContact O-OD1 3.5Å; N187-K208 HydrophobicContact CB-CD 4.23Å; N187-K208 HydrophobicContact CB-CG 4.15Å; N187-I210 HydrophobicContact CB-CD1 3.89Å; N187-I210 HydrophobicContact CB-CG1 4.07Å; N187-Q215 PolarHBondContact ND2-O 3.26Å; N187-L216 WeakPolarHBondContact OD1-CA 3.23Å; N187-S217 PolarHBondContact N-O 2.94Å; N187-S217 PolarHBondContact OD1-N 3.24Å; N187-S217 PolarHBondContact OD1-O 3.05Å
188	L	98.6	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.3	170.4	-56.1	177.8	0	0	0	110.7	V117 I180 L204 F205 A206 N207 I210 L216 S217	V117-L188 HydrophobicContact CB-CD2 4.03Å; V117-L188 HydrophobicContact CG1-CD2 4.37Å; V117-L188 HydrophobicContact CG2-CD2 3.64Å; I180-L188 HydrophobicContact CD1-CD1 3.84Å; I180-L188 HydrophobicContact CG2-CD1 4.26Å; L188-L204 HydrophobicContact CB-CB 4.45Å; L188-L204 HydrophobicContact CB-CD2 4.29Å; L188-L204 HydrophobicContact CD1-CB 4.22Å; L188-L204 HydrophobicContact CD1-CD2 3.93Å; L188-F205 CarbonylContact C-O 3.6Å; L188-F205 VanDerWaalsContact CA-O 3.24Å; L188-F205 WeakPolarHBondContact CA-O 3.36Å; L188-A206 HydrophobicContact CD2-CB 4.36Å; L188-N207 VanDerWaalsContact C-ND2 3.35Å; L188-N207 PolarHBondContact O-ND2 3.24Å; L188-I210 HydrophobicContact CD2-CD1 3.84Å; L188-L216 HydrophobicContact CD1-CB 4.01Å; L188-L216 HydrophobicContact CD2-CD2 4.4Å; L188-S217 WeakPolarHBondContact CB-O 3.41Å; L188-S217 PolarHBondContact N-O 3.33Å
189	T	98.2	Very high	96.5	Very high	18 Å²	18	19.3 Å²	19.3	11%	0.11	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	168.5	-66.1	0	0	0	0	108.5	V191 L204 F205 N207 Q222	T189-V191 HydrophobicContact CG2-CG2 4.11Å; T189-L204 WeakPolarHBondContact O-CA 3.12Å; T189-F205 PolarHBondContact N-O 3.44Å; T189-F205 PolarHBondContact O-N 3.06Å; T189-N207 WeakPolarHBondContact OG1-CB 3.29Å; T189-N207 PolarHBondContact OG1-ND2 3.42Å; T189-N207 VanDerWaalsContact OG1-ND2 3.14Å; T189-Q222 VanDerWaalsContact CA-OE1 3.31Å
190	V	98	Very high	96.6	Very high	7 Å²	7	18.5 Å²	18.5	4%	0.042	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.2	173.7	-171.8	0	0	0	0	109	M147 M149 L202 A203 L204 Y218 Q222	M147-V190 HydrophobicContact CE-CG2 4.19Å; M147-V190 HydrophobicContact SD-CG1 4.02Å; M149-V190 HydrophobicContact SD-CG1 4.31Å; V190-L202 HydrophobicContact CG1-CB 4.13Å; V190-A203 CarbonylContact C-O 3.58Å; V190-A203 WeakPolarHBondContact CA-O 3.49Å; V190-L204 HydrophobicContact CG2-CD2 4.16Å; V190-L204 HydrophobicContact CG2-CG 4.19Å; V190-Y218 HydrophobicContact CG2-CD2 3.54Å; V190-Y218 HydrophobicContact CG2-CE2 4.11Å; V190-Y218 HydrophobicContact CG2-CG 3.94Å; V190-Q222 PolarHBondContact O-NE2 3.09Å
191	V	98	Very high	96.6	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.024	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.1	-179	-179.5	0	0	0	0	108.6	L49 V56 T189 V193 A203 F205	L49-V191 HydrophobicContact CD2-CG2 3.79Å; V56-V191 HydrophobicContact CG2-CG1 3.8Å; T189-V191 HydrophobicContact CG2-CG2 4.11Å; V191-V193 HydrophobicContact CG1-CG2 4.21Å; V191-V193 PolarHBondContact O-N 2.92Å; V191-A203 PolarHBondContact N-O 3.33Å; V191-A203 PolarHBondContact O-N 3.11Å; V191-F205 HydrophobicContact CB-CD2 3.91Å; V191-F205 HydrophobicContact CB-CE2 3.99Å; V191-F205 HydrophobicContact CG2-CD2 3.82Å; V191-F205 HydrophobicContact CG2-CE2 4.35Å
192	P	97.7	Very high	96.7	Very high	7 Å²	7	19 Å²	19	5%	0.045	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.5	171.1	-10	26.6	0	0	0	108.9	P55 V56 M149 E151 P200	P55-P192 WeakPolarHBondContact CA-O 3.39Å; P55-P192 HydrophobicContact CB-CB 4.23Å; P55-P192 HydrophobicContact CB-CG 4.36Å; V56-P192 PolarHBondContact N-O 3.33Å; M149-P192 HydrophobicContact CE-CG 3.48Å; M149-P192 VanDerWaalsContact CE-CG 3.48Å; M149-P192 HydrophobicContact CG-CG 4.04Å; M149-P192 HydrophobicContact SD-CG 4.46Å; E151-P192 HydrophobicContact CG-CG 4.08Å; P192-P200 HydrophobicContact CB-CB 3.63Å; P192-P200 HydrophobicContact CB-CG 3.93Å
193	V	98	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.6	178.5	-175.3	0	0	0	0	109.3	V56 E58 V74 V191 P200 Y201 A203 F205	V56-V193 HydrophobicContact CB-CB 4.48Å; V56-V193 HydrophobicContact CB-CG1 4.19Å; V56-V193 HydrophobicContact CB-CG2 4.1Å; V56-V193 HydrophobicContact CG1-CG1 4.29Å; V56-V193 HydrophobicContact CG2-CG2 4.47Å; V56-V193 WeakPolarHBondContact O-CA 3.23Å; E58-V193 HydrophobicContact CG-CG1 3.71Å; V74-V193 HydrophobicContact CB-CG1 4.11Å; V74-V193 HydrophobicContact CG2-CB 3.98Å; V74-V193 HydrophobicContact CG2-CG1 3.8Å; V74-V193 HydrophobicContact CG2-CG2 3.86Å; V191-V193 HydrophobicContact CG1-CG2 4.21Å; V191-V193 PolarHBondContact O-N 2.92Å; V193-P200 WeakPolarHBondContact O-CA 3.13Å; V193-Y201 PolarHBondContact N-O 3.15Å; V193-Y201 PolarHBondContact O-N 3.3Å; V193-A203 HydrophobicContact CG2-CB 3.8Å; V193-F205 HydrophobicContact CG2-CE2 4.22Å
