A0A077YZT9_TRITR Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A077YZT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 729 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	44.9	Very low	56.7	Low	83 Å²	83	57.8 Å²	57.8	41%	0.409	34%	0.335	S	S	.	.				0	-21.8	0	-90.2	177.3	-98.2	0	0	114.7	L14 F222	M1-L14 HydrophobicContact CB-CD1 3.99Å; M1-L14 HydrophobicContact CG-CD1 3.8Å; M1-L14 HydrophobicContact CG-CG 4.08Å; M1-L14 HydrophobicContact SD-CD1 3.74Å; M1-L14 HydrophobicContact SD-CD2 3.46Å; M1-L14 WeakPolarHBondContact SD-CD2 3.41Å; M1-L14 HydrophobicContact SD-CG 3.36Å; M1-L14 WeakPolarHBondContact SD-CG 3.38Å; M1-F222 HydrophobicContact CE-CD1 3.79Å; M1-F222 HydrophobicContact CE-CE1 3.21Å; M1-F222 HydrophobicContact CE-CZ 4.03Å; M1-F222 HydrophobicContact SD-CE1 3.6Å; M1-F222 HydrophobicContact SD-CZ 4.14Å
2	F	46.9	Very low	59.1	Low	22 Å²	22	60 Å²	60	10%	0.096	35%	0.345	C	S	.	.			trans	-100.5	12.1	-176.1	-72.7	-63.1	0	0	0	115.3	I5 V234 F235	F2-I5 HydrophobicContact CB-CD1 3.77Å; F2-I5 HydrophobicContact CB-CG1 4.21Å; F2-I5 HydrophobicContact CD1-CD1 3.49Å; F2-I5 VanDerWaalsContact CD1-CD1 3.49Å; F2-I5 HydrophobicContact CD1-CG1 3.92Å; F2-I5 HydrophobicContact CG-CD1 4.04Å; F2-I5 WeakPolarHBondContact O-CD1 3.47Å; F2-I5 VanDerWaalsContact O-CG1 3.3Å; F2-I5 WeakPolarHBondContact O-CG1 3.25Å; F2-V234 WeakPolarHBondContact CZ-O 3.46Å; F2-F235 HydrophobicContact CE2-CD1 4.33Å; F2-F235 HydrophobicContact CZ-CD1 4.34Å
3	N	39.1	Very low	61.6	Low	147 Å²	147	57.6 Å²	57.6	79%	0.786	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	127.6	168.2	-72.7	-15.2	0	0	0	108.2
4	G	45.4	Very low	63.5	Low	49 Å²	49	56 Å²	56	51%	0.505	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	13	-179.5	0	0	0	0	0	115.8	E6 S7	G4-E6 PolarHBondContact O-N 3.16Å; G4-E6 VanDerWaalsContact O-N 3.1Å; G4-S7 PolarHBondContact O-N 3.32Å; G4-S7 VanDerWaalsContact O-N 3.14Å; G4-S7 PolarHBondContact O-OG 3.42Å; G4-S7 VanDerWaalsContact O-OG 3.05Å
5	I	49.9	Very low	65.3	Low	11 Å²	11	56.5 Å²	56.5	6%	0.056	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-50.8	-35.4	175.9	-69.5	171.3	0	0	0	112.6	F2 S7 C8 I187 F188 F245	F2-I5 HydrophobicContact CB-CD1 3.77Å; F2-I5 HydrophobicContact CB-CG1 4.21Å; F2-I5 HydrophobicContact CD1-CD1 3.49Å; F2-I5 VanDerWaalsContact CD1-CD1 3.49Å; F2-I5 HydrophobicContact CD1-CG1 3.92Å; F2-I5 HydrophobicContact CG-CD1 4.04Å; F2-I5 WeakPolarHBondContact O-CD1 3.47Å; F2-I5 VanDerWaalsContact O-CG1 3.3Å; F2-I5 WeakPolarHBondContact O-CG1 3.25Å; I5-S7 PolarHBondContact O-N 3.42Å; I5-S7 VanDerWaalsContact O-N 3.15Å; I5-C8 PolarHBondContact O-N 3.38Å; I5-C8 PolarHBondContact O-SG 3.24Å; I5-I187 HydrophobicContact CB-CD1 3.62Å; I5-I187 HydrophobicContact CD1-CD1 4.35Å; I5-I187 HydrophobicContact CG2-CB 4.06Å; I5-I187 HydrophobicContact CG2-CD1 3.49Å; I5-I187 VanDerWaalsContact CG2-CD1 3.49Å; I5-I187 HydrophobicContact CG2-CG1 4.37Å; I5-I187 HydrophobicContact CG2-CG2 3.72Å; I5-F188 HydrophobicContact CG2-CD2 4.2Å; I5-F188 HydrophobicContact CG2-CE2 3.23Å; I5-F188 HydrophobicContact CG2-CZ 3.83Å; I5-F245 HydrophobicContact CD1-CE1 4.34Å; I5-F245 HydrophobicContact CD1-CZ 4.26Å
6	E	48.7	Very low	66.8	Low	87 Å²	87	54.6 Å²	54.6	41%	0.407	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56	-34.4	-176.7	-62.2	177.6	-160.5	0	0	112.3	G4 K157 I187	G4-E6 PolarHBondContact O-N 3.16Å; G4-E6 VanDerWaalsContact O-N 3.1Å; E6-K157 PolarHBondContact O-NZ 2.82Å; E6-K157 VanDerWaalsContact O-NZ 3.12Å; E6-I187 HydrophobicContact CG-CD1 3.71Å; E6-I187 HydrophobicContact CG-CG1 4.17Å
7	S	54.4	Low	68.1	Low	105 Å²	105	56.3 Å²	56.3	73%	0.734	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.4	-2	-176.9	57.9	0	0	0	0	115.1	G4 I5	G4-S7 PolarHBondContact O-N 3.32Å; G4-S7 VanDerWaalsContact O-N 3.14Å; G4-S7 PolarHBondContact O-OG 3.42Å; G4-S7 VanDerWaalsContact O-OG 3.05Å; I5-S7 PolarHBondContact O-N 3.42Å; I5-S7 VanDerWaalsContact O-N 3.15Å
8	C	64.4	Low	69.1	Low	21 Å²	21	55.4 Å²	55.4	14%	0.142	31%	0.311	C	S	.	.			trans	-74.5	136.2	-175.9	69.6	0	0	0	0	112.3	I5 D12 Y66 R232	I5-C8 PolarHBondContact O-N 3.38Å; I5-C8 PolarHBondContact O-SG 3.24Å; C8-D12 VanDerWaalsContact CA-OD2 3.25Å; C8-D12 WeakPolarHBondContact CA-OD2 3.36Å; C8-Y66 PolarHBondContact O-OH 3.15Å; C8-R232 PolarHBondContact SG-NH2 2.9Å
9	H	75.2	Confident	69.6	Low	74 Å²	74	60.3 Å²	60.3	34%	0.343	34%	0.342	S	S	.	.			trans	-75.7	152.9	171	-171.5	-93.1	0	0	0	110.4	D11 D12	H9-D11 IonicContact CE1-OD2 3.54Å; H9-D11 PolarHBondContact CE1-OD2 2.88Å; H9-D11 VanDerWaalsContact CE1-OD2 3.32Å; H9-D11 PolarHBondContact ND1-N 2.97Å; H9-D11 IonicContact ND1-OD2 3.57Å; H9-D11 PolarHBondContact O-N 2.83Å; H9-D11 VanDerWaalsContact O-N 3.12Å; H9-D12 WeakPolarHBondContact CB-OD1 3.48Å; H9-D12 PolarHBondContact N-OD2 3.46Å; H9-D12 PolarHBondContact O-N 3.26Å
10	P	74.4	Confident	69.9	Low	9 Å²	9	59.9 Å²	59.9	6%	0.058	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-35.2	176.8	-29.7	34.8	0	0	0	115.4	S64 T65 Y66 D68 L71	P10-S64 WeakPolarHBondContact O-CA 3.43Å; P10-T65 PolarHBondContact O-N 3.04Å; P10-T65 VanDerWaalsContact O-N 3.08Å; P10-T65 PolarHBondContact O-OG1 3.03Å; P10-Y66 HydrophobicContact CB-CD1 4.23Å; P10-Y66 HydrophobicContact CB-CE1 4.04Å; P10-Y66 HydrophobicContact CB-CE2 4.45Å; P10-Y66 VanDerWaalsContact CD-OH 3.28Å; P10-Y66 WeakPolarHBondContact CD-OH 3.44Å; P10-Y66 HydrophobicContact CG-CD1 4.43Å; P10-Y66 HydrophobicContact CG-CD2 4.25Å; P10-Y66 HydrophobicContact CG-CE1 3.95Å; P10-Y66 HydrophobicContact CG-CE2 3.68Å; P10-D68 HydrophobicContact CG-CB 4.28Å; P10-L71 HydrophobicContact CG-CD1 3.86Å
11	D	80.2	Confident	70	Confident	28 Å²	28	62.6 Å²	62.6	15%	0.15	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15	-173.2	-44.5	-33.2	0	0	0	113.7	H9 K61 C62 S64	H9-D11 IonicContact CE1-OD2 3.54Å; H9-D11 PolarHBondContact CE1-OD2 2.88Å; H9-D11 VanDerWaalsContact CE1-OD2 3.32Å; H9-D11 PolarHBondContact ND1-N 2.97Å; H9-D11 IonicContact ND1-OD2 3.57Å; H9-D11 PolarHBondContact O-N 2.83Å; H9-D11 VanDerWaalsContact O-N 3.12Å; D11-K61 HydrophobicContact CB-CB 3.84Å; D11-K61 HydrophobicContact CB-CD 4.28Å; D11-C62 WeakPolarHBondContact O-CA 3.48Å; D11-C62 WeakPolarHBondContact O-CB 3.46Å; D11-C62 PolarHBondContact O-N 3.15Å; D11-S64 WeakPolarHBondContact OD1-CA 3.23Å; D11-S64 VanDerWaalsContact OD1-CB 3.27Å; D11-S64 WeakPolarHBondContact OD1-CB 3.49Å; D11-S64 PolarHBondContact OD1-OG 2.95Å
12	D	85.9	Confident	71.7	Confident	84 Å²	84	60.6 Å²	60.6	45%	0.449	37%	0.371	S	S	.	.			trans	-65.8	143.4	176.4	-78.8	-15.6	0	0	0	111.5	C8 H9 C62	C8-D12 VanDerWaalsContact CA-OD2 3.25Å; C8-D12 WeakPolarHBondContact CA-OD2 3.36Å; H9-D12 WeakPolarHBondContact CB-OD1 3.48Å; H9-D12 PolarHBondContact N-OD2 3.46Å; H9-D12 PolarHBondContact O-N 3.26Å; D12-C62 WeakPolarHBondContact O-CB 3.48Å
13	H	91	Very high	73.5	Confident	29 Å²	29	62.9 Å²	62.9	13%	0.134	38%	0.382	C	S	.	.			trans	-80.3	146.8	177	-71.1	-83.5	0	0	0	111.7	W15 C40 C43 L60 C62	H13-W15 HydrophobicContact CB-CD2 3.93Å; H13-W15 HydrophobicContact CB-CE3 4.49Å; H13-W15 HydrophobicContact CB-CG 4.48Å; H13-W15 HydrophobicContact CB-CH2 3.94Å; H13-W15 HydrophobicContact CB-CZ2 3.26Å; H13-W15 AromaticContact CD2-CZ2 3.62Å; H13-W15 AromaticContact CG-CE2 3.96Å; H13-W15 AromaticContact CG-CH2 3.81Å; H13-W15 AromaticContact CG-CZ2 3.39Å; H13-C40 HydrophobicContact CB-CB 4.17Å; H13-C40 PolarHBondContact ND1-SG 3.12Å; H13-C40 VanDerWaalsContact ND1-SG 3.38Å; H13-C43 VanDerWaalsContact CE1-SG 3.59Å; H13-C43 PolarHBondContact ND1-SG 3.46Å; H13-C43 VanDerWaalsContact ND1-SG 3.43Å; H13-L60 PolarHBondContact NE2-O 3.11Å; H13-C62 HydrophobicContact CB-CB 4.46Å; H13-C62 PolarHBondContact ND1-SG 3.29Å; H13-C62 PolarHBondContact NE2-N 3.02Å
14	L	88.5	Confident	75.9	Confident	35 Å²	35	56.2 Å²	56.2	18%	0.183	35%	0.347	C	S	.	.			trans	-101	87	176.6	-161.6	71.5	0	0	0	109.8	M1 C40 C41 A42 C226 P231	M1-L14 HydrophobicContact CB-CD1 3.99Å; M1-L14 HydrophobicContact CG-CD1 3.8Å; M1-L14 HydrophobicContact CG-CG 4.08Å; M1-L14 HydrophobicContact SD-CD1 3.74Å; M1-L14 HydrophobicContact SD-CD2 3.46Å; M1-L14 WeakPolarHBondContact SD-CD2 3.41Å; M1-L14 HydrophobicContact SD-CG 3.36Å; M1-L14 WeakPolarHBondContact SD-CG 3.38Å; L14-C40 PolarHBondContact N-SG 3.33Å; L14-C40 CarbonylContact O-C 3.52Å; L14-C40 VanDerWaalsContact O-CA 3.26Å; L14-C40 WeakPolarHBondContact O-CA 3.47Å; L14-C41 HydrophobicContact CD2-CB 4.19Å; L14-C41 PolarHBondContact O-N 2.9Å; L14-A42 HydrophobicContact CB-CB 4.44Å; L14-C226 HydrophobicContact CD2-CB 4.44Å; L14-P231 HydrophobicContact CD2-CB 4.33Å
15	W	90.8	Very high	78.1	Confident	63 Å²	63	55 Å²	55	24%	0.239	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.2	-171	-60.9	115.4	0	0	0	113.7	H13 L38 C40 L45 A47 L52 L55	H13-W15 HydrophobicContact CB-CD2 3.93Å; H13-W15 HydrophobicContact CB-CE3 4.49Å; H13-W15 HydrophobicContact CB-CG 4.48Å; H13-W15 HydrophobicContact CB-CH2 3.94Å; H13-W15 HydrophobicContact CB-CZ2 3.26Å; H13-W15 AromaticContact CD2-CZ2 3.62Å; H13-W15 AromaticContact CG-CE2 3.96Å; H13-W15 AromaticContact CG-CH2 3.81Å; H13-W15 AromaticContact CG-CZ2 3.39Å; W15-L38 HydrophobicContact CB-CB 4.25Å; W15-L38 HydrophobicContact CB-CD1 4.23Å; W15-L38 HydrophobicContact CD2-CB 4.03Å; W15-L38 HydrophobicContact CD2-CD1 4.36Å; W15-L38 HydrophobicContact CE3-CB 3.55Å; W15-L38 HydrophobicContact CG-CB 4.33Å; W15-L38 HydrophobicContact CG-CD1 4.15Å; W15-L38 HydrophobicContact CZ3-CB 4.24Å; W15-C40 HydrophobicContact CE3-CB 4.02Å; W15-C40 HydrophobicContact CH2-CB 4.32Å; W15-C40 HydrophobicContact CZ3-CB 3.81Å; W15-L45 HydrophobicContact CH2-CD2 3.72Å; W15-L45 HydrophobicContact CZ3-CD2 4.35Å; W15-A47 HydrophobicContact CH2-CB 3.97Å; W15-A47 HydrophobicContact CZ3-CB 4.32Å; W15-L52 HydrophobicContact CD2-CD2 4.06Å; W15-L52 HydrophobicContact CH2-CD2 4.04Å; W15-L52 HydrophobicContact CZ2-CD2 3.33Å; W15-L55 HydrophobicContact CH2-CD1 3.72Å; W15-L55 HydrophobicContact CZ2-CD1 3.45Å; W15-L55 VanDerWaalsContact CZ2-CD1 3.45Å
16	D	88.7	Confident	80	Confident	27 Å²	27	54.5 Å²	54.5	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.6	162.1	-171.3	32.4	0	0	0	110.5	L38 K39 K219 E223	D16-L38 CarbonylContact O-C 3.51Å; D16-L38 VanDerWaalsContact O-CA 3.32Å; D16-L38 WeakPolarHBondContact O-CA 3.08Å; D16-K39 PolarHBondContact N-O 2.73Å; D16-K39 PolarHBondContact O-N 2.85Å; D16-K219 IonicContact OD1-NZ 3.08Å; D16-K219 PolarHBondContact OD1-NZ 3.25Å; D16-K219 WeakPolarHBondContact OD2-CE 3.45Å; D16-K219 IonicContact OD2-NZ 2.74Å; D16-K219 PolarHBondContact OD2-NZ 2.67Å; D16-E223 VanDerWaalsContact OD2-OE1 3.09Å