194	R	97.3	Very high	96.9	Very high	17 Å²	17	18 Å²	18	6%	0.064	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.8	177.8	-68.7	175.9	176.1	87.6	4.6	110	L18 V56 F57 E58 E151 F198 P200	L18-R194 HydrophobicContact CD1-CB 3.9Å; V56-R194 PolarHBondContact O-N 3.15Å; F57-R194 HydrophobicContact CD1-CB 3.85Å; F57-R194 HydrophobicContact CE1-CB 4Å; F57-R194 HydrophobicContact CE1-CG 4.31Å; F57-R194 HydrophobicContact CG-CB 4.44Å; E58-R194 PolarHBondContact N-O 3.44Å; E151-R194 VanDerWaalsContact CD-NH2 3.27Å; E151-R194 IonicContact OE1-CZ 3.71Å; E151-R194 IonicContact OE1-NH1 3.85Å; E151-R194 IonicContact OE1-NH2 2.73Å; E151-R194 PolarHBondContact OE1-NH2 2.93Å; E151-R194 IonicContact OE2-CZ 3.37Å; E151-R194 IonicContact OE2-NH1 2.79Å; E151-R194 PolarHBondContact OE2-NH1 3.14Å; E151-R194 IonicContact OE2-NH2 3.03Å; E151-R194 PolarHBondContact OE2-NH2 3.14Å; R194-F198 PolarHBondContact NE-O 3.36Å; R194-P200 HydrophobicContact CG-CB 4.03Å
195	V	96.3	Very high	97	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	9%	0.091	C	C	.	.	S	Bend	trans	-119.9	-84.6	179.9	-177.1	0	0	0	0	108.2	L18 E58 N60 Q75 Y201	L18-V195 WeakPolarHBondContact CD1-O 3.15Å; E58-V195 HydrophobicContact CB-CG2 4.25Å; N60-V195 HydrophobicContact CB-CG1 4.04Å; N60-V195 WeakPolarHBondContact CB-O 3.35Å; N60-V195 PolarHBondContact ND2-O 3.16Å; N60-V195 VanDerWaalsContact ND2-O 3.1Å; Q75-V195 HydrophobicContact CG-CG1 3.68Å; Q75-V195 HydrophobicContact CG-CG2 4Å; V195-Y201 HydrophobicContact CB-CE2 4.47Å; V195-Y201 HydrophobicContact CG2-CD2 4.01Å; V195-Y201 HydrophobicContact CG2-CE2 4.05Å
196	D	95.1	Very high	97.1	Very high	56 Å²	56	14 Å²	14	30%	0.299	7%	0.071	S	C	.	.	S	Bend	trans	-92.4	-35.8	-176	-69	-53.4	0	0	0	113.2	Q17 L18 N60 S61	Q17-D196 CarbonylContact C-O 3.58Å; Q17-D196 WeakPolarHBondContact CA-O 3.35Å; Q17-D196 PolarHBondContact NE2-O 3.2Å; Q17-D196 PolarHBondContact NE2-OD1 2.86Å; Q17-D196 PolarHBondContact OE1-O 2.86Å; L18-D196 PolarHBondContact N-O 2.97Å; N60-D196 WeakPolarHBondContact CB-OD1 3.44Å; S61-D196 VanDerWaalsContact CB-OD1 3.23Å; S61-D196 WeakPolarHBondContact CB-OD1 3.44Å; S61-D196 PolarHBondContact N-OD1 2.93Å; S61-D196 PolarHBondContact OG-OD1 2.95Å
197	S	93.9	Very high	97.1	Very high	13 Å²	13	14.8 Å²	14.8	9%	0.091	7%	0.074	C	C	.	.	S	Bend	trans	-119.8	175.1	180	77.7	0	0	0	0	112.8	L18 I199	L18-S197 VanDerWaalsContact CD1-O 3.3Å; L18-S197 WeakPolarHBondContact CD1-O 3.45Å; S197-I199 PolarHBondContact O-N 3.37Å; S197-I199 PolarHBondContact OG-N 2.82Å
198	F	93.5	Very high	97.1	Very high	82 Å²	82	18.6 Å²	18.6	36%	0.36	9%	0.09	S	C	.	.	S	Bend	trans	-74	-13.2	174.1	-75.8	-77.6	0	0	0	113.9	E16 L18 R194 P200	E16-F198 HydrophobicContact CB-CD2 4.47Å; E16-F198 HydrophobicContact CG-CD2 4.08Å; E16-F198 HydrophobicContact CG-CE2 3.92Å; E16-F198 WeakPolarHBondContact OE1-CE2 3.11Å; L18-F198 HydrophobicContact CD2-CD1 4Å; L18-F198 HydrophobicContact CD2-CD2 4.17Å; L18-F198 HydrophobicContact CD2-CE1 3.57Å; L18-F198 HydrophobicContact CD2-CE2 3.76Å; L18-F198 HydrophobicContact CD2-CG 4.29Å; L18-F198 HydrophobicContact CD2-CZ 3.44Å; L18-F198 VanDerWaalsContact CD2-CZ 3.44Å; R194-F198 PolarHBondContact NE-O 3.36Å; F198-P200 WeakPolarHBondContact O-CD 3.36Å
199	I	95.8	Very high	97.1	Very high	16 Å²	16	21.9 Å²	21.9	8%	0.082	11%	0.11	C	C	.	.	S	Bend	trans	-77.5	115.1	173.3	-59.7	174.2	0	0	0	108.1	L3 Y5 I9 L13 I14 V124 T161 S197	L3-I199 HydrophobicContact CD1-CG2 4.03Å; Y5-I199 HydrophobicContact CD1-CD1 4Å; Y5-I199 HydrophobicContact CE1-CB 4.46Å; Y5-I199 HydrophobicContact CE1-CD1 3.51Å; Y5-I199 HydrophobicContact CE1-CG2 4.19Å; I9-I199 HydrophobicContact CG2-CD1 4.04Å; L13-I199 HydrophobicContact CB-CD1 4.09Å; L13-I199 HydrophobicContact CB-CG1 4.35Å; I14-I199 HydrophobicContact CG1-CD1 4.03Å; V124-I199 HydrophobicContact CG1-CG2 4.1Å; V124-I199 HydrophobicContact CG2-CG2 4.18Å; T161-I199 HydrophobicContact CG2-CG2 4.26Å; S197-I199 PolarHBondContact O-N 3.37Å; S197-I199 PolarHBondContact OG-N 2.82Å
200	P	96.8	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.105	C	C	.	.			trans	-81.3	148.5	-174.6	32.8	-34.2	0	0	0	112.1	T161 P192 V193 R194 F198 L202	T161-P200 HydrophobicContact CG2-CG 4.4Å; T161-P200 WeakPolarHBondContact OG1-CD 3.2Å; P192-P200 HydrophobicContact CB-CB 3.63Å; P192-P200 HydrophobicContact CB-CG 3.93Å; V193-P200 WeakPolarHBondContact O-CA 3.13Å; R194-P200 HydrophobicContact CG-CB 4.03Å; F198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-L202 HydrophobicContact CG-CD2 4.17Å
201	Y	96.6	Very high	97.1	Very high	34 Å²	34	27 Å²	27	13%	0.133	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.4	153.4	-69.4	-79.7	0	0	0	109.5	L3 V74 L78 V119 L121 V193 V195 A203	L3-Y201 HydrophobicContact CD1-CD1 4.3Å; L3-Y201 HydrophobicContact CD1-CE1 4.18Å; L3-Y201 HydrophobicContact CD2-CD1 3.74Å; L3-Y201 HydrophobicContact CD2-CE1 3.67Å; L3-Y201 HydrophobicContact CG-CD1 3.97Å; L3-Y201 HydrophobicContact CG-CE1 3.53Å; V74-Y201 HydrophobicContact CG1-CD2 4.22Å; V74-Y201 HydrophobicContact CG1-CG 4.11Å; L78-Y201 HydrophobicContact CD1-CD1 3.87Å; L78-Y201 HydrophobicContact CD1-CD2 4.2Å; L78-Y201 HydrophobicContact CD1-CE1 3.41Å; L78-Y201 VanDerWaalsContact CD1-CE1 3.41Å; L78-Y201 HydrophobicContact CD1-CE2 3.8Å; L78-Y201 HydrophobicContact CD1-CG 4.23Å; L78-Y201 HydrophobicContact CD2-CE1 4.29Å; V119-Y201 HydrophobicContact CG1-CD1 4Å; V119-Y201 HydrophobicContact CG1-CG 4.44Å; L121-Y201 HydrophobicContact CD2-CD1 4.07Å; L121-Y201 HydrophobicContact CD2-CE1 4.17Å; V193-Y201 PolarHBondContact N-O 3.15Å; V193-Y201 PolarHBondContact O-N 3.3Å; V195-Y201 HydrophobicContact CB-CE2 4.47Å; V195-Y201 HydrophobicContact CG2-CD2 4.01Å; V195-Y201 HydrophobicContact CG2-CE2 4.05Å; Y201-A203 PolarHBondContact O-N 3.41Å
202	L	96.9	Very high	97.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	89.7	175.8	-54.4	-173.4	0	0	0	108.9	Y120 M147 M149 V163 V190 P200	Y120-L202 PolarHBondContact N-O 3.48Å; M147-L202 HydrophobicContact CB-CD1 4.32Å; M147-L202 HydrophobicContact CG-CD1 3.76Å; M147-L202 HydrophobicContact SD-CB 3.83Å; M147-L202 HydrophobicContact SD-CD1 3.45Å; M147-L202 WeakPolarHBondContact SD-CD1 3.18Å; M147-L202 HydrophobicContact SD-CG 4.28Å; M149-L202 HydrophobicContact CB-CD1 3.91Å; M149-L202 HydrophobicContact CB-CD2 3.56Å; M149-L202 HydrophobicContact CB-CG 4.41Å; M149-L202 HydrophobicContact CG-CD2 3.76Å; V163-L202 HydrophobicContact CB-CD1 4.35Å; V163-L202 HydrophobicContact CG2-CD1 3.68Å; V163-L202 HydrophobicContact CG2-CG 4.21Å; V190-L202 HydrophobicContact CG1-CB 4.13Å; P200-L202 HydrophobicContact CG-CD2 4.17Å
203	A	97.1	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.3	-174.4	0	0	0	0	0	111.2	V74 L116 V119 V190 V191 V193 Y201 F205	V74-A203 HydrophobicContact CG2-CB 3.82Å; L116-A203 HydrophobicContact CD1-CB 3.86Å; V119-A203 HydrophobicContact CG2-CB 4.47Å; V190-A203 CarbonylContact C-O 3.58Å; V190-A203 WeakPolarHBondContact CA-O 3.49Å; V191-A203 PolarHBondContact N-O 3.33Å; V191-A203 PolarHBondContact O-N 3.11Å; V193-A203 HydrophobicContact CG2-CB 3.8Å; Y201-A203 PolarHBondContact O-N 3.41Å; A203-F205 HydrophobicContact CB-CD2 4.17Å; A203-F205 HydrophobicContact CB-CE2 3.49Å; A203-F205 VanDerWaalsContact CB-CE2 3.49Å; A203-F205 HydrophobicContact CB-CZ 4.15Å
204	L	97.9	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.7	178.8	-67.2	97.8	0	0	0	110.3	V117 C118 A177 I180 L188 T189 V190 Y218	V117-L204 PolarHBondContact N-O 3.31Å; C118-L204 PolarHBondContact N-O 3.07Å; C118-L204 PolarHBondContact O-N 2.71Å; A177-L204 HydrophobicContact CB-CD1 4.46Å; I180-L204 HydrophobicContact CD1-CD2 3.92Å; L188-L204 HydrophobicContact CB-CB 4.45Å; L188-L204 HydrophobicContact CB-CD2 4.29Å; L188-L204 HydrophobicContact CD1-CB 4.22Å; L188-L204 HydrophobicContact CD1-CD2 3.93Å; T189-L204 WeakPolarHBondContact O-CA 3.12Å; V190-L204 HydrophobicContact CG2-CD2 4.16Å; V190-L204 HydrophobicContact CG2-CG 4.19Å; L204-Y218 HydrophobicContact CD2-CD1 3.72Å; L204-Y218 HydrophobicContact CD2-CE1 4.35Å; L204-Y218 HydrophobicContact CD2-CG 4.04Å
205	F	98.5	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.3	178.5	-66.6	-91.7	0	0	0	111.1	Y43 L49 V73 V74 G114 E115 L116 L188 T189 V191 V193 A203 N207	Y43-F205 AromaticContact CE1-CE1 3.84Å; Y43-F205 HydrophobicContact CE1-CE1 3.84Å; Y43-F205 AromaticContact CE1-CZ 3.81Å; Y43-F205 HydrophobicContact CE1-CZ 3.81Å; L49-F205 HydrophobicContact CB-CB 4.47Å; L49-F205 HydrophobicContact CB-CD1 3.74Å; L49-F205 HydrophobicContact CB-CE1 4.09Å; L49-F205 HydrophobicContact CB-CG 4.1Å; L49-F205 HydrophobicContact CD1-CZ 4.47Å; L49-F205 HydrophobicContact CD2-CB 3.88Å; L49-F205 HydrophobicContact CD2-CD1 4.25Å; L49-F205 HydrophobicContact CD2-CD2 3.88Å; L49-F205 HydrophobicContact CD2-CE2 4.46Å; L49-F205 HydrophobicContact CD2-CG 3.75Å; L49-F205 HydrophobicContact CG-CD1 4.47Å; L49-F205 HydrophobicContact CG-CG 4.44Å; V73-F205 HydrophobicContact CG1-CE1 4.45Å; V74-F205 HydrophobicContact CG2-CZ 4.3Å; G114-F205 WeakPolarHBondContact O-CD1 3.45Å; E115-F205 CarbonylContact O-C 3.55Å; E115-F205 WeakPolarHBondContact O-CA 3.25Å; L116-F205 HydrophobicContact CB-CD1 3.93Å; L116-F205 HydrophobicContact CB-CE1 3.61Å; L116-F205 HydrophobicContact CB-CZ 4.31Å; L116-F205 HydrophobicContact CD1-CD1 4.27Å; L116-F205 HydrophobicContact CD1-CD2 4.48Å; L116-F205 HydrophobicContact CD1-CE1 3.95Å; L116-F205 HydrophobicContact CD1-CE2 4.17Å; L116-F205 HydrophobicContact CD1-CZ 3.88Å; L116-F205 HydrophobicContact CG-CE1 4.28Å; L188-F205 CarbonylContact C-O 3.6Å; L188-F205 VanDerWaalsContact CA-O 3.24Å; L188-F205 WeakPolarHBondContact CA-O 3.36Å; T189-F205 PolarHBondContact N-O 3.44Å; T189-F205 PolarHBondContact O-N 3.06Å; V191-F205 HydrophobicContact CB-CD2 3.91Å; V191-F205 HydrophobicContact CB-CE2 3.99Å; V191-F205 HydrophobicContact CG2-CD2 3.82Å; V191-F205 HydrophobicContact CG2-CE2 4.35Å; V193-F205 HydrophobicContact CG2-CE2 4.22Å; A203-F205 HydrophobicContact CB-CD2 4.17Å; A203-F205 HydrophobicContact CB-CE2 3.49Å; A203-F205 VanDerWaalsContact CB-CE2 3.49Å; A203-F205 HydrophobicContact CB-CZ 4.15Å; F205-N207 PolarHBondContact O-N 3.43Å