17	T	89	Confident	81.7	Confident	83 Å²	83	51.5 Å²	51.5	51%	0.509	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.2	-179.4	-51.9	0	0	0	0	110.2
18	V	86.9	Confident	83	Confident	41 Å²	41	53 Å²	53	25%	0.248	31%	0.313	C	S	.	.			trans	-123.5	146.1	178.1	-67.5	0	0	0	0	111.5	K37 K39	V18-K37 HydrophobicContact CG2-CB 4.17Å; V18-K37 PolarHBondContact N-O 2.99Å; V18-K39 HydrophobicContact CB-CB 4.32Å; V18-K39 HydrophobicContact CG1-CB 3.47Å; V18-K39 VanDerWaalsContact CG1-CB 3.47Å; V18-K39 HydrophobicContact CG1-CD 4.12Å; V18-K39 HydrophobicContact CG1-CG 4.44Å; V18-K39 HydrophobicContact CG2-CB 3.87Å
19	T	79	Confident	84	Confident	147 Å²	147	61.8 Å²	61.8	90%	0.902	35%	0.348	S	S	*	.			trans	-101.3	136.9	170.4	52.9	0	0	0	0	109.4
20	G	74	Confident	84.6	Confident	53 Å²	53	62 Å²	62	55%	0.546	35%	0.352	S	S	.	.	S	Bend	trans	144	177.3	173.8	0	0	0	0	0	116.3	A22 K37	G20-A22 VanDerWaalsContact C-N 3.26Å; G20-A22 PolarHBondContact O-N 3.49Å; G20-K37 PolarHBondContact O-NZ 2.95Å
21	S	72.3	Confident	85.4	Confident	116 Å²	116	62.8 Å²	62.8	81%	0.811	36%	0.358	S	S	*	.	S	Bend	trans	-82.7	7.2	-178.1	55.7	0	0	0	0	114.2
22	A	80.7	Confident	85.9	Confident	42 Å²	42	68.2 Å²	68.2	35%	0.347	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.6	140.7	-178	0	0	0	0	0	112.3	G20 K37 I46	G20-A22 VanDerWaalsContact C-N 3.26Å; G20-A22 PolarHBondContact O-N 3.49Å; A22-K37 PolarHBondContact O-NZ 3.06Å; A22-I46 HydrophobicContact CB-CD1 3.4Å; A22-I46 VanDerWaalsContact CB-CD1 3.4Å
23	E	85	Confident	86	Confident	70 Å²	70	68.5 Å²	68.5	33%	0.327	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-81.5	146.1	-171.6	-72.3	-72.3	-173.4	0	0	112.7	W90 K110	E23-W90 HydrophobicContact CB-CD2 4.34Å; E23-W90 HydrophobicContact CB-CZ2 4.35Å; E23-K110 WeakPolarHBondContact OE1-CE 3.16Å; E23-K110 IonicContact OE1-NZ 2.97Å; E23-K110 PolarHBondContact OE1-NZ 2.79Å
24	C	90.1	Very high	85.9	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.047	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-78.6	127.9	177.2	-178.1	0	0	0	0	110.9	V26 G27	C24-V26 PolarHBondContact O-N 2.96Å; C24-G27 PolarHBondContact O-N 3.19Å
25	Y	91.7	Very high	86	Confident	22 Å²	22	70.2 Å²	70.2	9%	0.086	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.2	-176.1	-80.8	-125.2	0	0	0	113.8	G27 L45 I46 L60 V87 H88 W90 M112	Y25-G27 PolarHBondContact O-N 2.93Å; Y25-L45 HydrophobicContact CD1-CD1 3.91Å; Y25-L45 HydrophobicContact CD1-CG 3.74Å; Y25-L45 HydrophobicContact CD2-CG 4.34Å; Y25-L45 HydrophobicContact CE1-CG 4.38Å; Y25-L45 HydrophobicContact CG-CD1 4.21Å; Y25-L45 HydrophobicContact CG-CD2 4.36Å; Y25-L45 HydrophobicContact CG-CG 3.7Å; Y25-I46 HydrophobicContact CD2-CB 4.05Å; Y25-I46 WeakPolarHBondContact CD2-O 3.34Å; Y25-I46 HydrophobicContact CE2-CB 4.13Å; Y25-I46 HydrophobicContact CE2-CG1 4.47Å; Y25-I46 PolarHBondContact N-O 2.87Å; Y25-L60 WeakPolarHBondContact O-CD1 3.5Å; Y25-V87 HydrophobicContact CE1-CG1 3.9Å; Y25-H88 WeakPolarHBondContact CE1-O 3.5Å; Y25-W90 AromaticContact CD2-NE1 3.92Å; Y25-W90 AromaticContact CE2-CD1 3.76Å; Y25-W90 AromaticContact CE2-NE1 3.86Å; Y25-W90 AromaticContact CZ-CD1 4Å; Y25-M112 HydrophobicContact CD1-CE 4.25Å
26	V	89.1	Confident	86	Confident	2 Å²	2	70 Å²	70	1%	0.012	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.7	171.9	171.4	0	0	0	0	111.6	C24 D30 C51 V54 L55 K58	C24-V26 PolarHBondContact O-N 2.96Å; V26-D30 VanDerWaalsContact CG1-C 3.46Å; V26-D30 HydrophobicContact CG1-CB 3.43Å; V26-D30 VanDerWaalsContact CG1-CB 3.43Å; V26-D30 WeakPolarHBondContact CG1-O 3.34Å; V26-C51 HydrophobicContact CG2-CB 3.92Å; V26-V54 HydrophobicContact CG1-CB 4.26Å; V26-V54 HydrophobicContact CG1-CG1 3.74Å; V26-V54 HydrophobicContact CG2-CB 4.36Å; V26-V54 HydrophobicContact CG2-CG1 4.47Å; V26-L55 HydrophobicContact CG2-CD2 3.55Å; V26-L55 HydrophobicContact CG2-CG 4.33Å; V26-K58 PolarHBondContact O-NZ 3.36Å
27	G	84.7	Confident	86.1	Confident	24 Å²	24	71.4 Å²	71.4	25%	0.247	43%	0.427	C	S	.	.			trans	81.5	156.6	-178	0	0	0	0	0	112.4	C24 Y25 K29 D30 C31	C24-G27 PolarHBondContact O-N 3.19Å; Y25-G27 PolarHBondContact O-N 2.93Å; G27-K29 VanDerWaalsContact C-N 3.3Å; G27-K29 PolarHBondContact O-N 2.89Å; G27-D30 PolarHBondContact O-N 2.73Å; G27-C31 WeakPolarHBondContact O-CB 3.48Å; G27-C31 PolarHBondContact O-N 2.99Å
28	E	80.8	Confident	86.3	Confident	137 Å²	137	68.3 Å²	68.3	64%	0.64	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.9	-167.8	-63.6	-174.5	153.5	0	0	113.9	D30 K110	E28-D30 PolarHBondContact O-N 3.42Å; E28-K110 WeakPolarHBondContact OE1-CD 3.17Å; E28-K110 WeakPolarHBondContact OE1-CE 3.08Å; E28-K110 IonicContact OE1-NZ 2.74Å; E28-K110 PolarHBondContact OE1-NZ 3.17Å
29	K	85.1	Confident	86.6	Confident	205 Å²	205	69.4 Å²	69.4	89%	0.891	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.9	-176.7	-66.8	-173.5	177.5	-175.5	0	114.1	G27	G27-K29 VanDerWaalsContact C-N 3.3Å; G27-K29 PolarHBondContact O-N 2.89Å
30	D	89.1	Confident	87.3	Confident	78 Å²	78	62.4 Å²	62.4	42%	0.417	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-2.5	-174.2	-63.2	-75.2	0	0	0	112.5	V26 G27 E28 R32 V54 K58	V26-D30 VanDerWaalsContact CG1-C 3.46Å; V26-D30 HydrophobicContact CG1-CB 3.43Å; V26-D30 VanDerWaalsContact CG1-CB 3.43Å; V26-D30 WeakPolarHBondContact CG1-O 3.34Å; G27-D30 PolarHBondContact O-N 2.73Å; E28-D30 PolarHBondContact O-N 3.42Å; D30-R32 PolarHBondContact O-N 2.8Å; D30-V54 HydrophobicContact CB-CG1 4.21Å; D30-K58 WeakPolarHBondContact OD2-CE 3.2Å; D30-K58 IonicContact OD2-NZ 2.6Å; D30-K58 PolarHBondContact OD2-NZ 2.61Å
31	C	90.6	Very high	88.2	Confident	26 Å²	26	60.1 Å²	60.1	18%	0.176	34%	0.341	C	S	.	.			trans	-73.1	118.7	179.8	-179.1	0	0	0	0	110.2	G27 S33 H48	G27-C31 WeakPolarHBondContact O-CB 3.48Å; G27-C31 PolarHBondContact O-N 2.99Å; C31-S33 VanDerWaalsContact C-N 3.3Å; C31-S33 PolarHBondContact SG-N 3.27Å; C31-S33 PolarHBondContact SG-OG 2.85Å; C31-H48 PolarHBondContact SG-CE1 3.44Å; C31-H48 PolarHBondContact SG-ND1 3.13Å
32	R	90.7	Very high	89.2	Confident	142 Å²	142	54.7 Å²	54.7	54%	0.536	30%	0.303	S	S	.	.			trans	-80.2	-10.1	176.9	-59.9	-177.9	-174.8	168.8	-13.4	114	D30 A34 A50 C51	D30-R32 PolarHBondContact O-N 2.8Å; R32-A34 WeakPolarHBondContact O-CB 3.47Å; R32-A34 PolarHBondContact O-N 2.78Å; R32-A50 HydrophobicContact CB-CB 4.07Å; R32-A50 WeakPolarHBondContact CD-O 3.46Å; R32-A50 PolarHBondContact NH1-O 2.77Å; R32-C51 PolarHBondContact N-SG 3.17Å
33	S	87.5	Confident	89.8	Confident	89 Å²	89	52.7 Å²	52.7	62%	0.622	29%	0.287	S	S	*	.			trans	46.9	33.1	176.6	-57.4	0	0	0	0	115	C31	C31-S33 VanDerWaalsContact C-N 3.3Å; C31-S33 PolarHBondContact SG-N 3.27Å; C31-S33 PolarHBondContact SG-OG 2.85Å
34	A	90	Very high	90.2	Very high	46 Å²	46	51.2 Å²	51.2	38%	0.38	28%	0.28	S	S	.	.			trans	-128.9	143.5	-173.6	0	0	0	0	0	111.8	R32 H48 A50	R32-A34 WeakPolarHBondContact O-CB 3.47Å; R32-A34 PolarHBondContact O-N 2.78Å; A34-H48 WeakPolarHBondContact O-CB 3.39Å; A34-A50 HydrophobicContact CB-CB 3.83Å; A34-A50 WeakPolarHBondContact O-CB 3.35Å; A34-A50 PolarHBondContact O-N 3.04Å; A34-A50 VanDerWaalsContact O-N 3.16Å
35	G	89.3	Confident	90.3	Very high	55 Å²	55	51 Å²	51	57%	0.567	28%	0.279	S	S	*	.	S	Bend	trans	81.4	-176.8	-175.3	0	0	0	0	0	113.4
36	S	90.9	Very high	90.4	Very high	59 Å²	59	51 Å²	51	41%	0.413	28%	0.279	S	S	.	.			trans	-67.6	149.2	-178.3	-65.1	0	0	0	0	111.6	E49	S36-E49 PolarHBondContact O-N 2.96Å
37	K	92	Very high	90.6	Very high	55 Å²	55	50.9 Å²	50.9	24%	0.239	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.3	168.5	-75.2	-172.7	-176.8	-175.6	0	109.9	V18 G20 A22 H48	V18-K37 HydrophobicContact CG2-CB 4.17Å; V18-K37 PolarHBondContact N-O 2.99Å; G20-K37 PolarHBondContact O-NZ 2.95Å; A22-K37 PolarHBondContact O-NZ 3.06Å; K37-H48 WeakPolarHBondContact CE-NE2 3.49Å
38	L	93.4	Very high	91	Very high	18 Å²	18	50.7 Å²	50.7	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.5	-178.2	-54.7	175.6	0	0	0	109.1	W15 D16 I46 A47 E49 L52	W15-L38 HydrophobicContact CB-CB 4.25Å; W15-L38 HydrophobicContact CB-CD1 4.23Å; W15-L38 HydrophobicContact CD2-CB 4.03Å; W15-L38 HydrophobicContact CD2-CD1 4.36Å; W15-L38 HydrophobicContact CE3-CB 3.55Å; W15-L38 HydrophobicContact CG-CB 4.33Å; W15-L38 HydrophobicContact CG-CD1 4.15Å; W15-L38 HydrophobicContact CZ3-CB 4.24Å; D16-L38 CarbonylContact O-C 3.51Å; D16-L38 VanDerWaalsContact O-CA 3.32Å; D16-L38 WeakPolarHBondContact O-CA 3.08Å; L38-I46 CarbonylContact O-C 3.48Å; L38-I46 VanDerWaalsContact O-CA 3.27Å; L38-I46 WeakPolarHBondContact O-CA 3.25Å; L38-A47 WeakPolarHBondContact CB-O 3.37Å; L38-A47 PolarHBondContact N-O 3.5Å; L38-A47 PolarHBondContact O-N 3.42Å; L38-E49 HydrophobicContact CD1-CB 4.24Å; L38-L52 HydrophobicContact CD1-CD1 3.83Å; L38-L52 HydrophobicContact CD1-CD2 4.2Å; L38-L52 HydrophobicContact CD1-CG 4.29Å
39	K	93.2	Very high	91.6	Very high	64 Å²	64	49.3 Å²	49.3	28%	0.278	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	171.1	-177.3	-178.5	173.6	-167.2	0	108.6	D16 V18 C41 H44 L45 I46	D16-K39 PolarHBondContact N-O 2.73Å; D16-K39 PolarHBondContact O-N 2.85Å; V18-K39 HydrophobicContact CB-CB 4.32Å; V18-K39 HydrophobicContact CG1-CB 3.47Å; V18-K39 VanDerWaalsContact CG1-CB 3.47Å; V18-K39 HydrophobicContact CG1-CD 4.12Å; V18-K39 HydrophobicContact CG1-CG 4.44Å; V18-K39 HydrophobicContact CG2-CB 3.87Å; K39-C41 PolarHBondContact O-N 3.39Å; K39-H44 VanDerWaalsContact CE-CD2 3.42Å; K39-H44 WeakPolarHBondContact CE-CD2 3.45Å; K39-L45 CarbonylContact C-O 3.58Å; K39-L45 WeakPolarHBondContact CA-O 3.25Å; K39-I46 HydrophobicContact CB-CG1 4.05Å; K39-I46 HydrophobicContact CG-CD1 4.46Å; K39-I46 HydrophobicContact CG-CG1 3.93Å
40	C	93.8	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.1	174.5	179.1	0	0	0	0	110	H13 L14 W15 A42 H44 L45 C62	H13-C40 HydrophobicContact CB-CB 4.17Å; H13-C40 PolarHBondContact ND1-SG 3.12Å; H13-C40 VanDerWaalsContact ND1-SG 3.38Å; L14-C40 PolarHBondContact N-SG 3.33Å; L14-C40 CarbonylContact O-C 3.52Å; L14-C40 VanDerWaalsContact O-CA 3.26Å; L14-C40 WeakPolarHBondContact O-CA 3.47Å; W15-C40 HydrophobicContact CE3-CB 4.02Å; W15-C40 HydrophobicContact CH2-CB 4.32Å; W15-C40 HydrophobicContact CZ3-CB 3.81Å; C40-A42 PolarHBondContact O-N 2.93Å; C40-H44 WeakPolarHBondContact O-CA 3.45Å; C40-H44 PolarHBondContact O-CD2 3.02Å; C40-H44 PolarHBondContact O-N 3.09Å; C40-L45 HydrophobicContact CB-CB 4.5Å; C40-L45 PolarHBondContact N-O 3.25Å; C40-C62 PolarHBondContact SG-SG 3.23Å