206	A	98.6	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.7	173.5	0	0	0	0	0	111	F52 I111 Q112 G114 E115 V117 N187 L188 I210	F52-A206 WeakPolarHBondContact CE1-O 3.48Å; I111-A206 HydrophobicContact CG2-CB 3.77Å; Q112-A206 VanDerWaalsContact O-CB 3.29Å; Q112-A206 WeakPolarHBondContact O-CB 3.3Å; G114-A206 PolarHBondContact N-O 3.19Å; E115-A206 PolarHBondContact O-N 3.27Å; V117-A206 HydrophobicContact CG2-CB 4.06Å; N187-A206 WeakPolarHBondContact O-CA 3.49Å; L188-A206 HydrophobicContact CD2-CB 4.36Å; A206-I210 HydrophobicContact CB-CD1 3.79Å; A206-I210 HydrophobicContact CB-CG1 4.2Å
207	N	98.4	Very high	97.1	Very high	38 Å²	38	37.5 Å²	37.5	20%	0.203	20%	0.195	C	C	.	.	S	Bend	trans	-90.5	-5.8	-178.7	64.9	31.4	0	0	0	114	F52 R113 P186 N187 L188 T189 F205	F52-N207 HydrophobicContact CD1-CB 4.16Å; F52-N207 HydrophobicContact CE1-CB 4.15Å; R113-N207 WeakPolarHBondContact CD-O 3.34Å; R113-N207 PolarHBondContact NE-O 3.02Å; P186-N207 PolarHBondContact O-OD1 3.29Å; N187-N207 WeakPolarHBondContact CA-OD1 3.17Å; N187-N207 PolarHBondContact O-N 2.94Å; N187-N207 PolarHBondContact O-OD1 3.5Å; L188-N207 VanDerWaalsContact C-ND2 3.35Å; L188-N207 PolarHBondContact O-ND2 3.24Å; T189-N207 WeakPolarHBondContact OG1-CB 3.29Å; T189-N207 PolarHBondContact OG1-ND2 3.42Å; T189-N207 VanDerWaalsContact OG1-ND2 3.14Å; F205-N207 PolarHBondContact O-N 3.43Å
208	K	98.4	Very high	97.3	Very high	91 Å²	91	37.7 Å²	37.7	40%	0.396	19%	0.193	S	C	.	.	S	Bend	trans	-149.4	168.9	173	68.7	-169.1	102.3	179.2	0	108.4	P186 N187 I210	P186-K208 WeakPolarHBondContact O-CE 3.26Å; P186-K208 PolarHBondContact O-NZ 3.04Å; N187-K208 HydrophobicContact CB-CD 4.23Å; N187-K208 HydrophobicContact CB-CG 4.15Å; K208-I210 WeakPolarHBondContact O-CG1 3.13Å; K208-I210 PolarHBondContact O-N 3.38Å
209	V	98.5	Very high	97.4	Very high	69 Å²	69	34.8 Å²	34.8	42%	0.418	18%	0.182	S	C	.	.			trans	-63	132.9	170.2	179.7	0	0	0	0	108.9	E110 I111 F211	E110-V209 HydrophobicContact CG-CG1 4.05Å; I111-V209 WeakPolarHBondContact O-CA 3.47Å; V209-F211 HydrophobicContact CG1-CE1 4.26Å; V209-F211 HydrophobicContact CG1-CZ 4.49Å
210	I	98.5	Very high	97.4	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.015	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-115.9	113	-179.9	-48.5	-179.5	0	0	0	108.1	A107 E110 I111 N187 L188 A206 K208 T214 L216	A107-I210 HydrophobicContact CB-CG2 3.82Å; E110-I210 WeakPolarHBondContact CA-O 3.38Å; I111-I210 HydrophobicContact CB-CB 4.16Å; I111-I210 PolarHBondContact N-O 3.34Å; I111-I210 PolarHBondContact O-N 3.43Å; N187-I210 HydrophobicContact CB-CD1 3.89Å; N187-I210 HydrophobicContact CB-CG1 4.07Å; L188-I210 HydrophobicContact CD2-CD1 3.84Å; A206-I210 HydrophobicContact CB-CD1 3.79Å; A206-I210 HydrophobicContact CB-CG1 4.2Å; K208-I210 WeakPolarHBondContact O-CG1 3.13Å; K208-I210 PolarHBondContact O-N 3.38Å; I210-T214 HydrophobicContact CG2-CG2 3.93Å; I210-L216 HydrophobicContact CD1-CD2 3.66Å; I210-L216 HydrophobicContact CG2-CD2 3.99Å
211	F	98.3	Very high	97.2	Very high	129 Å²	129	36.9 Å²	36.9	57%	0.566	19%	0.189	S	C	*	.			trans	-72.4	150.1	177.3	-60.5	-67	0	0	0	111.3	V209 G213 T214	V209-F211 HydrophobicContact CG1-CE1 4.26Å; V209-F211 HydrophobicContact CG1-CZ 4.49Å; F211-G213 PolarHBondContact O-N 3.45Å; F211-T214 WeakPolarHBondContact O-CB 3.49Å; F211-T214 PolarHBondContact O-N 2.83Å; F211-T214 VanDerWaalsContact O-N 3.07Å; F211-T214 PolarHBondContact O-OG1 2.89Å
212	E	97.7	Very high	97.1	Very high	142 Å²	142	38.4 Å²	38.4	66%	0.664	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	139.6	172.9	-176.4	-177.8	165.5	0	0	111.2	T214	E212-T214 PolarHBondContact O-N 3.45Å
213	G	96.5	Very high	96.9	Very high	44 Å²	44	39 Å²	39	45%	0.454	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-16.3	-179	0	0	0	0	0	114.2	A107 F211 Q215	A107-G213 PolarHBondContact O-N 2.93Å; F211-G213 PolarHBondContact O-N 3.45Å; G213-Q215 PolarHBondContact O-N 3.49Å
214	T	96.7	Very high	96.6	Very high	54 Å²	54	39.8 Å²	39.8	33%	0.331	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-69.6	130.3	-178.6	-55.2	0	0	0	0	111.1	K106 A107 I210 F211 E212 L216	K106-T214 CarbonylContact C-O 3.54Å; K106-T214 VanDerWaalsContact CA-O 3.23Å; K106-T214 WeakPolarHBondContact CA-O 3.31Å; K106-T214 WeakPolarHBondContact CB-O 3.31Å; A107-T214 PolarHBondContact N-O 3.5Å; I210-T214 HydrophobicContact CG2-CG2 3.93Å; F211-T214 WeakPolarHBondContact O-CB 3.49Å; F211-T214 PolarHBondContact O-N 2.83Å; F211-T214 VanDerWaalsContact O-N 3.07Å; F211-T214 PolarHBondContact O-OG1 2.89Å; E212-T214 PolarHBondContact O-N 3.45Å; T214-L216 PolarHBondContact O-N 2.68Å
215	Q	95.9	Very high	96.1	Very high	56 Å²	56	41.2 Å²	41.2	26%	0.262	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-62.3	129	174.4	-173.1	68.4	33.7	0	0	110.5	T96 L105 N187 G213	T96-Q215 PolarHBondContact OG1-OE1 2.9Å; L105-Q215 VanDerWaalsContact N-NE2 3.19Å; L105-Q215 PolarHBondContact O-NE2 2.71Å; N187-Q215 PolarHBondContact ND2-O 3.26Å; G213-Q215 PolarHBondContact O-N 3.49Å
216	L	97.4	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-79.9	139.6	174.4	-61.2	179.8	0	0	0	110.1	T93 L105 A107 I111 V117 I180 N187 L188 I210 T214	T93-L216 HydrophobicContact CG2-CD1 3.58Å; L105-L216 HydrophobicContact CB-CB 4.31Å; L105-L216 HydrophobicContact CB-CD1 4.05Å; L105-L216 WeakPolarHBondContact O-CB 3.4Å; L105-L216 PolarHBondContact O-N 2.92Å; A107-L216 HydrophobicContact CB-CD2 4.39Å; I111-L216 HydrophobicContact CD1-CD2 4.44Å; V117-L216 HydrophobicContact CG1-CD1 3.82Å; I180-L216 HydrophobicContact CG2-CB 4.42Å; N187-L216 WeakPolarHBondContact OD1-CA 3.23Å; L188-L216 HydrophobicContact CD1-CB 4.01Å; L188-L216 HydrophobicContact CD2-CD2 4.4Å; I210-L216 HydrophobicContact CD1-CD2 3.66Å; I210-L216 HydrophobicContact CG2-CD2 3.99Å; T214-L216 PolarHBondContact O-N 2.68Å
217	S	97.3	Very high	95.2	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	148.8	-179.8	57.1	0	0	0	0	112.4	N181 S183 P186 N187 L188	N181-S217 WeakPolarHBondContact O-CA 3.43Å; N181-S217 WeakPolarHBondContact O-CB 3.49Å; S183-S217 VanDerWaalsContact CB-OG 3.27Å; S183-S217 WeakPolarHBondContact CB-OG 3.34Å; P186-S217 WeakPolarHBondContact CB-O 3.5Å; N187-S217 PolarHBondContact N-O 2.94Å; N187-S217 PolarHBondContact OD1-N 3.24Å; N187-S217 PolarHBondContact OD1-O 3.05Å; L188-S217 WeakPolarHBondContact CB-O 3.41Å; L188-S217 PolarHBondContact N-O 3.33Å
218	Y	97.4	Very high	94.7	Very high	16 Å²	16	55 Å²	55	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.7	169	73.3	-83.2	0	0	0	110.6	M147 I180 N181 H182 S183 P186 V190 L204 Y220	M147-Y218 HydrophobicContact CE-CD2 4.39Å; M147-Y218 HydrophobicContact CE-CE1 3.9Å; M147-Y218 HydrophobicContact CE-CE2 3.57Å; M147-Y218 VanDerWaalsContact CE-OH 3.23Å; M147-Y218 WeakPolarHBondContact CE-OH 3.12Å; I180-Y218 HydrophobicContact CB-CD1 4.1Å; I180-Y218 HydrophobicContact CB-CE1 4.13Å; I180-Y218 HydrophobicContact CG2-CD1 3.6Å; I180-Y218 HydrophobicContact CG2-CE1 4.11Å; N181-Y218 PolarHBondContact O-N 2.87Å; H182-Y218 WeakPolarHBondContact CA-O 3.23Å; H182-Y218 PolarHBondContact ND1-O 3.27Å; S183-Y218 PolarHBondContact N-O 2.83Å; S183-Y218 VanDerWaalsContact N-O 3.11Å; P186-Y218 VanDerWaalsContact CB-CA 3.42Å; V190-Y218 HydrophobicContact CG2-CD2 3.54Å; V190-Y218 HydrophobicContact CG2-CE2 4.11Å; V190-Y218 HydrophobicContact CG2-CG 3.94Å; L204-Y218 HydrophobicContact CD2-CD1 3.72Å; L204-Y218 HydrophobicContact CD2-CE1 4.35Å; L204-Y218 HydrophobicContact CD2-CG 4.04Å; Y218-Y220 HydrophobicContact CD1-CD1 4.34Å; Y218-Y220 HydrophobicContact CD1-CE1 4.05Å; Y218-Y220 AromaticContact CD2-CD1 3.9Å; Y218-Y220 HydrophobicContact CD2-CD1 3.9Å; Y218-Y220 HydrophobicContact CD2-CE1 4.41Å; Y218-Y220 AromaticContact CE1-CD1 3.85Å; Y218-Y220 HydrophobicContact CE1-CD1 3.85Å; Y218-Y220 AromaticContact CE1-CE1 3.41Å; Y218-Y220 HydrophobicContact CE1-CE1 3.41Å; Y218-Y220 VanDerWaalsContact CE1-CE1 3.41Å; Y218-Y220 AromaticContact CE2-CD1 3.34Å; Y218-Y220 HydrophobicContact CE2-CD1 3.34Å; Y218-Y220 AromaticContact CE2-CE1 3.83Å; Y218-Y220 HydrophobicContact CE2-CE1 3.83Å; Y218-Y220 HydrophobicContact CE2-CG 4.3Å; Y218-Y220 HydrophobicContact CG-CD1 4.35Å; Y218-Y220 AromaticContact CZ-CD1 3.3Å; Y218-Y220 AromaticContact CZ-CE1 3.26Å; Y218-Y220 WeakPolarHBondContact OH-CE1 3.4Å
219	D	96.3	Very high	94.3	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.112	29%	0.285	C	S	.	.			trans	-82.4	117.1	173.1	-171.1	-12.2	0	0	0	109.7	H182 P186 A221 Q222 R244	H182-D219 IonicContact CE1-OD1 2.75Å; H182-D219 PolarHBondContact CE1-OD1 3.05Å; H182-D219 IonicContact ND1-OD1 3.88Å; P186-D219 HydrophobicContact CG-CB 4.14Å; D219-A221 PolarHBondContact O-N 2.86Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 PolarHBondContact OD1-N 3.19Å; D219-Q222 HydrophobicContact CB-CB 4.09Å; D219-Q222 VanDerWaalsContact O-CB 3.23Å; D219-Q222 WeakPolarHBondContact O-CB 3.32Å; D219-Q222 PolarHBondContact O-N 3.34Å; D219-R244 VanDerWaalsContact CG-NH2 3.31Å; D219-R244 IonicContact OD1-CZ 3.81Å; D219-R244 IonicContact OD1-NH1 3.68Å; D219-R244 IonicContact OD1-NH2 3.77Å; D219-R244 PolarHBondContact OD1-NH2 3.43Å; D219-R244 IonicContact OD2-CZ 2.76Å; D219-R244 IonicContact OD2-NH1 3.42Å; D219-R244 PolarHBondContact OD2-NH1 3.47Å; D219-R244 IonicContact OD2-NH2 2.87Å; D219-R244 PolarHBondContact OD2-NH2 2.62Å