41	C	92.2	Very high	92.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.034	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.8	177.7	-53.4	0	0	0	0	112.4	L14 K39 C226 W227	L14-C41 HydrophobicContact CD2-CB 4.19Å; L14-C41 PolarHBondContact O-N 2.9Å; K39-C41 PolarHBondContact O-N 3.39Å; C41-C226 HydrophobicContact CB-CB 3.86Å; C41-C226 CarbonylContact O-C 3.54Å; C41-W227 VanDerWaalsContact O-CA 3.32Å; C41-W227 WeakPolarHBondContact O-CA 3.49Å; C41-W227 WeakPolarHBondContact O-CB 3.29Å; C41-W227 PolarHBondContact O-N 3.18Å; C41-W227 VanDerWaalsContact O-N 3.15Å
42	A	93.4	Very high	92.3	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.017	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-39.1	-173.9	0	0	0	0	0	113.7	L14 C40 K63 P231	L14-A42 HydrophobicContact CB-CB 4.44Å; C40-A42 PolarHBondContact O-N 2.93Å; A42-K63 HydrophobicContact CB-CG 4.36Å; A42-K63 WeakPolarHBondContact O-CD 3.22Å; A42-K63 WeakPolarHBondContact O-CE 3.37Å; A42-K63 PolarHBondContact O-NZ 3.49Å; A42-K63 VanDerWaalsContact O-NZ 3.11Å; A42-P231 HydrophobicContact CB-CG 3.63Å
43	C	93.9	Very high	92.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-3.6	-176.7	72.2	0	0	0	0	114.5	H13 L45 V87 R89	H13-C43 VanDerWaalsContact CE1-SG 3.59Å; H13-C43 PolarHBondContact ND1-SG 3.46Å; H13-C43 VanDerWaalsContact ND1-SG 3.43Å; C43-L45 PolarHBondContact O-N 3.27Å; C43-L45 WeakPolarHBondContact SG-CB 3.44Å; C43-V87 HydrophobicContact CB-CG2 4.44Å; C43-R89 PolarHBondContact O-NH2 3Å
44	H	92.5	Very high	92.4	Very high	39 Å²	39	31.7 Å²	31.7	18%	0.181	19%	0.191	C	C	.	.			trans	60.4	19.2	-176.8	-63.2	172.2	0	0	0	115.3	K39 C40 W227	K39-H44 VanDerWaalsContact CE-CD2 3.42Å; K39-H44 WeakPolarHBondContact CE-CD2 3.45Å; C40-H44 WeakPolarHBondContact O-CA 3.45Å; C40-H44 PolarHBondContact O-CD2 3.02Å; C40-H44 PolarHBondContact O-N 3.09Å; H44-W227 AromaticContact CE1-CD1 3.65Å; H44-W227 AromaticContact CE1-CD2 3.39Å; H44-W227 AromaticContact CE1-CE2 3.81Å; H44-W227 AromaticContact CE1-CE3 3.91Å; H44-W227 AromaticContact CE1-CG 3.29Å; H44-W227 AromaticContact CE1-NE1 3.92Å; H44-W227 AromaticContact CG-CE3 3.88Å; H44-W227 AromaticContact ND1-CD2 3.6Å; H44-W227 AromaticContact ND1-CE2 3.86Å; H44-W227 AromaticContact ND1-CE3 3.76Å; H44-W227 WeakPolarHBondContact NE2-CB 3.43Å; H44-W227 AromaticContact NE2-CD2 3.87Å; H44-W227 AromaticContact NE2-CG 3.57Å
45	L	92.8	Very high	92.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	18%	0.175	C	C	.	.			trans	-66.6	142.9	169	-169.3	143.5	0	0	0	109.8	W15 Y25 K39 C40 C43 A47 L55 L60	W15-L45 HydrophobicContact CH2-CD2 3.72Å; W15-L45 HydrophobicContact CZ3-CD2 4.35Å; Y25-L45 HydrophobicContact CD1-CD1 3.91Å; Y25-L45 HydrophobicContact CD1-CG 3.74Å; Y25-L45 HydrophobicContact CD2-CG 4.34Å; Y25-L45 HydrophobicContact CE1-CG 4.38Å; Y25-L45 HydrophobicContact CG-CD1 4.21Å; Y25-L45 HydrophobicContact CG-CD2 4.36Å; Y25-L45 HydrophobicContact CG-CG 3.7Å; K39-L45 CarbonylContact C-O 3.58Å; K39-L45 WeakPolarHBondContact CA-O 3.25Å; C40-L45 HydrophobicContact CB-CB 4.5Å; C40-L45 PolarHBondContact N-O 3.25Å; C43-L45 PolarHBondContact O-N 3.27Å; C43-L45 WeakPolarHBondContact SG-CB 3.44Å; L45-A47 HydrophobicContact CD2-CB 4.26Å; L45-L55 HydrophobicContact CD2-CD1 4.25Å; L45-L55 HydrophobicContact CD2-CD2 3.9Å; L45-L60 HydrophobicContact CD1-CB 4.1Å; L45-L60 HydrophobicContact CD1-CD2 4.27Å
46	I	92.7	Very high	92.4	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	-179.3	-63.5	173.4	0	0	0	110	A22 Y25 L38 K39	A22-I46 HydrophobicContact CB-CD1 3.4Å; A22-I46 VanDerWaalsContact CB-CD1 3.4Å; Y25-I46 HydrophobicContact CD2-CB 4.05Å; Y25-I46 WeakPolarHBondContact CD2-O 3.34Å; Y25-I46 HydrophobicContact CE2-CB 4.13Å; Y25-I46 HydrophobicContact CE2-CG1 4.47Å; Y25-I46 PolarHBondContact N-O 2.87Å; L38-I46 CarbonylContact O-C 3.48Å; L38-I46 VanDerWaalsContact O-CA 3.27Å; L38-I46 WeakPolarHBondContact O-CA 3.25Å; K39-I46 HydrophobicContact CB-CG1 4.05Å; K39-I46 HydrophobicContact CG-CD1 4.46Å; K39-I46 HydrophobicContact CG-CG1 3.93Å
47	A	93.5	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.6	178.4	0	0	0	0	0	111.3	W15 L38 L45 L52 L55	W15-A47 HydrophobicContact CH2-CB 3.97Å; W15-A47 HydrophobicContact CZ3-CB 4.32Å; L38-A47 WeakPolarHBondContact CB-O 3.37Å; L38-A47 PolarHBondContact N-O 3.5Å; L38-A47 PolarHBondContact O-N 3.42Å; L45-A47 HydrophobicContact CD2-CB 4.26Å; A47-L52 HydrophobicContact CB-CD2 4.19Å; A47-L55 HydrophobicContact CB-CD1 4.02Å; A47-L55 HydrophobicContact CB-CD2 4.28Å
48	H	93.5	Very high	92.1	Very high	21 Å²	21	38.5 Å²	38.5	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	150.1	165.2	-56.2	103.6	0	0	0	109.8	C31 A34 K37 A50 C51 L52	C31-H48 PolarHBondContact SG-CE1 3.44Å; C31-H48 PolarHBondContact SG-ND1 3.13Å; A34-H48 WeakPolarHBondContact O-CB 3.39Å; K37-H48 WeakPolarHBondContact CE-NE2 3.49Å; H48-A50 VanDerWaalsContact C-N 3.27Å; H48-A50 PolarHBondContact O-N 3.43Å; H48-C51 HydrophobicContact CB-CB 4.23Å; H48-C51 WeakPolarHBondContact O-CA 3.44Å; H48-C51 VanDerWaalsContact O-CB 3.27Å; H48-C51 WeakPolarHBondContact O-CB 3.46Å; H48-C51 PolarHBondContact O-N 3.29Å; H48-L52 PolarHBondContact O-N 3.05Å
49	E	92.8	Very high	91.9	Very high	107 Å²	107	43.3 Å²	43.3	50%	0.5	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-52.4	-43.5	175.9	-172.1	174.4	-172.5	0	0	112.5	S36 L38 C51 L52	S36-E49 PolarHBondContact O-N 2.96Å; L38-E49 HydrophobicContact CD1-CB 4.24Å; E49-C51 PolarHBondContact O-N 3.27Å; E49-L52 WeakPolarHBondContact O-CG 3.47Å; E49-L52 PolarHBondContact O-N 2.87Å
50	A	93.3	Very high	91.9	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67	-18.4	176.5	0	0	0	0	0	113.9	R32 A34 H48	R32-A50 HydrophobicContact CB-CB 4.07Å; R32-A50 WeakPolarHBondContact CD-O 3.46Å; R32-A50 PolarHBondContact NH1-O 2.77Å; A34-A50 HydrophobicContact CB-CB 3.83Å; A34-A50 WeakPolarHBondContact O-CB 3.35Å; A34-A50 PolarHBondContact O-N 3.04Å; A34-A50 VanDerWaalsContact O-N 3.16Å; H48-A50 VanDerWaalsContact C-N 3.27Å; H48-A50 PolarHBondContact O-N 3.43Å
51	C	94.4	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-89.9	-11.3	-178.6	-64.6	0	0	0	0	113.2	V26 R32 H48 E49 P53 V54	V26-C51 HydrophobicContact CG2-CB 3.92Å; R32-C51 PolarHBondContact N-SG 3.17Å; H48-C51 HydrophobicContact CB-CB 4.23Å; H48-C51 WeakPolarHBondContact O-CA 3.44Å; H48-C51 VanDerWaalsContact O-CB 3.27Å; H48-C51 WeakPolarHBondContact O-CB 3.46Å; H48-C51 PolarHBondContact O-N 3.29Å; E49-C51 PolarHBondContact O-N 3.27Å; C51-P53 VanDerWaalsContact C-CD 3.43Å; C51-P53 VanDerWaalsContact C-N 3.33Å; C51-V54 WeakPolarHBondContact O-CB 3.3Å; C51-V54 PolarHBondContact O-N 3.23Å
52	L	91.8	Very high	91.8	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.257	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-52.8	-41.6	-179.8	-62.3	-178.2	0	0	0	113.7	W15 L38 A47 H48 E49 V54 L55 P56	W15-L52 HydrophobicContact CD2-CD2 4.06Å; W15-L52 HydrophobicContact CH2-CD2 4.04Å; W15-L52 HydrophobicContact CZ2-CD2 3.33Å; L38-L52 HydrophobicContact CD1-CD1 3.83Å; L38-L52 HydrophobicContact CD1-CD2 4.2Å; L38-L52 HydrophobicContact CD1-CG 4.29Å; A47-L52 HydrophobicContact CB-CD2 4.19Å; H48-L52 PolarHBondContact O-N 3.05Å; E49-L52 WeakPolarHBondContact O-CG 3.47Å; E49-L52 PolarHBondContact O-N 2.87Å; L52-V54 PolarHBondContact O-N 3.06Å; L52-L55 HydrophobicContact CD2-CD1 3.92Å; L52-L55 PolarHBondContact O-N 3Å; L52-P56 WeakPolarHBondContact O-CD 3.26Å
53	P	90.5	Very high	91.7	Very high	77 Å²	77	46.7 Å²	46.7	50%	0.5	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.7	178.1	-21.2	35	0	0	0	114.8	C51	C51-P53 VanDerWaalsContact C-CD 3.43Å; C51-P53 VanDerWaalsContact C-N 3.33Å
54	V	91.4	Very high	91.5	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.085	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-86.7	-28.3	179.7	-174.4	0	0	0	0	111.3	V26 D30 C51 L52 K57 K58	V26-V54 HydrophobicContact CG1-CB 4.26Å; V26-V54 HydrophobicContact CG1-CG1 3.74Å; V26-V54 HydrophobicContact CG2-CB 4.36Å; V26-V54 HydrophobicContact CG2-CG1 4.47Å; D30-V54 HydrophobicContact CB-CG1 4.21Å; C51-V54 WeakPolarHBondContact O-CB 3.3Å; C51-V54 PolarHBondContact O-N 3.23Å; L52-V54 PolarHBondContact O-N 3.06Å; V54-K57 WeakPolarHBondContact O-CB 3.48Å; V54-K57 PolarHBondContact O-N 3.37Å; V54-K57 VanDerWaalsContact O-N 3.12Å; V54-K58 HydrophobicContact CG1-CG 4.48Å; V54-K58 PolarHBondContact O-N 3.31Å
55	L	90.7	Very high	91.4	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-47.1	-175.6	-61.3	172.7	0	0	0	113.4	W15 V26 L45 A47 L52 K57 K58 N59 L60	W15-L55 HydrophobicContact CH2-CD1 3.72Å; W15-L55 HydrophobicContact CZ2-CD1 3.45Å; W15-L55 VanDerWaalsContact CZ2-CD1 3.45Å; V26-L55 HydrophobicContact CG2-CD2 3.55Å; V26-L55 HydrophobicContact CG2-CG 4.33Å; L45-L55 HydrophobicContact CD2-CD1 4.25Å; L45-L55 HydrophobicContact CD2-CD2 3.9Å; A47-L55 HydrophobicContact CB-CD1 4.02Å; A47-L55 HydrophobicContact CB-CD2 4.28Å; L52-L55 HydrophobicContact CD2-CD1 3.92Å; L52-L55 PolarHBondContact O-N 3Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.97Å; L55-K58 CarbonylContact O-C 3.56Å; L55-K58 PolarHBondContact O-N 3.4Å; L55-N59 PolarHBondContact O-N 2.83Å; L55-L60 HydrophobicContact CB-CB 4.16Å; L55-L60 HydrophobicContact CD2-CB 3.9Å; L55-L60 HydrophobicContact CD2-CD1 3.76Å; L55-L60 PolarHBondContact O-N 3.08Å
56	P	87.5	Confident	91.1	Very high	86 Å²	86	47.9 Å²	47.9	56%	0.558	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.1	-36.8	178.9	-22.2	35.1	0	0	0	112.8	L52 K58 N59	L52-P56 WeakPolarHBondContact O-CD 3.26Å; P56-K58 PolarHBondContact O-N 3.23Å; P56-N59 PolarHBondContact O-N 2.82Å
57	K	88.8	Confident	90.5	Very high	179 Å²	179	48.4 Å²	48.4	78%	0.778	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.1	-28.6	178.9	-59.4	-176.2	178.8	-172.5	0	112.5	V54 L55	V54-K57 WeakPolarHBondContact O-CB 3.48Å; V54-K57 PolarHBondContact O-N 3.37Å; V54-K57 VanDerWaalsContact O-N 3.12Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 2.97Å