220	Y	95.2	Very high	94	Very high	58 Å²	58	59 Å²	59	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.3	179.8	-70.9	6.7	0	0	0	112.1	I180 N181 H182 Y218 M247	I180-Y220 PolarHBondContact O-OH 2.78Å; N181-Y220 WeakPolarHBondContact CA-OH 3.48Å; H182-Y220 HydrophobicContact CB-CD1 3.83Å; H182-Y220 HydrophobicContact CB-CD2 3.91Å; H182-Y220 HydrophobicContact CB-CE1 3.85Å; H182-Y220 HydrophobicContact CB-CE2 3.93Å; H182-Y220 HydrophobicContact CB-CG 3.88Å; H182-Y220 PolarHBondContact ND1-N 2.85Å; Y218-Y220 HydrophobicContact CD1-CD1 4.34Å; Y218-Y220 HydrophobicContact CD1-CE1 4.05Å; Y218-Y220 AromaticContact CD2-CD1 3.9Å; Y218-Y220 HydrophobicContact CD2-CD1 3.9Å; Y218-Y220 HydrophobicContact CD2-CE1 4.41Å; Y218-Y220 AromaticContact CE1-CD1 3.85Å; Y218-Y220 HydrophobicContact CE1-CD1 3.85Å; Y218-Y220 AromaticContact CE1-CE1 3.41Å; Y218-Y220 HydrophobicContact CE1-CE1 3.41Å; Y218-Y220 VanDerWaalsContact CE1-CE1 3.41Å; Y218-Y220 AromaticContact CE2-CD1 3.34Å; Y218-Y220 HydrophobicContact CE2-CD1 3.34Å; Y218-Y220 AromaticContact CE2-CE1 3.83Å; Y218-Y220 HydrophobicContact CE2-CE1 3.83Å; Y218-Y220 HydrophobicContact CE2-CG 4.3Å; Y218-Y220 HydrophobicContact CG-CD1 4.35Å; Y218-Y220 AromaticContact CZ-CD1 3.3Å; Y218-Y220 AromaticContact CZ-CE1 3.26Å; Y218-Y220 WeakPolarHBondContact OH-CE1 3.4Å; Y220-M247 HydrophobicContact CD2-CE 3.86Å; Y220-M247 HydrophobicContact CE2-CE 3.75Å
221	A	94.1	Very high	93.7	Very high	3 Å²	3	62.8 Å²	62.8	3%	0.025	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	13.7	173.6	0	0	0	0	0	113.4	D219 S223 V224 I229 P248	D219-A221 PolarHBondContact O-N 2.86Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 PolarHBondContact OD1-N 3.19Å; A221-S223 PolarHBondContact O-N 3.16Å; A221-S223 VanDerWaalsContact O-N 3.11Å; A221-V224 HydrophobicContact CB-CB 4.45Å; A221-V224 PolarHBondContact O-N 3.18Å; A221-I229 HydrophobicContact CB-CD1 3.84Å; A221-I229 HydrophobicContact CB-CG1 4Å; A221-I229 HydrophobicContact CB-CG2 4.03Å; A221-P248 HydrophobicContact CB-CB 3.8Å; A221-P248 HydrophobicContact CB-CG 3.66Å
222	Q	94.4	Very high	93.3	Very high	67 Å²	67	58.3 Å²	58.3	31%	0.313	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39.7	-174.7	-170.3	-164.9	-69.5	0	0	112.7	T189 V190 D219 V224	T189-Q222 VanDerWaalsContact CA-OE1 3.31Å; V190-Q222 PolarHBondContact O-NE2 3.09Å; D219-Q222 HydrophobicContact CB-CB 4.09Å; D219-Q222 VanDerWaalsContact O-CB 3.23Å; D219-Q222 WeakPolarHBondContact O-CB 3.32Å; D219-Q222 PolarHBondContact O-N 3.34Å; Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.22Å
223	S	91.5	Very high	92.9	Very high	15 Å²	15	59.1 Å²	59.1	11%	0.105	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6	-177.7	69.3	0	0	0	0	113.4	V148 M149 R150 Y152 A221	V148-S223 PolarHBondContact O-OG 2.91Å; M149-S223 VanDerWaalsContact SD-CB 3.53Å; R150-S223 PolarHBondContact N-OG 3.42Å; R150-S223 WeakPolarHBondContact O-CB 3.37Å; Y152-S223 WeakPolarHBondContact CE2-O 3.31Å; A221-S223 PolarHBondContact O-N 3.16Å; A221-S223 VanDerWaalsContact O-N 3.11Å
224	V	90.8	Very high	92.6	Very high	15 Å²	15	61.3 Å²	61.3	9%	0.091	32%	0.32	C	S	.	.	S	Bend	trans	-102.1	127.5	-173.3	-176.1	0	0	0	0	109.9	A221 Q222 S226 K228 I229 V250	A221-V224 HydrophobicContact CB-CB 4.45Å; A221-V224 PolarHBondContact O-N 3.18Å; Q222-V224 VanDerWaalsContact C-N 3.27Å; Q222-V224 PolarHBondContact O-N 3.22Å; V224-S226 PolarHBondContact O-N 3.15Å; V224-K228 HydrophobicContact CG1-CB 3.94Å; V224-I229 HydrophobicContact CB-CG1 4.15Å; V224-I229 HydrophobicContact CG1-CG1 3.96Å; V224-V250 HydrophobicContact CG2-CG1 4.24Å
225	P	88.9	Confident	92.5	Very high	30 Å²	30	63.6 Å²	63.6	20%	0.195	33%	0.33	C	S	.	.			trans	-52.9	138.3	173.2	-28	35.5	0	0	0	111.6	Y152 D227 K228 I229	Y152-P225 HydrophobicContact CD1-CG 4.31Å; Y152-P225 HydrophobicContact CD2-CG 4.24Å; Y152-P225 HydrophobicContact CE1-CG 4.09Å; Y152-P225 VanDerWaalsContact CE2-CD 3.5Å; Y152-P225 HydrophobicContact CE2-CG 4.04Å; Y152-P225 HydrophobicContact CG-CG 4.38Å; P225-D227 VanDerWaalsContact CB-OD1 3.3Å; P225-D227 WeakPolarHBondContact CB-OD1 3.25Å; P225-D227 PolarHBondContact O-N 3.12Å; P225-D227 VanDerWaalsContact O-N 3.08Å; P225-K228 HydrophobicContact CB-CB 4.44Å; P225-K228 HydrophobicContact CB-CD 4.28Å; P225-K228 HydrophobicContact CB-CG 4.3Å; P225-K228 HydrophobicContact CG-CD 4.17Å; P225-K228 WeakPolarHBondContact O-CA 3.2Å; P225-K228 PolarHBondContact O-N 2.8Å; P225-I229 PolarHBondContact O-N 3.05Å
226	S	88.4	Confident	92.4	Very high	107 Å²	107	61.7 Å²	61.7	75%	0.748	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33.7	-171.9	59.1	0	0	0	0	114.6	V224 K228	V224-S226 PolarHBondContact O-N 3.15Å; S226-K228 VanDerWaalsContact C-N 3.29Å; S226-K228 PolarHBondContact O-N 2.94Å
227	D	88.6	Confident	92.3	Very high	128 Å²	128	64.8 Å²	64.8	68%	0.684	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15.2	177.5	61.6	-58.1	0	0	0	113.7	P225	P225-D227 VanDerWaalsContact CB-OD1 3.3Å; P225-D227 WeakPolarHBondContact CB-OD1 3.25Å; P225-D227 PolarHBondContact O-N 3.12Å; P225-D227 VanDerWaalsContact O-N 3.08Å
228	K	88.1	Confident	92.1	Very high	94 Å²	94	65.5 Å²	65.5	41%	0.409	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-106.3	-4.5	-178.8	-61	-175.7	-175.3	173.8	0	113.5	V224 P225 S226 R230	V224-K228 HydrophobicContact CG1-CB 3.94Å; P225-K228 HydrophobicContact CB-CB 4.44Å; P225-K228 HydrophobicContact CB-CD 4.28Å; P225-K228 HydrophobicContact CB-CG 4.3Å; P225-K228 HydrophobicContact CG-CD 4.17Å; P225-K228 WeakPolarHBondContact O-CA 3.2Å; P225-K228 PolarHBondContact O-N 2.8Å; S226-K228 VanDerWaalsContact C-N 3.29Å; S226-K228 PolarHBondContact O-N 2.94Å; K228-R230 PolarHBondContact O-N 2.94Å
229	I	90.8	Very high	91.8	Very high	42 Å²	42	72 Å²	72	22%	0.215	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.2	119.1	177.8	-60.7	179.3	0	0	0	109.1	A221 V224 P225 L231	A221-I229 HydrophobicContact CB-CD1 3.84Å; A221-I229 HydrophobicContact CB-CG1 4Å; A221-I229 HydrophobicContact CB-CG2 4.03Å; V224-I229 HydrophobicContact CB-CG1 4.15Å; V224-I229 HydrophobicContact CG1-CG1 3.96Å; P225-I229 PolarHBondContact O-N 3.05Å; I229-L231 HydrophobicContact CG2-CD2 4.12Å
230	R	91.4	Very high	91.7	Very high	201 Å²	201	71.8 Å²	71.8	76%	0.758	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	135	169.7	-62	-174.9	-179.3	-156.7	0.4	108.6	K228 G249	K228-R230 PolarHBondContact O-N 2.94Å; R230-G249 PolarHBondContact O-N 3.22Å; R230-G249 VanDerWaalsContact O-O 3.14Å
231	L	91.5	Very high	91.7	Very high	83 Å²	83	77.3 Å²	77.3	44%	0.435	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.7	176	-62.1	-179.5	0	0	0	109.6	I229 R244	I229-L231 HydrophobicContact CG2-CD2 4.12Å; L231-R244 HydrophobicContact CD2-CB 4.22Å
232	S	90.6	Very high	91.7	Very high	35 Å²	35	81.4 Å²	81.4	25%	0.245	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	178.2	169.9	73.3	0	0	0	0	110.9	T234 Y246 M247	S232-T234 VanDerWaalsContact C-N 3.28Å; S232-T234 PolarHBondContact OG-N 3.15Å; S232-Y246 WeakPolarHBondContact O-CB 3.26Å; S232-M247 WeakPolarHBondContact CB-O 3.13Å; S232-M247 PolarHBondContact N-O 2.84Å; S232-M247 PolarHBondContact OG-O 2.83Å
233	N	90.1	Very high	91.8	Very high	158 Å²	158	80 Å²	80	85%	0.845	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	0.5	171.4	-66.1	-35.1	0	0	0	113.3
234	T	90.1	Very high	92	Very high	90 Å²	90	82.3 Å²	82.3	55%	0.552	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.4	-178.2	-57.6	0	0	0	0	109.8	S232 C236 Y246 M247	S232-T234 VanDerWaalsContact C-N 3.28Å; S232-T234 PolarHBondContact OG-N 3.15Å; T234-C236 PolarHBondContact O-N 2.74Å; T234-Y246 CarbonylContact O-C 3.18Å; T234-Y246 WeakPolarHBondContact O-CA 3.37Å; T234-M247 HydrophobicContact CG2-CG 3.9Å; T234-M247 PolarHBondContact O-N 3.13Å
235	L	93.6	Very high	92.1	Very high	103 Å²	103	85.5 Å²	85.5	54%	0.539	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	135.6	176.9	-71.1	172	0	0	0	111.2	V245 Y246	L235-V245 HydrophobicContact CD2-CG1 4.36Å; L235-Y246 HydrophobicContact CD2-CD1 4.02Å; L235-Y246 HydrophobicContact CD2-CE1 3.61Å; L235-Y246 HydrophobicContact CG-CE1 4.37Å
236	C	94.7	Very high	92.4	Very high	15 Å²	15	88.7 Å²	88.7	10%	0.101	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-79.4	129.4	171.1	-176.9	0	0	0	0	109.8	T234 C238 C243 V245 M247	T234-C236 PolarHBondContact O-N 2.74Å; C236-C238 PolarHBondContact SG-SG 3.49Å; C236-C243 VanDerWaalsContact SG-SG 3.67Å; C236-V245 PolarHBondContact N-O 3.11Å; C236-M247 HydrophobicContact CB-SD 4.29Å
237	L	93.8	Very high	92.6	Very high	66 Å²	66	85.4 Å²	85.4	35%	0.346	45%	0.446	S	S	.	.			trans	-107.1	20.3	-177	-57.2	176.9	0	0	0	112.9	V100 M101 N239	V100-L237 HydrophobicContact CB-CD1 4Å; V100-L237 HydrophobicContact CG1-CD1 3.34Å; M101-L237 HydrophobicContact CG-CB 3.99Å; M101-L237 HydrophobicContact CG-CD1 3.88Å; M101-L237 HydrophobicContact SD-CB 4.18Å; L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 3.4Å
238	C	93.9	Very high	92.7	Very high	28 Å²	28	79.9 Å²	79.9	19%	0.189	42%	0.417	C	S	.	.			trans	-74.4	-12.8	-174.5	75	0	0	0	0	114.5	C236 S240	C236-C238 PolarHBondContact SG-SG 3.49Å; C238-S240 PolarHBondContact O-N 2.92Å; C238-S240 VanDerWaalsContact SG-CB 3.54Å