58	K	89.1	Confident	89.6	Confident	87 Å²	87	49.9 Å²	49.9	38%	0.378	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-95.1	10	175.6	-73.9	-162.3	163.8	-173.7	0	114.1	V26 D30 V54 L55 P56 L60	V26-K58 PolarHBondContact O-NZ 3.36Å; D30-K58 WeakPolarHBondContact OD2-CE 3.2Å; D30-K58 IonicContact OD2-NZ 2.6Å; D30-K58 PolarHBondContact OD2-NZ 2.61Å; V54-K58 HydrophobicContact CG1-CG 4.48Å; V54-K58 PolarHBondContact O-N 3.31Å; L55-K58 CarbonylContact O-C 3.56Å; L55-K58 PolarHBondContact O-N 3.4Å; P56-K58 PolarHBondContact O-N 3.23Å; K58-L60 HydrophobicContact CB-CD1 4.08Å; K58-L60 HydrophobicContact CB-CG 4.02Å; K58-L60 PolarHBondContact O-N 3.25Å; K58-L60 VanDerWaalsContact O-N 3.15Å
59	N	88.9	Confident	88.1	Confident	120 Å²	120	49.8 Å²	49.8	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	27.9	-174.5	-160.7	33.4	0	0	0	113.7	L55 P56 K61	L55-N59 PolarHBondContact O-N 2.83Å; P56-N59 PolarHBondContact O-N 2.82Å; N59-K61 PolarHBondContact O-N 3.4Å; N59-K61 WeakPolarHBondContact OD1-CE 3.34Å
60	L	91.9	Very high	86.5	Confident	45 Å²	45	50 Å²	50	24%	0.236	27%	0.265	C	S	.	.			trans	-86.3	59.4	175.6	-66.8	174.8	0	0	0	110	H13 Y25 L45 L55 K58	H13-L60 PolarHBondContact NE2-O 3.11Å; Y25-L60 WeakPolarHBondContact O-CD1 3.5Å; L45-L60 HydrophobicContact CD1-CB 4.1Å; L45-L60 HydrophobicContact CD1-CD2 4.27Å; L55-L60 HydrophobicContact CB-CB 4.16Å; L55-L60 HydrophobicContact CD2-CB 3.9Å; L55-L60 HydrophobicContact CD2-CD1 3.76Å; L55-L60 PolarHBondContact O-N 3.08Å; K58-L60 HydrophobicContact CB-CD1 4.08Å; K58-L60 HydrophobicContact CB-CG 4.02Å; K58-L60 PolarHBondContact O-N 3.25Å; K58-L60 VanDerWaalsContact O-N 3.15Å
61	K	91.7	Very high	85	Confident	93 Å²	93	52.5 Å²	52.5	40%	0.404	27%	0.273	S	S	.	.			trans	-79.7	166.9	178.8	-57.2	-175.1	-176.1	-179.8	0	110.9	D11 N59 H85	D11-K61 HydrophobicContact CB-CB 3.84Å; D11-K61 HydrophobicContact CB-CD 4.28Å; N59-K61 PolarHBondContact O-N 3.4Å; N59-K61 WeakPolarHBondContact OD1-CE 3.34Å; K61-H85 PolarHBondContact O-NE2 3.48Å; K61-H85 VanDerWaalsContact O-NE2 3.14Å
62	C	92.9	Very high	83	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	31%	0.308	C	S	.	.			trans	-88.9	175.5	174.3	-150.6	0	0	0	0	111.8	D11 D12 H13 C40 S64 H85	D11-C62 WeakPolarHBondContact O-CA 3.48Å; D11-C62 WeakPolarHBondContact O-CB 3.46Å; D11-C62 PolarHBondContact O-N 3.15Å; D12-C62 WeakPolarHBondContact O-CB 3.48Å; H13-C62 HydrophobicContact CB-CB 4.46Å; H13-C62 PolarHBondContact ND1-SG 3.29Å; H13-C62 PolarHBondContact NE2-N 3.02Å; C40-C62 PolarHBondContact SG-SG 3.23Å; C62-S64 PolarHBondContact O-N 2.94Å; C62-H85 VanDerWaalsContact C-NE2 3.27Å
63	K	91.4	Very high	80.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.			trans	-65.9	126.8	171.2	65.3	-175.5	-174.2	-178.9	0	109.6	A42 T65 H85 W119 C226 W227 V229	A42-K63 HydrophobicContact CB-CG 4.36Å; A42-K63 WeakPolarHBondContact O-CD 3.22Å; A42-K63 WeakPolarHBondContact O-CE 3.37Å; A42-K63 PolarHBondContact O-NZ 3.49Å; A42-K63 VanDerWaalsContact O-NZ 3.11Å; K63-T65 WeakPolarHBondContact O-CG2 3.3Å; K63-T65 PolarHBondContact O-N 2.88Å; K63-H85 HydrophobicContact CB-CB 3.86Å; K63-H85 PolarHBondContact N-CE1 2.83Å; K63-H85 PolarHBondContact N-NE2 2.86Å; K63-W119 HydrophobicContact CB-CZ2 3.83Å; K63-W119 HydrophobicContact CD-CD2 4.12Å; K63-W119 HydrophobicContact CD-CE3 4.23Å; K63-W119 HydrophobicContact CD-CH2 3.81Å; K63-W119 HydrophobicContact CD-CZ2 3.66Å; K63-W119 HydrophobicContact CD-CZ3 4.09Å; K63-W119 HydrophobicContact CG-CH2 4.23Å; K63-W119 HydrophobicContact CG-CZ2 3.76Å; K63-C226 PolarHBondContact NZ-O 2.96Å; K63-W227 PolarHBondContact NZ-O 3.44Å; K63-W227 VanDerWaalsContact NZ-O 3.07Å; K63-V229 PolarHBondContact NZ-O 2.8Å
64	S	89.6	Confident	78.8	Confident	52 Å²	52	64.3 Å²	64.3	36%	0.364	34%	0.335	S	S	.	.			trans	-60	123.2	178.4	-45.5	0	0	0	0	110.6	P10 D11 C62 W119 A152	P10-S64 WeakPolarHBondContact O-CA 3.43Å; D11-S64 WeakPolarHBondContact OD1-CA 3.23Å; D11-S64 VanDerWaalsContact OD1-CB 3.27Å; D11-S64 WeakPolarHBondContact OD1-CB 3.49Å; D11-S64 PolarHBondContact OD1-OG 2.95Å; C62-S64 PolarHBondContact O-N 2.94Å; S64-W119 WeakPolarHBondContact O-CZ2 3.46Å; S64-A152 VanDerWaalsContact O-CB 3.31Å; S64-A152 WeakPolarHBondContact O-CB 3.34Å
65	T	89.6	Confident	76.9	Confident	12 Å²	12	72.4 Å²	72.4	7%	0.074	37%	0.369	C	S	.	.			trans	-98.6	-14.9	-174.5	57	0	0	0	0	114.1	P10 K63 N230 P231 R232	P10-T65 PolarHBondContact O-N 3.04Å; P10-T65 VanDerWaalsContact O-N 3.08Å; P10-T65 PolarHBondContact O-OG1 3.03Å; K63-T65 WeakPolarHBondContact O-CG2 3.3Å; K63-T65 PolarHBondContact O-N 2.88Å; T65-N230 PolarHBondContact O-ND2 2.81Å; T65-N230 PolarHBondContact O-OD1 2.86Å; T65-P231 HydrophobicContact CG2-CB 4.46Å; T65-P231 HydrophobicContact CG2-CG 4.01Å; T65-R232 PolarHBondContact OG1-NE 3.48Å
66	Y	87.1	Confident	75.1	Confident	5 Å²	5	75.9 Å²	75.9	2%	0.02	39%	0.386	C	S	.	.	S	Bend	trans	-151.4	158.6	-180	69.2	-87.4	0	0	0	110.6	C8 P10 D68 A152 I155 K157 F188 R232	C8-Y66 PolarHBondContact O-OH 3.15Å; P10-Y66 HydrophobicContact CB-CD1 4.23Å; P10-Y66 HydrophobicContact CB-CE1 4.04Å; P10-Y66 HydrophobicContact CB-CE2 4.45Å; P10-Y66 VanDerWaalsContact CD-OH 3.28Å; P10-Y66 WeakPolarHBondContact CD-OH 3.44Å; P10-Y66 HydrophobicContact CG-CD1 4.43Å; P10-Y66 HydrophobicContact CG-CD2 4.25Å; P10-Y66 HydrophobicContact CG-CE1 3.95Å; P10-Y66 HydrophobicContact CG-CE2 3.68Å; Y66-D68 HydrophobicContact CE2-CB 4.01Å; Y66-A152 CarbonylContact C-O 3.51Å; Y66-A152 WeakPolarHBondContact CA-O 3.21Å; Y66-I155 CarbonylContact C-O 3.29Å; Y66-I155 WeakPolarHBondContact CA-O 3.36Å; Y66-I155 WeakPolarHBondContact CB-O 3.22Å; Y66-K157 HydrophobicContact CD2-CB 3.97Å; Y66-K157 HydrophobicContact CE2-CB 3.75Å; Y66-K157 HydrophobicContact CE2-CD 3.8Å; Y66-K157 HydrophobicContact CE2-CG 4.29Å; Y66-F188 AromaticContact CD1-CE1 3.93Å; Y66-F188 HydrophobicContact CD1-CE1 3.93Å; Y66-F188 HydrophobicContact CD1-CZ 4.24Å; Y66-F188 HydrophobicContact CD2-CD1 4.33Å; Y66-F188 AromaticContact CD2-CE1 3.68Å; Y66-F188 HydrophobicContact CD2-CE1 3.68Å; Y66-F188 HydrophobicContact CE1-CE1 4.08Å; Y66-F188 HydrophobicContact CE1-CZ 4.18Å; Y66-F188 AromaticContact CE2-CE1 3.9Å; Y66-F188 HydrophobicContact CE2-CE1 3.9Å; Y66-F188 HydrophobicContact CG-CD1 4.35Å; Y66-F188 AromaticContact CG-CE1 3.69Å; Y66-F188 HydrophobicContact CG-CE1 3.69Å; Y66-F188 HydrophobicContact CG-CZ 4.44Å; Y66-R232 VanDerWaalsContact CD1-NE 3.27Å; Y66-R232 VanDerWaalsContact CD1-NH2 3.29Å
67	A	79.3	Confident	73.5	Confident	30 Å²	30	77.2 Å²	77.2	25%	0.248	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-86.8	131.5	167.6	0	0	0	0	0	109.9	P69 A152 I155 K157	A67-P69 WeakPolarHBondContact O-CD 3.39Å; A67-A152 PolarHBondContact N-O 3.12Å; A67-I155 PolarHBondContact N-O 2.9Å; A67-K157 PolarHBondContact O-N 2.85Å
68	D	74.8	Confident	71.9	Confident	31 Å²	31	73.5 Å²	73.5	17%	0.166	38%	0.381	C	S	.	.			trans	-106	97.5	163.8	-165.6	-26.6	0	0	0	107.7	P10 Y66 W70 L71	P10-D68 HydrophobicContact CG-CB 4.28Å; Y66-D68 HydrophobicContact CE2-CB 4.01Å; D68-W70 PolarHBondContact O-N 3.12Å; D68-W70 PolarHBondContact OD1-N 3.29Å; D68-L71 HydrophobicContact CB-CB 4.19Å; D68-L71 HydrophobicContact CB-CD1 3.65Å; D68-L71 HydrophobicContact CB-CG 3.92Å; D68-L71 PolarHBondContact O-N 2.81Å; D68-L71 PolarHBondContact OD1-N 3.41Å
69	P	62.2	Low	70.7	Confident	20 Å²	20	74 Å²	74	13%	0.13	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.8	178.2	-25.8	34.7	0	0	0	113	A67 K74 M76	A67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-K74 VanDerWaalsContact O-O 3.07Å; P69-M76 HydrophobicContact CB-CG 3.88Å; P69-M76 HydrophobicContact CG-CG 3.71Å
70	W	60.6	Low	69.8	Low	110 Å²	110	70.4 Å²	70.4	42%	0.417	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-17.5	-169.2	-58.5	93.1	0	0	0	114.1	D68 F72 G73 Y163	D68-W70 PolarHBondContact O-N 3.12Å; D68-W70 PolarHBondContact OD1-N 3.29Å; W70-F72 PolarHBondContact O-N 3.26Å; W70-F72 VanDerWaalsContact O-N 3.12Å; W70-G73 PolarHBondContact O-N 3.42Å; W70-Y163 HydrophobicContact CH2-CD2 4.3Å; W70-Y163 AromaticContact CH2-CE2 3.62Å; W70-Y163 HydrophobicContact CH2-CE2 3.62Å; W70-Y163 HydrophobicContact CZ3-CD2 4.39Å; W70-Y163 AromaticContact CZ3-CE2 3.81Å; W70-Y163 HydrophobicContact CZ3-CE2 3.81Å
71	L	59.9	Low	69.1	Low	84 Å²	84	72.8 Å²	72.8	44%	0.44	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.4	169.5	-87.7	169.1	0	0	0	112.4	P10 D68	P10-L71 HydrophobicContact CG-CD1 3.86Å; D68-L71 HydrophobicContact CB-CB 4.19Å; D68-L71 HydrophobicContact CB-CD1 3.65Å; D68-L71 HydrophobicContact CB-CG 3.92Å; D68-L71 PolarHBondContact O-N 2.81Å; D68-L71 PolarHBondContact OD1-N 3.41Å
72	F	52.8	Low	68.8	Low	167 Å²	167	69.6 Å²	69.6	73%	0.732	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	11.5	-178.1	-60.3	-73.2	0	0	0	114.3	W70 K74	W70-F72 PolarHBondContact O-N 3.26Å; W70-F72 VanDerWaalsContact O-N 3.12Å; F72-K74 PolarHBondContact O-N 2.95Å; F72-K74 VanDerWaalsContact O-N 3.11Å
73	G	48.3	Very low	68.6	Low	69 Å²	69	77.5 Å²	77.5	71%	0.711	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	19.5	175.1	0	0	0	0	0	115.5	W70	W70-G73 PolarHBondContact O-N 3.42Å
74	K	46.8	Very low	68.8	Low	138 Å²	138	79 Å²	79	60%	0.6	42%	0.417	S	S	*	.	S	Bend	trans	-124.8	157.1	-172.8	-75.6	-179.5	-179	-179.1	0	112	P69 F72	P69-K74 VanDerWaalsContact O-O 3.07Å; F72-K74 PolarHBondContact O-N 2.95Å; F72-K74 VanDerWaalsContact O-N 3.11Å
75	K	52	Low	69	Low	185 Å²	185	78 Å²	78	80%	0.804	41%	0.406	S	S	*	.	S	Bend	trans	-49.6	147.5	160.3	-70.4	-179.7	177.3	-179.6	0	108.8	I77	K75-I77 PolarHBondContact O-N 2.92Å; K75-I77 VanDerWaalsContact O-N 3.1Å
76	M	51.7	Low	69.3	Low	77 Å²	77	79.5 Å²	79.5	38%	0.379	41%	0.41	S	S	.	.			trans	-41.7	122.3	171.8	-69	-170.9	63.2	0	0	109.4	P69 P78 N156	P69-M76 HydrophobicContact CB-CG 3.88Å; P69-M76 HydrophobicContact CG-CG 3.71Å; M76-P78 WeakPolarHBondContact O-CD 3.25Å; M76-N156 WeakPolarHBondContact CE-OD1 3.25Å
77	I	53.9	Low	69.6	Low	115 Å²	115	79.7 Å²	79.7	59%	0.59	41%	0.412	S	S	*	.			trans	-81.9	107.1	170	-57.6	175.1	0	0	0	105.5	K75	K75-I77 PolarHBondContact O-N 2.92Å; K75-I77 VanDerWaalsContact O-N 3.1Å
78	P	55.2	Low	70.2	Confident	100 Å²	100	82.2 Å²	82.2	65%	0.649	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	141.6	172.5	-13.2	30.9	0	0	0	108.1	M76 A80	M76-P78 WeakPolarHBondContact O-CD 3.25Å; P78-A80 PolarHBondContact O-N 3.12Å
79	N	63.2	Low	71	Confident	98 Å²	98	81.4 Å²	81.4	52%	0.524	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	30.6	168.8	-52.4	-13.9	0	0	0	116.6	P81	N79-P81 WeakPolarHBondContact O-CD 3.35Å
80	A	70.8	Confident	72.3	Confident	45 Å²	45	83 Å²	83	37%	0.372	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-59.9	122.3	167.6	0	0	0	0	0	110.2	P78	P78-A80 PolarHBondContact O-N 3.12Å
81	P	77.4	Confident	73.6	Confident	95 Å²	95	82.2 Å²	82.2	62%	0.617	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.1	141.4	-178.2	26.2	-33.4	0	0	0	110.8	N79 R83 P139	N79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-R83 PolarHBondContact O-N 3.12Å; P81-P139 HydrophobicContact CB-CB 3.94Å
82	M	86.2	Confident	75.1	Confident	26 Å²	26	80.6 Å²	80.6	13%	0.128	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-64.6	128.9	173	-75.9	-66.8	-65.9	0	0	109.5	W119 P139 C140 L142 P151 A152	M82-W119 HydrophobicContact CE-CD2 4.34Å; M82-W119 HydrophobicContact CE-CZ2 4.07Å; M82-P139 CarbonylContact O-C 3.56Å; M82-P139 WeakPolarHBondContact O-CA 3.32Å; M82-C140 PolarHBondContact O-N 3.01Å; M82-L142 HydrophobicContact CB-CD2 4.4Å; M82-L142 HydrophobicContact CE-CD2 4.45Å; M82-L142 HydrophobicContact CG-CD2 4.5Å; M82-P151 HydrophobicContact CG-CB 3.76Å; M82-P151 HydrophobicContact CG-CG 4.46Å; M82-P151 HydrophobicContact SD-CB 3.86Å; M82-A152 HydrophobicContact CE-CB 4.15Å; M82-A152 HydrophobicContact SD-CB 3.88Å; M82-A152 PolarHBondContact SD-N 2.79Å
83	R	88.6	Confident	76.9	Confident	169 Å²	169	81 Å²	81	64%	0.638	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-90.8	153.8	173.5	-68.6	-174.2	173.9	-139.7	-1.2	111.2	P81	P81-R83 PolarHBondContact O-N 3.12Å
84	H	94.3	Very high	79	Confident	32 Å²	32	80.3 Å²	80.3	15%	0.148	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-62.3	142.8	169.1	-71	-89.8	0	0	0	110.7	W86 C117 C120 Q138 P139 C140	H84-W86 HydrophobicContact CB-CD2 4.04Å; H84-W86 HydrophobicContact CB-CG 4.27Å; H84-W86 HydrophobicContact CB-CZ2 3.69Å; H84-W86 VanDerWaalsContact CB-NE1 3.28Å; H84-W86 AromaticContact CD2-CZ2 3.85Å; H84-W86 AromaticContact CE1-CZ2 3.9Å; H84-W86 AromaticContact CG-CE2 3.69Å; H84-W86 AromaticContact CG-CZ2 3.41Å; H84-W86 VanDerWaalsContact CG-CZ2 3.41Å; H84-W86 AromaticContact CG-NE1 3.9Å; H84-W86 AromaticContact ND1-CH2 3.7Å; H84-W86 AromaticContact ND1-CZ2 3.43Å; H84-W86 WeakPolarHBondContact ND1-CZ2 3.29Å; H84-C117 PolarHBondContact ND1-SG 3.41Å; H84-C120 PolarHBondContact CE1-SG 3.1Å; H84-C120 PolarHBondContact ND1-SG 3.02Å; H84-Q138 PolarHBondContact CD2-O 3.16Å; H84-P139 PolarHBondContact NE2-O 3.48Å; H84-C140 HydrophobicContact CB-CB 4.4Å; H84-C140 WeakPolarHBondContact NE2-CA 3.35Å
85	H	94.4	Very high	81.3	Confident	31 Å²	31	81.3 Å²	81.3	14%	0.144	42%	0.416	C	S	.	.			trans	-106.7	87.1	167.9	178.2	-110.6	0	0	0	108.9	K61 C62 K63 V87 C117 S118	K61-H85 PolarHBondContact O-NE2 3.48Å; K61-H85 VanDerWaalsContact O-NE2 3.14Å; C62-H85 VanDerWaalsContact C-NE2 3.27Å; K63-H85 HydrophobicContact CB-CB 3.86Å; K63-H85 PolarHBondContact N-CE1 2.83Å; K63-H85 PolarHBondContact N-NE2 2.86Å; H85-V87 WeakPolarHBondContact CE1-CG2 3.36Å; H85-C117 CarbonylContact O-C 3.58Å; H85-C117 WeakPolarHBondContact O-CA 3.49Å; H85-S118 WeakPolarHBondContact ND1-CB 3.43Å; H85-S118 PolarHBondContact ND1-OG 3.11Å; H85-S118 PolarHBondContact O-N 3.39Å; H85-S118 PolarHBondContact O-OG 2.98Å
86	W	95.1	Very high	83.4	Confident	42 Å²	42	72.6 Å²	72.6	16%	0.159	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.7	-177.9	-63.5	117.1	0	0	0	111.3	H84 I115 C117 A122 Y124 F131 L135	H84-W86 HydrophobicContact CB-CD2 4.04Å; H84-W86 HydrophobicContact CB-CG 4.27Å; H84-W86 HydrophobicContact CB-CZ2 3.69Å; H84-W86 VanDerWaalsContact CB-NE1 3.28Å; H84-W86 AromaticContact CD2-CZ2 3.85Å; H84-W86 AromaticContact CE1-CZ2 3.9Å; H84-W86 AromaticContact CG-CE2 3.69Å; H84-W86 AromaticContact CG-CZ2 3.41Å; H84-W86 VanDerWaalsContact CG-CZ2 3.41Å; H84-W86 AromaticContact CG-NE1 3.9Å; H84-W86 AromaticContact ND1-CH2 3.7Å; H84-W86 AromaticContact ND1-CZ2 3.43Å; H84-W86 WeakPolarHBondContact ND1-CZ2 3.29Å; W86-I115 HydrophobicContact CB-CG2 3.98Å; W86-I115 HydrophobicContact CD2-CG2 4.29Å; W86-I115 HydrophobicContact CE3-CG2 3.88Å; W86-I115 HydrophobicContact CG-CG2 4.36Å; W86-C117 HydrophobicContact CD2-CB 4.41Å; W86-C117 HydrophobicContact CE3-CB 3.76Å; W86-C117 HydrophobicContact CH2-CB 3.97Å; W86-C117 HydrophobicContact CZ3-CB 3.53Å; W86-A122 HydrophobicContact CH2-CB 4.43Å; W86-Y124 HydrophobicContact CH2-CD2 4.21Å; W86-Y124 AromaticContact CH2-CE2 3.74Å; W86-Y124 HydrophobicContact CH2-CE2 3.74Å; W86-Y124 HydrophobicContact CZ3-CD2 4.05Å; W86-Y124 HydrophobicContact CZ3-CE2 4.01Å; W86-F131 AromaticContact CD2-CE2 3.86Å; W86-F131 HydrophobicContact CD2-CE2 3.86Å; W86-F131 HydrophobicContact CD2-CZ 4.08Å; W86-F131 AromaticContact CE2-CE2 3.97Å; W86-F131 AromaticContact CE3-CE2 3.94Å; W86-F131 HydrophobicContact CE3-CE2 3.94Å; W86-F131 HydrophobicContact CG-CE2 4.41Å; W86-F131 HydrophobicContact CG-CZ 4.17Å; W86-F131 HydrophobicContact CH2-CE2 4.34Å; W86-F131 HydrophobicContact CZ2-CE2 4.23Å; W86-F131 HydrophobicContact CZ3-CE2 4.17Å; W86-L135 HydrophobicContact CZ2-CB 4.06Å; W86-L135 PolarHBondContact NE1-O 2.95Å; W86-L135 VanDerWaalsContact NE1-O 3.13Å
87	V	94	Very high	85.5	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.3	177.7	-178	0	0	0	0	108.7	Y25 C43 H85 T116 S118	Y25-V87 HydrophobicContact CE1-CG1 3.9Å; C43-V87 HydrophobicContact CB-CG2 4.44Å; H85-V87 WeakPolarHBondContact CE1-CG2 3.36Å; V87-T116 PolarHBondContact N-O 3.46Å; V87-T116 PolarHBondContact O-N 2.91Å; V87-S118 WeakPolarHBondContact CG2-OG 3.36Å
88	H	92.8	Very high	87.5	Confident	84 Å²	84	76.2 Å²	76.2	39%	0.389	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135	172	-66.5	-99.5	0	0	0	110.4	Y25 M112 A114	Y25-H88 WeakPolarHBondContact CE1-O 3.5Å; H88-M112 HydrophobicContact CB-CB 4.16Å; H88-M112 HydrophobicContact CB-CE 4.18Å; H88-M112 HydrophobicContact CB-CG 4.13Å; H88-M112 HydrophobicContact CB-SD 3.28Å; H88-M112 WeakPolarHBondContact CB-SD 3.49Å; H88-A114 CarbonylContact C-O 3.5Å; H88-A114 WeakPolarHBondContact CA-O 3.42Å
89	R	91.6	Very high	89.4	Confident	13 Å²	13	74 Å²	74	5%	0.049	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.1	-173.5	-60.4	-171.4	173.8	-70.6	-8.3	112.5	C43 T91 M112 I113 A114 W227	C43-R89 PolarHBondContact O-NH2 3Å; R89-T91 WeakPolarHBondContact CB-O 3.33Å; R89-M112 CarbonylContact O-C 3.42Å; R89-M112 WeakPolarHBondContact O-CA 3.46Å; R89-I113 PolarHBondContact O-N 2.93Å; R89-A114 HydrophobicContact CB-CB 4.4Å; R89-A114 PolarHBondContact N-O 3.38Å; R89-A114 PolarHBondContact O-N 3.05Å; R89-W227 VanDerWaalsContact NH2-CH2 3.27Å
90	W	88.5	Confident	90.9	Very high	54 Å²	54	71.5 Å²	71.5	21%	0.205	38%	0.376	C	S	.	.	S	Bend	trans	-73.2	-35.5	173.4	-55.9	97.5	0	0	0	112.9	E23 Y25 K110 M112 I113	E23-W90 HydrophobicContact CB-CD2 4.34Å; E23-W90 HydrophobicContact CB-CZ2 4.35Å; Y25-W90 AromaticContact CD2-NE1 3.92Å; Y25-W90 AromaticContact CE2-CD1 3.76Å; Y25-W90 AromaticContact CE2-NE1 3.86Å; Y25-W90 AromaticContact CZ-CD1 4Å; W90-K110 HydrophobicContact CH2-CB 4.5Å; W90-K110 HydrophobicContact CZ3-CB 3.86Å; W90-K110 WeakPolarHBondContact CZ3-O 3.28Å; W90-M112 HydrophobicContact CD2-CG 4.13Å; W90-M112 HydrophobicContact CE3-CG 4.29Å; W90-M112 HydrophobicContact CZ2-CE 4Å; W90-M112 HydrophobicContact CZ2-CG 4.38Å; W90-M112 HydrophobicContact CZ3-CG 4.48Å; W90-I113 VanDerWaalsContact O-CD1 3.31Å; W90-I113 WeakPolarHBondContact O-CD1 3.4Å; W90-I113 WeakPolarHBondContact O-CG1 3.46Å
91	T	88.3	Confident	92.1	Very high	94 Å²	94	76.5 Å²	76.5	58%	0.577	39%	0.389	S	S	*	.			trans	-134.4	144.2	179	56.6	0	0	0	0	108.9	R89 T105	R89-T91 WeakPolarHBondContact CB-O 3.33Å; T91-T105 HydrophobicContact CG2-CG2 4.49Å
92	Q	90.9	Very high	92.9	Very high	50 Å²	50	75.3 Å²	75.3	23%	0.234	38%	0.383	C	S	.	.			trans	-151.5	133.3	177.5	-177.8	54.7	40.2	0	0	109.3	F103 A114 T116	Q92-F103 HydrophobicContact CB-CB 4.3Å; Q92-F103 HydrophobicContact CB-CD1 4.19Å; Q92-F103 HydrophobicContact CB-CD2 3.89Å; Q92-F103 HydrophobicContact CB-CE2 4.28Å; Q92-F103 HydrophobicContact CB-CG 3.85Å; Q92-F103 HydrophobicContact CG-CD1 4.39Å; Q92-F103 HydrophobicContact CG-CD2 3.64Å; Q92-F103 HydrophobicContact CG-CE1 4.31Å; Q92-F103 HydrophobicContact CG-CE2 3.57Å; Q92-F103 HydrophobicContact CG-CG 4.08Å; Q92-F103 HydrophobicContact CG-CZ 3.93Å; Q92-F103 WeakPolarHBondContact O-CB 3.27Å; Q92-A114 HydrophobicContact CB-CB 3.59Å; Q92-A114 HydrophobicContact CG-CB 4.02Å; Q92-T116 PolarHBondContact OE1-OG1 3.49Å
93	E	90.4	Very high	93.2	Very high	176 Å²	176	74.8 Å²	74.8	82%	0.822	38%	0.38	S	S	*	.			trans	-88.6	158.2	174	-66.5	178.6	-177.7	0	0	110.7
94	G	92.7	Very high	93	Very high	54 Å²	54	74.1 Å²	74.1	56%	0.557	38%	0.384	S	S	*	.	S	Bend	trans	88.7	-153.6	179.6	0	0	0	0	0	114.1	F103	G94-F103 WeakPolarHBondContact O-CD2 3.4Å
95	K	95.3	Very high	91.9	Very high	158 Å²	158	77.4 Å²	77.4	69%	0.687	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-123.4	145.7	-173	-66.9	173.1	177.5	-179.1	0	110.6	L97 G100 K101	K95-L97 PolarHBondContact O-N 3.32Å; K95-G100 WeakPolarHBondContact CD-O 3.46Å; K95-K101 WeakPolarHBondContact CA-O 3.39Å
96	C	96.8	Very high	90.5	Very high	2 Å²	2	81.3 Å²	81.3	1%	0.014	42%	0.423	C	S	.	.			trans	-63.6	128.8	172.9	171.3	0	0	0	0	110.3	K98 G100 K101 F103 S123 H125	C96-K98 VanDerWaalsContact C-N 3.27Å; C96-K98 PolarHBondContact O-N 2.99Å; C96-G100 VanDerWaalsContact O-CA 3.25Å; C96-G100 WeakPolarHBondContact O-CA 3.01Å; C96-G100 PolarHBondContact O-N 3.23Å; C96-K101 PolarHBondContact N-O 2.81Å; C96-F103 HydrophobicContact CB-CE1 4.28Å; C96-F103 HydrophobicContact CB-CZ 4.1Å; C96-S123 WeakPolarHBondContact CA-O 3.26Å; C96-H125 WeakPolarHBondContact CB-CE1 3.47Å; C96-H125 WeakPolarHBondContact CB-ND1 2.94Å; C96-H125 PolarHBondContact SG-N 3.31Å; C96-H125 PolarHBondContact SG-ND1 3.25Å; C96-H125 VanDerWaalsContact SG-ND1 3.44Å
97	L	95.6	Very high	88.7	Confident	117 Å²	117	87.8 Å²	87.8	61%	0.613	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-176.2	-171.8	59.6	0	0	0	112.7	K95 A122 S123 Y124	K95-L97 PolarHBondContact O-N 3.32Å; L97-A122 HydrophobicContact CD2-CB 4.16Å; L97-S123 PolarHBondContact N-O 3.42Å; L97-Y124 HydrophobicContact CB-CD1 4.44Å; L97-Y124 HydrophobicContact CB-CE1 3.98Å