239	N	91.4	Very high	92.5	Very high	152 Å²	152	76.8 Å²	76.8	81%	0.813	41%	0.411	S	S	*	.			trans	54.6	20.5	-178.3	-58	-40	0	0	0	115	L237	L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 3.4Å
240	S	94.1	Very high	91.1	Very high	18 Å²	18	76.9 Å²	76.9	13%	0.126	41%	0.414	C	S	.	.			trans	-73.7	141.2	175.8	-178.8	0	0	0	0	111.5	T185 C238 S242 C243	T185-S240 WeakPolarHBondContact CB-OG 3.35Å; T185-S240 WeakPolarHBondContact CG2-OG 3.07Å; T185-S240 VanDerWaalsContact OG1-CB 3.23Å; T185-S240 WeakPolarHBondContact OG1-CB 3.37Å; T185-S240 PolarHBondContact OG1-OG 3.07Å; C238-S240 PolarHBondContact O-N 2.92Å; C238-S240 VanDerWaalsContact SG-CB 3.54Å; S240-S242 PolarHBondContact O-N 3.46Å; S240-S242 PolarHBondContact OG-N 2.83Å; S240-C243 WeakPolarHBondContact O-CB 3.42Å; S240-C243 PolarHBondContact O-N 3.33Å
241	D	94.5	Very high	91.1	Very high	173 Å²	173	70.7 Å²	70.7	93%	0.925	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.9	172.4	-64.6	-33.9	0	0	0	112.5
242	S	94.6	Very high	91	Very high	90 Å²	90	70.1 Å²	70.1	63%	0.629	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	25.2	176.9	-57.2	0	0	0	0	112.6	S240	S240-S242 PolarHBondContact O-N 3.46Å; S240-S242 PolarHBondContact OG-N 2.83Å
243	C	96.3	Very high	91.1	Very high	36 Å²	36	72 Å²	72	24%	0.243	40%	0.403	C	S	.	.			trans	-63.7	135.5	-178.9	-176.6	0	0	0	0	112.3	C236 S240 V245	C236-C243 VanDerWaalsContact SG-SG 3.67Å; S240-C243 WeakPolarHBondContact O-CB 3.42Å; S240-C243 PolarHBondContact O-N 3.33Å; C243-V245 PolarHBondContact O-N 3.14Å; C243-V245 VanDerWaalsContact O-N 3.15Å; C243-V245 PolarHBondContact SG-N 3.28Å
244	R	95	Very high	91.1	Very high	65 Å²	65	66.9 Å²	66.9	25%	0.245	38%	0.377	C	S	.	.			trans	-76.2	10.4	173.6	-65	-177.1	-64.6	-101.8	1.3	114.1	H182 C184 D219 L231 Y246	H182-R244 PolarHBondContact CE1-NH2 2.92Å; H182-R244 PolarHBondContact NE2-NH2 2.8Å; C184-R244 PolarHBondContact SG-N 2.89Å; D219-R244 VanDerWaalsContact CG-NH2 3.31Å; D219-R244 IonicContact OD1-CZ 3.81Å; D219-R244 IonicContact OD1-NH1 3.68Å; D219-R244 IonicContact OD1-NH2 3.77Å; D219-R244 PolarHBondContact OD1-NH2 3.43Å; D219-R244 IonicContact OD2-CZ 2.76Å; D219-R244 IonicContact OD2-NH1 3.42Å; D219-R244 PolarHBondContact OD2-NH1 3.47Å; D219-R244 IonicContact OD2-NH2 2.87Å; D219-R244 PolarHBondContact OD2-NH2 2.62Å; L231-R244 HydrophobicContact CD2-CB 4.22Å; R244-Y246 PolarHBondContact O-N 3Å
245	V	94.1	Very high	91.2	Very high	81 Å²	81	65.5 Å²	65.5	49%	0.491	37%	0.366	S	S	.	.	S	Bend	trans	67.7	-42.2	-178.2	-173.5	0	0	0	0	114.4	L235 C236 C243	L235-V245 HydrophobicContact CD2-CG1 4.36Å; C236-V245 PolarHBondContact N-O 3.11Å; C243-V245 PolarHBondContact O-N 3.14Å; C243-V245 VanDerWaalsContact O-N 3.15Å; C243-V245 PolarHBondContact SG-N 3.28Å
246	Y	95.1	Very high	91	Very high	98 Å²	98	63 Å²	63	38%	0.384	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	152.8	-180	-61.9	-81.2	0	0	0	111.7	S232 T234 L235 R244	S232-Y246 WeakPolarHBondContact O-CB 3.26Å; T234-Y246 CarbonylContact O-C 3.18Å; T234-Y246 WeakPolarHBondContact O-CA 3.37Å; L235-Y246 HydrophobicContact CD2-CD1 4.02Å; L235-Y246 HydrophobicContact CD2-CE1 3.61Å; L235-Y246 HydrophobicContact CG-CE1 4.37Å; R244-Y246 PolarHBondContact O-N 3Å
247	M	91.9	Very high	90.8	Very high	38 Å²	38	66.4 Å²	66.4	19%	0.187	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.2	174.1	-63.9	-73.6	-65.9	0	0	109.8	H182 Y220 S232 T234 C236 G249	H182-M247 HydrophobicContact CB-CE 3.34Å; H182-M247 HydrophobicContact CB-SD 3.79Å; H182-M247 VanDerWaalsContact CD2-SD 3.54Å; Y220-M247 HydrophobicContact CD2-CE 3.86Å; Y220-M247 HydrophobicContact CE2-CE 3.75Å; S232-M247 WeakPolarHBondContact CB-O 3.13Å; S232-M247 PolarHBondContact N-O 2.84Å; S232-M247 PolarHBondContact OG-O 2.83Å; T234-M247 HydrophobicContact CG2-CG 3.9Å; T234-M247 PolarHBondContact O-N 3.13Å; C236-M247 HydrophobicContact CB-SD 4.29Å; M247-G249 PolarHBondContact O-N 3.44Å
248	P	91.5	Very high	90.5	Very high	12 Å²	12	66.5 Å²	66.5	8%	0.078	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	134.7	166.8	-26.3	36.5	0	0	0	111.9	A221	A221-P248 HydrophobicContact CB-CB 3.8Å; A221-P248 HydrophobicContact CB-CG 3.66Å
249	G	83.1	Confident	90.3	Very high	28 Å²	28	69.7 Å²	69.7	29%	0.289	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.3	158.5	0	0	0	0	0	106.9	R230 M247	R230-G249 PolarHBondContact O-N 3.22Å; R230-G249 VanDerWaalsContact O-O 3.14Å; M247-G249 PolarHBondContact O-N 3.44Å
250	V	61.5	Low	90.1	Very high	45 Å²	45	62.2 Å²	62.2	27%	0.273	35%	0.352	S	S	.	.			trans	-92.7	0	-178.1	-88.7	0	0	0	0	112.9	R150 V224	R150-V250 PolarHBondContact NH1-OXT 2.87Å; R150-V250 PolarHBondContact NH2-OXT 2.83Å; V224-V250 HydrophobicContact CG2-CG1 4.24Å

Retrieved 250 of 250 residues in 62.8 ms (Link to these results)

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