98	K	95.5	Very high	86.9	Confident	151 Å²	151	96 Å²	96	66%	0.657	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-47	180	-174.9	67.4	174.3	-170.3	0	113.5	C96 Y124 C130	C96-K98 VanDerWaalsContact C-N 3.27Å; C96-K98 PolarHBondContact O-N 2.99Å; K98-Y124 HydrophobicContact CB-CD1 3.85Å; K98-Y124 HydrophobicContact CB-CE1 4.03Å; K98-C130 WeakPolarHBondContact CB-O 3.45Å
99	C	95.8	Very high	85.3	Confident	53 Å²	53	93.8 Å²	93.8	36%	0.358	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-5.6	-172	81.8	0	0	0	0	114.3	K101 H125	C99-K101 PolarHBondContact O-N 3.2Å; C99-K101 VanDerWaalsContact O-N 3.09Å; C99-K101 PolarHBondContact SG-N 3.03Å; C99-H125 VanDerWaalsContact SG-CE1 3.51Å; C99-H125 PolarHBondContact SG-ND1 2.88Å; C99-H125 VanDerWaalsContact SG-ND1 3.43Å
100	G	95.1	Very high	84.4	Confident	46 Å²	46	98.9 Å²	98.9	47%	0.474	52%	0.522	S	S	.	.			trans	69.6	-0	179.8	0	0	0	0	0	115.9	K95 C96	K95-G100 WeakPolarHBondContact CD-O 3.46Å; C96-G100 VanDerWaalsContact O-CA 3.25Å; C96-G100 WeakPolarHBondContact O-CA 3.01Å; C96-G100 PolarHBondContact O-N 3.23Å
101	K	95.4	Very high	84.1	Confident	151 Å²	151	100.8 Å²	100.8	66%	0.657	53%	0.533	S	S	*	.			trans	-87.6	150.7	-178	-60.3	179.4	-178.8	-178.8	0	111	K95 C96 C99 H125	K95-K101 WeakPolarHBondContact CA-O 3.39Å; C96-K101 PolarHBondContact N-O 2.81Å; C99-K101 PolarHBondContact O-N 3.2Å; C99-K101 VanDerWaalsContact O-N 3.09Å; C99-K101 PolarHBondContact SG-N 3.03Å; K101-H125 PolarHBondContact O-CE1 3.28Å
102	S	94.4	Very high	84.1	Confident	69 Å²	69	98.3 Å²	98.3	48%	0.483	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-66.1	158	174.9	53.6	0	0	0	0	112.1	Q104 H125	S102-Q104 PolarHBondContact O-N 3.01Å; S102-H125 PolarHBondContact O-NE2 3.18Å
103	F	92.2	Very high	84.1	Confident	15 Å²	15	97 Å²	97	7%	0.066	51%	0.51	C	S	.	.			trans	-77.9	113.7	171.8	-59.7	-82.8	0	0	0	108.9	Q92 G94 C96 T105 I113 A114 H125	Q92-F103 HydrophobicContact CB-CB 4.3Å; Q92-F103 HydrophobicContact CB-CD1 4.19Å; Q92-F103 HydrophobicContact CB-CD2 3.89Å; Q92-F103 HydrophobicContact CB-CE2 4.28Å; Q92-F103 HydrophobicContact CB-CG 3.85Å; Q92-F103 HydrophobicContact CG-CD1 4.39Å; Q92-F103 HydrophobicContact CG-CD2 3.64Å; Q92-F103 HydrophobicContact CG-CE1 4.31Å; Q92-F103 HydrophobicContact CG-CE2 3.57Å; Q92-F103 HydrophobicContact CG-CG 4.08Å; Q92-F103 HydrophobicContact CG-CZ 3.93Å; Q92-F103 WeakPolarHBondContact O-CB 3.27Å; G94-F103 WeakPolarHBondContact O-CD2 3.4Å; C96-F103 HydrophobicContact CB-CE1 4.28Å; C96-F103 HydrophobicContact CB-CZ 4.1Å; F103-T105 PolarHBondContact O-N 3.41Å; F103-I113 HydrophobicContact CB-CD1 3.96Å; F103-A114 HydrophobicContact CD1-CB 3.65Å; F103-A114 HydrophobicContact CE1-CB 3.58Å; F103-A114 HydrophobicContact CZ-CB 4.41Å; F103-H125 AromaticContact CD1-CD2 3.55Å; F103-H125 AromaticContact CD1-NE2 3.8Å; F103-H125 AromaticContact CE1-CD2 3.92Å
104	Q	84.1	Confident	84.3	Confident	156 Å²	156	88.6 Å²	88.6	73%	0.729	47%	0.471	S	S	*	.			trans	-82.5	116.4	177.2	-69.3	179.3	-23.6	0	0	109.3	S102 K106	S102-Q104 PolarHBondContact O-N 3.01Å; Q104-K106 PolarHBondContact O-N 3.33Å
105	T	71.4	Confident	84.4	Confident	100 Å²	100	86.3 Å²	86.3	61%	0.613	45%	0.446	S	S	*	.			trans	-71.7	110.7	168.4	-47.1	0	0	0	0	108	T91 F103 L107	T91-T105 HydrophobicContact CG2-CG2 4.49Å; F103-T105 PolarHBondContact O-N 3.41Å; T105-L107 PolarHBondContact O-N 3.15Å
106	K	65.5	Low	84.5	Confident	114 Å²	114	78.8 Å²	78.8	50%	0.496	41%	0.413	S	S	.	.			trans	-66.2	128	172.4	-74.7	-179	178.5	173.6	0	108.4	Q104 M108 E111	Q104-K106 PolarHBondContact O-N 3.33Å; K106-M108 PolarHBondContact O-N 2.91Å; K106-E111 IonicContact NZ-OE2 2.7Å; K106-E111 PolarHBondContact NZ-OE2 3.21Å
107	L	56	Low	84.4	Confident	177 Å²	177	78.7 Å²	78.7	93%	0.927	41%	0.413	S	S	*	.	S	Bend	trans	-61.9	-26.4	-178.9	-157.9	77.7	0	0	0	113.2	T105	T105-L107 PolarHBondContact O-N 3.15Å
108	M	56.8	Low	84.4	Confident	183 Å²	183	73.1 Å²	73.1	90%	0.901	38%	0.384	S	S	*	.	S	Bend	trans	-130	2.4	-167.1	-69.8	-89.3	-73.4	0	0	114.1	K106	K106-M108 PolarHBondContact O-N 2.91Å
109	G	58.6	Low	84.4	Confident	37 Å²	37	66.2 Å²	66.2	38%	0.381	35%	0.353	S	S	.	.			trans	-114.6	117	-171.7	0	0	0	0	0	112.7	E111	G109-E111 PolarHBondContact O-N 3.44Å
110	K	72.5	Confident	84.3	Confident	120 Å²	120	64.5 Å²	64.5	52%	0.522	34%	0.341	S	S	.	.			trans	-78.2	70	163.7	-66.3	-172.6	-177.9	-162.9	0	109.5	E23 E28 W90	E23-K110 WeakPolarHBondContact OE1-CE 3.16Å; E23-K110 IonicContact OE1-NZ 2.97Å; E23-K110 PolarHBondContact OE1-NZ 2.79Å; E28-K110 WeakPolarHBondContact OE1-CD 3.17Å; E28-K110 WeakPolarHBondContact OE1-CE 3.08Å; E28-K110 IonicContact OE1-NZ 2.74Å; E28-K110 PolarHBondContact OE1-NZ 3.17Å; W90-K110 HydrophobicContact CH2-CB 4.5Å; W90-K110 HydrophobicContact CZ3-CB 3.86Å; W90-K110 WeakPolarHBondContact CZ3-O 3.28Å
111	E	83.1	Confident	84.3	Confident	93 Å²	93	64.9 Å²	64.9	44%	0.435	33%	0.33	S	S	.	.			trans	-121.8	140.1	170.5	-169.2	-175.7	-178.5	0	0	109.4	K106 G109 I113	K106-E111 IonicContact NZ-OE2 2.7Å; K106-E111 PolarHBondContact NZ-OE2 3.21Å; G109-E111 PolarHBondContact O-N 3.44Å; E111-I113 WeakPolarHBondContact O-CG2 3.45Å; E111-I113 PolarHBondContact O-N 3.26Å
112	M	87.9	Confident	84.4	Confident	43 Å²	43	58.6 Å²	58.6	21%	0.212	31%	0.306	C	S	.	.			trans	-68.1	120	171	-70.5	167.9	164.3	0	0	109.2	Y25 H88 R89 W90 N126	Y25-M112 HydrophobicContact CD1-CE 4.25Å; H88-M112 HydrophobicContact CB-CB 4.16Å; H88-M112 HydrophobicContact CB-CE 4.18Å; H88-M112 HydrophobicContact CB-CG 4.13Å; H88-M112 HydrophobicContact CB-SD 3.28Å; H88-M112 WeakPolarHBondContact CB-SD 3.49Å; R89-M112 CarbonylContact O-C 3.42Å; R89-M112 WeakPolarHBondContact O-CA 3.46Å; W90-M112 HydrophobicContact CD2-CG 4.13Å; W90-M112 HydrophobicContact CE3-CG 4.29Å; W90-M112 HydrophobicContact CZ2-CE 4Å; W90-M112 HydrophobicContact CZ2-CG 4.38Å; W90-M112 HydrophobicContact CZ3-CG 4.48Å; M112-N126 VanDerWaalsContact O-CB 3.26Å; M112-N126 WeakPolarHBondContact O-CB 3.4Å; M112-N126 PolarHBondContact O-ND2 3.33Å
113	I	91.7	Very high	84.5	Confident	22 Å²	22	55.8 Å²	55.8	11%	0.113	29%	0.287	C	S	.	.			trans	-93.7	-20.1	-172.4	69	178.8	0	0	0	113.7	R89 W90 F103 E111 H125 N126	R89-I113 PolarHBondContact O-N 2.93Å; W90-I113 VanDerWaalsContact O-CD1 3.31Å; W90-I113 WeakPolarHBondContact O-CD1 3.4Å; W90-I113 WeakPolarHBondContact O-CG1 3.46Å; F103-I113 HydrophobicContact CB-CD1 3.96Å; E111-I113 WeakPolarHBondContact O-CG2 3.45Å; E111-I113 PolarHBondContact O-N 3.26Å; I113-H125 WeakPolarHBondContact O-CA 3.45Å; I113-N126 PolarHBondContact O-N 3.26Å
114	A	94.4	Very high	84.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.1	-172.9	0	0	0	0	0	112.7	H88 R89 Q92 F103 Y124	H88-A114 CarbonylContact C-O 3.5Å; H88-A114 WeakPolarHBondContact CA-O 3.42Å; R89-A114 HydrophobicContact CB-CB 4.4Å; R89-A114 PolarHBondContact N-O 3.38Å; R89-A114 PolarHBondContact O-N 3.05Å; Q92-A114 HydrophobicContact CB-CB 3.59Å; Q92-A114 HydrophobicContact CG-CB 4.02Å; F103-A114 HydrophobicContact CD1-CB 3.65Å; F103-A114 HydrophobicContact CE1-CB 3.58Å; F103-A114 HydrophobicContact CZ-CB 4.41Å; A114-Y124 CarbonylContact C-O 3.58Å; A114-Y124 VanDerWaalsContact CA-O 3.23Å; A114-Y124 WeakPolarHBondContact CA-O 3.01Å
115	I	95.5	Very high	85.3	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121	167.1	-55.6	176.7	0	0	0	106.7	W86 S123 Y124 N126 F131	W86-I115 HydrophobicContact CB-CG2 3.98Å; W86-I115 HydrophobicContact CD2-CG2 4.29Å; W86-I115 HydrophobicContact CE3-CG2 3.88Å; W86-I115 HydrophobicContact CG-CG2 4.36Å; I115-S123 WeakPolarHBondContact O-CA 3.24Å; I115-Y124 PolarHBondContact N-O 3.46Å; I115-Y124 PolarHBondContact O-N 3.25Å; I115-N126 HydrophobicContact CD1-CB 4.49Å; I115-N126 WeakPolarHBondContact CD1-OD1 3.47Å; I115-N126 HydrophobicContact CG1-CB 4.07Å; I115-F131 HydrophobicContact CB-CD2 4.04Å; I115-F131 HydrophobicContact CB-CE2 4.21Å; I115-F131 HydrophobicContact CB-CG 4.43Å; I115-F131 HydrophobicContact CD1-CB 3.99Å; I115-F131 HydrophobicContact CD1-CD1 3.51Å; I115-F131 HydrophobicContact CD1-CD2 4.02Å; I115-F131 HydrophobicContact CD1-CE1 3.92Å; I115-F131 HydrophobicContact CD1-CE2 4.39Å; I115-F131 HydrophobicContact CD1-CG 3.56Å; I115-F131 HydrophobicContact CD1-CZ 4.34Å; I115-F131 HydrophobicContact CG2-CD2 4.01Å; I115-F131 HydrophobicContact CG2-CE2 3.65Å; I115-F131 HydrophobicContact CG2-CZ 3.94Å
116	T	95.9	Very high	86.4	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.9	-173.5	-62.9	0	0	0	0	111.1	V87 Q92 A122 S123	V87-T116 PolarHBondContact N-O 3.46Å; V87-T116 PolarHBondContact O-N 2.91Å; Q92-T116 PolarHBondContact OE1-OG1 3.49Å; T116-A122 CarbonylContact C-O 3.54Å; T116-A122 VanDerWaalsContact CA-O 3.31Å; T116-A122 WeakPolarHBondContact CA-O 3.35Å; T116-S123 VanDerWaalsContact CG2-OG 3.22Å; T116-S123 WeakPolarHBondContact CG2-OG 3.35Å; T116-S123 WeakPolarHBondContact OG1-CB 3.37Å; T116-S123 PolarHBondContact OG1-OG 2.89Å
117	C	96.1	Very high	87.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.1	172	-179.1	0	0	0	0	110.3	H84 H85 W86 W119 C120 K121 A122	H84-C117 PolarHBondContact ND1-SG 3.41Å; H85-C117 CarbonylContact O-C 3.58Å; H85-C117 WeakPolarHBondContact O-CA 3.49Å; W86-C117 HydrophobicContact CD2-CB 4.41Å; W86-C117 HydrophobicContact CE3-CB 3.76Å; W86-C117 HydrophobicContact CH2-CB 3.97Å; W86-C117 HydrophobicContact CZ3-CB 3.53Å; C117-W119 PolarHBondContact O-N 3.45Å; C117-W119 PolarHBondContact SG-N 3.35Å; C117-C120 VanDerWaalsContact CB-SG 3.51Å; C117-C120 VanDerWaalsContact SG-SG 3.63Å; C117-K121 WeakPolarHBondContact O-CA 3.09Å; C117-K121 PolarHBondContact O-N 3.25Å; C117-K121 VanDerWaalsContact O-N 3.12Å; C117-A122 PolarHBondContact N-O 3.27Å
118	S	94.7	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-14	177.1	-55.8	0	0	0	0	113.8	H85 V87 K121	H85-S118 WeakPolarHBondContact ND1-CB 3.43Å; H85-S118 PolarHBondContact ND1-OG 3.11Å; H85-S118 PolarHBondContact O-N 3.39Å; H85-S118 PolarHBondContact O-OG 2.98Å; V87-S118 WeakPolarHBondContact CG2-OG 3.36Å; S118-K121 PolarHBondContact O-NZ 3.41Å
119	W	94.9	Very high	91.1	Very high	6 Å²	6	46.2 Å²	46.2	2%	0.023	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-77.5	176	-67.8	122.4	0	0	0	111.4	K63 S64 M82 C117 K121 L142 I149 N230	K63-W119 HydrophobicContact CB-CZ2 3.83Å; K63-W119 HydrophobicContact CD-CD2 4.12Å; K63-W119 HydrophobicContact CD-CE3 4.23Å; K63-W119 HydrophobicContact CD-CH2 3.81Å; K63-W119 HydrophobicContact CD-CZ2 3.66Å; K63-W119 HydrophobicContact CD-CZ3 4.09Å; K63-W119 HydrophobicContact CG-CH2 4.23Å; K63-W119 HydrophobicContact CG-CZ2 3.76Å; S64-W119 WeakPolarHBondContact O-CZ2 3.46Å; M82-W119 HydrophobicContact CE-CD2 4.34Å; M82-W119 HydrophobicContact CE-CZ2 4.07Å; C117-W119 PolarHBondContact O-N 3.45Å; C117-W119 PolarHBondContact SG-N 3.35Å; W119-K121 PolarHBondContact O-N 3.37Å; W119-K121 PolarHBondContact O-NZ 3.5Å; W119-L142 HydrophobicContact CB-CD2 4.04Å; W119-L142 HydrophobicContact CG-CD2 4.34Å; W119-I149 HydrophobicContact CE3-CD1 4.47Å; W119-I149 HydrophobicContact CE3-CG2 3.91Å; W119-I149 HydrophobicContact CZ3-CG2 3.85Å; W119-N230 HydrophobicContact CH2-CB 3.8Å; W119-N230 HydrophobicContact CZ3-CB 3.93Å
120	C	95.2	Very high	92.8	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.108	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.5	-177.1	66	0	0	0	0	115.2	H84 C117 A122 D141 G143	H84-C120 PolarHBondContact CE1-SG 3.1Å; H84-C120 PolarHBondContact ND1-SG 3.02Å; C117-C120 VanDerWaalsContact CB-SG 3.51Å; C117-C120 VanDerWaalsContact SG-SG 3.63Å; C120-A122 PolarHBondContact O-N 3.38Å; C120-A122 VanDerWaalsContact SG-CB 3.52Å; C120-D141 VanDerWaalsContact CB-OD1 3.31Å; C120-D141 WeakPolarHBondContact CB-OD1 3.35Å; C120-G143 VanDerWaalsContact CB-N 3.33Å
121	K	95.1	Very high	94	Very high	55 Å²	55	40.8 Å²	40.8	24%	0.239	21%	0.205	C	C	.	.			trans	63.1	4.8	-179.7	-45.3	-58.4	-173.5	-82.9	0	115	C117 S118 W119 S123 W227 L228	C117-K121 WeakPolarHBondContact O-CA 3.09Å; C117-K121 PolarHBondContact O-N 3.25Å; C117-K121 VanDerWaalsContact O-N 3.12Å; S118-K121 PolarHBondContact O-NZ 3.41Å; W119-K121 PolarHBondContact O-N 3.37Å; W119-K121 PolarHBondContact O-NZ 3.5Å; K121-S123 PolarHBondContact O-N 3.11Å; K121-S123 PolarHBondContact O-OG 3.24Å; K121-S123 VanDerWaalsContact O-OG 3.09Å; K121-W227 HydrophobicContact CD-CH2 4Å; K121-W227 HydrophobicContact CD-CZ2 3.44Å; K121-W227 VanDerWaalsContact CD-CZ2 3.44Å; K121-W227 VanDerWaalsContact CE-CE2 3.44Å; K121-W227 PolarHBondContact NZ-O 3.38Å; K121-W227 VanDerWaalsContact NZ-O 3.15Å; K121-L228 PolarHBondContact NZ-O 3.03Å
122	A	95.8	Very high	94.4	Very high	19 Å²	19	40.1 Å²	40.1	16%	0.157	20%	0.204	C	C	.	.			trans	-54.2	131.9	171.5	0	0	0	0	0	110.2	W86 L97 T116 C117 C120 Y124	W86-A122 HydrophobicContact CH2-CB 4.43Å; L97-A122 HydrophobicContact CD2-CB 4.16Å; T116-A122 CarbonylContact C-O 3.54Å; T116-A122 VanDerWaalsContact CA-O 3.31Å; T116-A122 WeakPolarHBondContact CA-O 3.35Å; C117-A122 PolarHBondContact N-O 3.27Å; C120-A122 PolarHBondContact O-N 3.38Å; C120-A122 VanDerWaalsContact SG-CB 3.52Å; A122-Y124 HydrophobicContact CB-CE2 4.12Å
123	S	96.7	Very high	94.5	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.6	-173.5	-62.3	0	0	0	0	110.7	C96 L97 I115 T116 K121	C96-S123 WeakPolarHBondContact CA-O 3.26Å; L97-S123 PolarHBondContact N-O 3.42Å; I115-S123 WeakPolarHBondContact O-CA 3.24Å; T116-S123 VanDerWaalsContact CG2-OG 3.22Å; T116-S123 WeakPolarHBondContact CG2-OG 3.35Å; T116-S123 WeakPolarHBondContact OG1-CB 3.37Å; T116-S123 PolarHBondContact OG1-OG 2.89Å; K121-S123 PolarHBondContact O-N 3.11Å; K121-S123 PolarHBondContact O-OG 3.24Å; K121-S123 VanDerWaalsContact O-OG 3.09Å
124	Y	97.4	Very high	94.5	Very high	28 Å²	28	49 Å²	49	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151	-179.2	-60.7	-93.2	0	0	0	109.9	W86 L97 K98 A114 I115 A122 C130 F131 L135	W86-Y124 HydrophobicContact CH2-CD2 4.21Å; W86-Y124 AromaticContact CH2-CE2 3.74Å; W86-Y124 HydrophobicContact CH2-CE2 3.74Å; W86-Y124 HydrophobicContact CZ3-CD2 4.05Å; W86-Y124 HydrophobicContact CZ3-CE2 4.01Å; L97-Y124 HydrophobicContact CB-CD1 4.44Å; L97-Y124 HydrophobicContact CB-CE1 3.98Å; K98-Y124 HydrophobicContact CB-CD1 3.85Å; K98-Y124 HydrophobicContact CB-CE1 4.03Å; A114-Y124 CarbonylContact C-O 3.58Å; A114-Y124 VanDerWaalsContact CA-O 3.23Å; A114-Y124 WeakPolarHBondContact CA-O 3.01Å; I115-Y124 PolarHBondContact N-O 3.46Å; I115-Y124 PolarHBondContact O-N 3.25Å; A122-Y124 HydrophobicContact CB-CE2 4.12Å; Y124-C130 VanDerWaalsContact CD1-O 3.24Å; Y124-C130 WeakPolarHBondContact CD1-O 3.49Å; Y124-F131 AromaticContact CD2-CD2 3.97Å; Y124-F131 HydrophobicContact CD2-CD2 3.97Å; Y124-F131 HydrophobicContact CD2-CE2 4.45Å; Y124-F131 HydrophobicContact CG-CD2 4.06Å; Y124-L135 HydrophobicContact CE1-CD1 4.16Å; Y124-L135 HydrophobicContact CE2-CD1 4.08Å
125	H	96.3	Very high	94.4	Very high	26 Å²	26	50.1 Å²	50.1	12%	0.12	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	141.9	168.4	-66.5	110.4	0	0	0	109.7	C96 C99 K101 S102 F103 I113 K127 C130	C96-H125 WeakPolarHBondContact CB-CE1 3.47Å; C96-H125 WeakPolarHBondContact CB-ND1 2.94Å; C96-H125 PolarHBondContact SG-N 3.31Å; C96-H125 PolarHBondContact SG-ND1 3.25Å; C96-H125 VanDerWaalsContact SG-ND1 3.44Å; C99-H125 VanDerWaalsContact SG-CE1 3.51Å; C99-H125 PolarHBondContact SG-ND1 2.88Å; C99-H125 VanDerWaalsContact SG-ND1 3.43Å; K101-H125 PolarHBondContact O-CE1 3.28Å; S102-H125 PolarHBondContact O-NE2 3.18Å; F103-H125 AromaticContact CD1-CD2 3.55Å; F103-H125 AromaticContact CD1-NE2 3.8Å; F103-H125 AromaticContact CE1-CD2 3.92Å; I113-H125 WeakPolarHBondContact O-CA 3.45Å; H125-K127 PolarHBondContact O-N 3.44Å; H125-C130 HydrophobicContact CB-CB 3.85Å
126	N	93.6	Very high	94.1	Very high	46 Å²	46	53.7 Å²	53.7	25%	0.246	27%	0.272	C	S	.	.	S	Bend	trans	-73.8	64.2	175	-172.9	21.2	0	0	0	111	M112 I113 I115	M112-N126 VanDerWaalsContact O-CB 3.26Å; M112-N126 WeakPolarHBondContact O-CB 3.4Å; M112-N126 PolarHBondContact O-ND2 3.33Å; I113-N126 PolarHBondContact O-N 3.26Å; I115-N126 HydrophobicContact CD1-CB 4.49Å; I115-N126 WeakPolarHBondContact CD1-OD1 3.47Å; I115-N126 HydrophobicContact CG1-CB 4.07Å
127	K	92.5	Very high	93.7	Very high	137 Å²	137	61.1 Å²	61.1	60%	0.596	31%	0.307	S	S	*	.	S	Bend	trans	-146.6	138.3	-180	-65.7	-176.5	179.2	177.5	0	107.7	H125 K129 C130 F131	H125-K127 PolarHBondContact O-N 3.44Å; K127-K129 PolarHBondContact O-N 3.25Å; K127-C130 PolarHBondContact O-N 2.93Å; K127-F131 PolarHBondContact O-N 3.45Å
128	C	91.1	Very high	93.5	Very high	118 Å²	118	65.5 Å²	65.5	80%	0.797	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.1	178.7	57.6	0	0	0	0	114.1	C130	C128-C130 PolarHBondContact O-N 3.25Å
129	K	93.8	Very high	93.4	Very high	188 Å²	188	69.5 Å²	69.5	82%	0.817	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-19	174.8	-61.5	-172.8	-179.8	-174.8	0	113.8	K127	K127-K129 PolarHBondContact O-N 3.25Å
130	C	95.9	Very high	93.3	Very high	18 Å²	18	69.8 Å²	69.8	12%	0.122	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-40.3	-176.3	-70.9	0	0	0	0	112.4	K98 Y124 H125 K127 C128	K98-C130 WeakPolarHBondContact CB-O 3.45Å; Y124-C130 VanDerWaalsContact CD1-O 3.24Å; Y124-C130 WeakPolarHBondContact CD1-O 3.49Å; H125-C130 HydrophobicContact CB-CB 3.85Å; K127-C130 PolarHBondContact O-N 2.93Å; C128-C130 PolarHBondContact O-N 3.25Å
131	F	96	Very high	93.1	Very high	25 Å²	25	74.2 Å²	74.2	11%	0.11	38%	0.378	C	S	.	.			trans	-107.2	115.5	178.4	-173.9	-96.9	0	0	0	110.2	W86 I115 Y124 K127 L135 I136	W86-F131 AromaticContact CD2-CE2 3.86Å; W86-F131 HydrophobicContact CD2-CE2 3.86Å; W86-F131 HydrophobicContact CD2-CZ 4.08Å; W86-F131 AromaticContact CE2-CE2 3.97Å; W86-F131 AromaticContact CE3-CE2 3.94Å; W86-F131 HydrophobicContact CE3-CE2 3.94Å; W86-F131 HydrophobicContact CG-CE2 4.41Å; W86-F131 HydrophobicContact CG-CZ 4.17Å; W86-F131 HydrophobicContact CH2-CE2 4.34Å; W86-F131 HydrophobicContact CZ2-CE2 4.23Å; W86-F131 HydrophobicContact CZ3-CE2 4.17Å; I115-F131 HydrophobicContact CB-CD2 4.04Å; I115-F131 HydrophobicContact CB-CE2 4.21Å; I115-F131 HydrophobicContact CB-CG 4.43Å; I115-F131 HydrophobicContact CD1-CB 3.99Å; I115-F131 HydrophobicContact CD1-CD1 3.51Å; I115-F131 HydrophobicContact CD1-CD2 4.02Å; I115-F131 HydrophobicContact CD1-CE1 3.92Å; I115-F131 HydrophobicContact CD1-CE2 4.39Å; I115-F131 HydrophobicContact CD1-CG 3.56Å; I115-F131 HydrophobicContact CD1-CZ 4.34Å; I115-F131 HydrophobicContact CG2-CD2 4.01Å; I115-F131 HydrophobicContact CG2-CE2 3.65Å; I115-F131 HydrophobicContact CG2-CZ 3.94Å; Y124-F131 AromaticContact CD2-CD2 3.97Å; Y124-F131 HydrophobicContact CD2-CD2 3.97Å; Y124-F131 HydrophobicContact CD2-CE2 4.45Å; Y124-F131 HydrophobicContact CG-CD2 4.06Å; K127-F131 PolarHBondContact O-N 3.45Å; F131-L135 HydrophobicContact CD2-CD1 3.99Å; F131-L135 HydrophobicContact CE2-CB 4.32Å; F131-L135 HydrophobicContact CE2-CD1 4.1Å; F131-L135 HydrophobicContact CZ-CB 4.44Å; F131-I136 HydrophobicContact CE1-CD1 4.4Å; F131-I136 HydrophobicContact CE1-CG1 4.25Å; F131-I136 HydrophobicContact CZ-CG1 4.11Å
132	D	92.7	Very high	93	Very high	79 Å²	79	72.3 Å²	72.3	42%	0.422	37%	0.371	S	S	.	.			trans	-89.4	133.9	174.6	-171	-20.4	0	0	0	109.6	Q134 L135	D132-Q134 PolarHBondContact O-N 2.96Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.32Å; D132-Q134 PolarHBondContact OD1-N 3.21Å; D132-L135 HydrophobicContact CB-CD1 4.35Å; D132-L135 HydrophobicContact CB-CG 4.25Å; D132-L135 VanDerWaalsContact O-CB 3.25Å; D132-L135 WeakPolarHBondContact O-CB 3.37Å; D132-L135 WeakPolarHBondContact O-CG 3.5Å; D132-L135 PolarHBondContact O-N 3.02Å; D132-L135 VanDerWaalsContact O-N 3.09Å
133	I	90.5	Very high	92.8	Very high	130 Å²	130	72.2 Å²	72.2	67%	0.667	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.4	179	-161	161.6	0	0	0	112.3	L135 I136	I133-L135 PolarHBondContact O-N 3.28Å; I133-I136 HydrophobicContact CG1-CD1 3.84Å; I133-I136 VanDerWaalsContact O-CB 3.3Å; I133-I136 WeakPolarHBondContact O-CB 3.4Å; I133-I136 WeakPolarHBondContact O-CG1 3.49Å; I133-I136 PolarHBondContact O-N 3.01Å
134	Q	90.7	Very high	92.5	Very high	121 Å²	121	76.4 Å²	76.4	57%	0.565	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.2	174.7	-64.5	-176.7	-4.3	0	0	112.7	D132 I136 E137 Q138	D132-Q134 PolarHBondContact O-N 2.96Å; D132-Q134 WeakPolarHBondContact OD1-CG 3.32Å; D132-Q134 PolarHBondContact OD1-N 3.21Å; Q134-I136 PolarHBondContact O-N 3.22Å; Q134-I136 VanDerWaalsContact O-N 3.16Å; Q134-E137 PolarHBondContact O-N 3.18Å; Q134-E137 VanDerWaalsContact O-N 3.16Å; Q134-Q138 PolarHBondContact O-N 2.85Å
135	L	92	Very high	92.2	Very high	24 Å²	24	76 Å²	76	13%	0.126	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-63.9	-16.6	174.6	-63.8	170.9	0	0	0	113	W86 Y124 F131 D132 I133	W86-L135 HydrophobicContact CZ2-CB 4.06Å; W86-L135 PolarHBondContact NE1-O 2.95Å; W86-L135 VanDerWaalsContact NE1-O 3.13Å; Y124-L135 HydrophobicContact CE1-CD1 4.16Å; Y124-L135 HydrophobicContact CE2-CD1 4.08Å; F131-L135 HydrophobicContact CD2-CD1 3.99Å; F131-L135 HydrophobicContact CE2-CB 4.32Å; F131-L135 HydrophobicContact CE2-CD1 4.1Å; F131-L135 HydrophobicContact CZ-CB 4.44Å; D132-L135 HydrophobicContact CB-CD1 4.35Å; D132-L135 HydrophobicContact CB-CG 4.25Å; D132-L135 VanDerWaalsContact O-CB 3.25Å; D132-L135 WeakPolarHBondContact O-CB 3.37Å; D132-L135 WeakPolarHBondContact O-CG 3.5Å; D132-L135 PolarHBondContact O-N 3.02Å; D132-L135 VanDerWaalsContact O-N 3.09Å; I133-L135 PolarHBondContact O-N 3.28Å
136	I	89.8	Confident	91.9	Very high	80 Å²	80	79.8 Å²	79.8	41%	0.41	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-72.3	-33.5	176.5	-61.3	-178.9	0	0	0	111.1	F131 I133 Q134	F131-I136 HydrophobicContact CE1-CD1 4.4Å; F131-I136 HydrophobicContact CE1-CG1 4.25Å; F131-I136 HydrophobicContact CZ-CG1 4.11Å; I133-I136 HydrophobicContact CG1-CD1 3.84Å; I133-I136 VanDerWaalsContact O-CB 3.3Å; I133-I136 WeakPolarHBondContact O-CB 3.4Å; I133-I136 WeakPolarHBondContact O-CG1 3.49Å; I133-I136 PolarHBondContact O-N 3.01Å; Q134-I136 PolarHBondContact O-N 3.22Å; Q134-I136 VanDerWaalsContact O-N 3.16Å
137	E	87.8	Confident	91.5	Very high	158 Å²	158	80 Å²	80	74%	0.738	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.8	-177	-62	-175.3	160.4	0	0	112.8	Q134	Q134-E137 PolarHBondContact O-N 3.18Å; Q134-E137 VanDerWaalsContact O-N 3.16Å
138	Q	91.4	Very high	91.4	Very high	92 Å²	92	73.7 Å²	73.7	43%	0.43	40%	0.397	S	S	.	.	S	Bend	trans	-68.5	146.3	178.9	-70.9	-179.7	8.9	0	0	112.4	H84 Q134	H84-Q138 PolarHBondContact CD2-O 3.16Å; Q134-Q138 PolarHBondContact O-N 2.85Å
139	P	91.7	Very high	91.4	Very high	84 Å²	84	68.1 Å²	68.1	55%	0.545	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-71.3	143.9	172.7	31.7	-35.3	0	0	0	110.9	P81 M82 H84	P81-P139 HydrophobicContact CB-CB 3.94Å; M82-P139 CarbonylContact O-C 3.56Å; M82-P139 WeakPolarHBondContact O-CA 3.32Å; H84-P139 PolarHBondContact NE2-O 3.48Å
140	C	93.2	Very high	91.2	Very high	11 Å²	11	59.2 Å²	59.2	7%	0.074	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-82.4	126.9	175.3	-175	0	0	0	0	110.7	M82 H84 L142	M82-C140 PolarHBondContact O-N 3.01Å; H84-C140 HydrophobicContact CB-CB 4.4Å; H84-C140 WeakPolarHBondContact NE2-CA 3.35Å; C140-L142 PolarHBondContact O-N 2.78Å; C140-L142 PolarHBondContact SG-N 2.74Å; C140-L142 VanDerWaalsContact SG-N 3.4Å
141	D	91.6	Very high	90.9	Very high	109 Å²	109	59 Å²	59	58%	0.583	32%	0.319	S	S	*	.			trans	-77.4	-0.3	174.9	68.5	-10.3	0	0	0	114.4	C120 G143 K146	C120-D141 VanDerWaalsContact CB-OD1 3.31Å; C120-D141 WeakPolarHBondContact CB-OD1 3.35Å; D141-G143 PolarHBondContact O-N 3.44Å; D141-G143 PolarHBondContact OD1-N 3.1Å; D141-K146 WeakPolarHBondContact O-CB 3.35Å
142	L	91.9	Very high	90.5	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	32%	0.317	C	S	.	.			trans	61.9	2.7	-175.7	-53.3	176.5	0	0	0	115.4	M82 W119 C140 K146 I149 P151	M82-L142 HydrophobicContact CB-CD2 4.4Å; M82-L142 HydrophobicContact CE-CD2 4.45Å; M82-L142 HydrophobicContact CG-CD2 4.5Å; W119-L142 HydrophobicContact CB-CD2 4.04Å; W119-L142 HydrophobicContact CG-CD2 4.34Å; C140-L142 PolarHBondContact O-N 2.78Å; C140-L142 PolarHBondContact SG-N 2.74Å; C140-L142 VanDerWaalsContact SG-N 3.4Å; L142-K146 HydrophobicContact CB-CB 3.82Å; L142-I149 HydrophobicContact CB-CD1 4.27Å; L142-I149 HydrophobicContact CD1-CB 4.24Å; L142-I149 HydrophobicContact CD1-CG2 4.12Å; L142-I149 HydrophobicContact CD2-CG2 4.21Å; L142-P151 HydrophobicContact CD1-CG 4.31Å
143	G	92.8	Very high	90	Very high	17 Å²	17	55.4 Å²	55.4	18%	0.175	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	62	-149	173.4	0	0	0	0	0	114.7	C120 D141 L145 K146	C120-G143 VanDerWaalsContact CB-N 3.33Å; D141-G143 PolarHBondContact O-N 3.44Å; D141-G143 PolarHBondContact OD1-N 3.1Å; G143-L145 PolarHBondContact O-N 3.01Å; G143-L145 VanDerWaalsContact O-N 3.16Å; G143-K146 WeakPolarHBondContact O-CB 3.45Å; G143-K146 PolarHBondContact O-N 2.91Å; G143-K146 VanDerWaalsContact O-N 3.1Å
144	A	90	Very high	89.8	Confident	99 Å²	99	49.7 Å²	49.7	82%	0.818	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-62.3	-24.4	-173	0	0	0	0	0	114.5
145	L	90.9	Very high	89.6	Confident	20 Å²	20	44 Å²	44	11%	0.105	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-100.7	17.7	179.6	-65	177.7	0	0	0	112.6	G143 D147 V148 I149 L228 A315	G143-L145 PolarHBondContact O-N 3.01Å; G143-L145 VanDerWaalsContact O-N 3.16Å; L145-D147 PolarHBondContact O-N 2.8Å; L145-D147 VanDerWaalsContact O-N 3.08Å; L145-V148 HydrophobicContact CB-CB 4.43Å; L145-V148 HydrophobicContact CD2-CG2 4.32Å; L145-V148 WeakPolarHBondContact O-CB 3.32Å; L145-V148 PolarHBondContact O-N 2.85Å; L145-I149 HydrophobicContact CB-CD1 4.01Å; L145-I149 HydrophobicContact CB-CG1 4.06Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 3.4Å; L145-L228 HydrophobicContact CD1-CB 3.95Å; L145-L228 HydrophobicContact CD1-CD2 4.03Å; L145-L228 HydrophobicContact CD1-CG 4.42Å; L145-A315 HydrophobicContact CD1-CB 4.28Å; L145-A315 HydrophobicContact CD2-CB 4.48Å
146	K	89.4	Confident	89.1	Confident	104 Å²	104	43 Å²	43	45%	0.452	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-33	-178	68.2	178.9	-172.2	173.3	0	114.3	D141 L142 G143 V148	D141-K146 WeakPolarHBondContact O-CB 3.35Å; L142-K146 HydrophobicContact CB-CB 3.82Å; G143-K146 WeakPolarHBondContact O-CB 3.45Å; G143-K146 PolarHBondContact O-N 2.91Å; G143-K146 VanDerWaalsContact O-N 3.1Å; K146-V148 VanDerWaalsContact C-N 3.26Å; K146-V148 PolarHBondContact O-N 2.89Å
147	D	85.8	Confident	88.5	Confident	50 Å²	50	40.7 Å²	40.7	27%	0.267	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.7	-178.5	-58.7	-42.2	0	0	0	112.6	L145 V322 H323	L145-D147 PolarHBondContact O-N 2.8Å; L145-D147 VanDerWaalsContact O-N 3.08Å; D147-V322 HydrophobicContact CB-CG1 4.35Å; D147-H323 IonicContact OD2-NE2 3.8Å
148	V	89.6	Confident	87.8	Confident	5 Å²	5	34 Å²	34	3%	0.03	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-38	-179	179.8	0	0	0	0	111.1	L145 K146 I150 L205 V229 Q233 L318 V322	L145-V148 HydrophobicContact CB-CB 4.43Å; L145-V148 HydrophobicContact CD2-CG2 4.32Å; L145-V148 WeakPolarHBondContact O-CB 3.32Å; L145-V148 PolarHBondContact O-N 2.85Å; K146-V148 VanDerWaalsContact C-N 3.26Å; K146-V148 PolarHBondContact O-N 2.89Å; V148-I150 PolarHBondContact O-N 3.24Å; V148-L205 HydrophobicContact CG1-CB 4.45Å; V148-L205 HydrophobicContact CG1-CD2 3.57Å; V148-V229 HydrophobicContact CG1-CG1 3.69Å; V148-Q233 PolarHBondContact O-NE2 3.37Å; V148-L318 HydrophobicContact CG1-CB 4.37Å; V148-L318 HydrophobicContact CG1-CD1 4.18Å; V148-L318 HydrophobicContact CG1-CD2 4.31Å; V148-L318 HydrophobicContact CG2-CB 4.38Å; V148-V322 HydrophobicContact CG2-CG2 3.76Å
149	I	91.8	Very high	86.4	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-71.5	124.6	-174.7	-63.8	175.5	0	0	0	109.9	W119 L142 L145 P151 V229	W119-I149 HydrophobicContact CE3-CD1 4.47Å; W119-I149 HydrophobicContact CE3-CG2 3.91Å; W119-I149 HydrophobicContact CZ3-CG2 3.85Å; L142-I149 HydrophobicContact CB-CD1 4.27Å; L142-I149 HydrophobicContact CD1-CB 4.24Å; L142-I149 HydrophobicContact CD1-CG2 4.12Å; L142-I149 HydrophobicContact CD2-CG2 4.21Å; L145-I149 HydrophobicContact CB-CD1 4.01Å; L145-I149 HydrophobicContact CB-CG1 4.06Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 3.4Å; I149-P151 WeakPolarHBondContact O-CD 3.4Å; I149-V229 HydrophobicContact CG1-CG1 4.32Å
150	I	90.5	Very high	84.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-84.6	118.3	169.8	-71.8	165.1	0	0	0	109.2	V148 W154 I155 V190 P204 N230 Q233 Y250	V148-I150 PolarHBondContact O-N 3.24Å; I150-W154 HydrophobicContact CG1-CE3 4.25Å; I150-W154 HydrophobicContact CG1-CZ3 4.4Å; I150-W154 HydrophobicContact CG2-CB 3.89Å; I150-W154 HydrophobicContact CG2-CD2 4.32Å; I150-W154 HydrophobicContact CG2-CE3 3.86Å; I150-W154 HydrophobicContact CG2-CG 4.38Å; I150-I155 HydrophobicContact CG2-CD1 4.13Å; I150-I155 HydrophobicContact CG2-CG1 3.97Å; I150-V190 HydrophobicContact CG2-CG1 4.44Å; I150-P204 HydrophobicContact CD1-CB 3.77Å; I150-P204 HydrophobicContact CG1-CB 4.15Å; I150-N230 VanDerWaalsContact O-CB 3.31Å; I150-N230 WeakPolarHBondContact O-CB 3.16Å; I150-N230 PolarHBondContact O-ND2 2.95Å; I150-Q233 HydrophobicContact CB-CG 3.76Å; I150-Q233 HydrophobicContact CD1-CG 3.59Å; I150-Q233 HydrophobicContact CG1-CG 4.02Å; I150-Q233 VanDerWaalsContact N-CD 3.27Å; I150-Y250 HydrophobicContact CD1-CE1 3.44Å; I150-Y250 VanDerWaalsContact CD1-CE1 3.44Å
151	P	89.5	Confident	82.6	Confident	12 Å²	12	33.8 Å²	33.8	8%	0.078	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-55.4	145.5	175.4	-27.2	36.8	0	0	0	112.4	M82 L142 I149 S153 W154	M82-P151 HydrophobicContact CG-CB 3.76Å; M82-P151 HydrophobicContact CG-CG 4.46Å; M82-P151 HydrophobicContact SD-CB 3.86Å; L142-P151 HydrophobicContact CD1-CG 4.31Å; I149-P151 WeakPolarHBondContact O-CD 3.4Å; P151-S153 WeakPolarHBondContact CB-OG 3.44Å; P151-S153 PolarHBondContact O-N 2.87Å; P151-W154 HydrophobicContact CB-CG 4.3Å; P151-W154 HydrophobicContact CG-CD2 4.34Å; P151-W154 HydrophobicContact CG-CG 4.38Å; P151-W154 WeakPolarHBondContact O-CB 3.46Å; P151-W154 PolarHBondContact O-N 2.98Å
152	A	87.9	Confident	80.3	Confident	8 Å²	8	38.3 Å²	38.3	7%	0.066	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.8	173.2	0	0	0	0	0	111.8	S64 Y66 A67 M82 W154 I155	S64-A152 VanDerWaalsContact O-CB 3.31Å; S64-A152 WeakPolarHBondContact O-CB 3.34Å; Y66-A152 CarbonylContact C-O 3.51Å; Y66-A152 WeakPolarHBondContact CA-O 3.21Å; A67-A152 PolarHBondContact N-O 3.12Å; M82-A152 HydrophobicContact CE-CB 4.15Å; M82-A152 HydrophobicContact SD-CB 3.88Å; M82-A152 PolarHBondContact SD-N 2.79Å; A152-W154 PolarHBondContact O-N 3.1Å; A152-I155 PolarHBondContact O-N 3Å
153	S	82.1	Confident	77.5	Confident	21 Å²	21	45 Å²	45	15%	0.147	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-64.9	-16.8	178.4	60.5	0	0	0	0	114.5	P151 M193	P151-S153 WeakPolarHBondContact CB-OG 3.44Å; P151-S153 PolarHBondContact O-N 2.87Å; S153-M193 WeakPolarHBondContact OG-CE 3.43Å
154	W	84.5	Confident	74.9	Confident	11 Å²	11	49.1 Å²	49.1	4%	0.042	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-83.9	-25.3	173.6	-67.6	15.2	0	0	0	112.2	I150 P151 A152 N156 V190 R191 P192 M202 P204	I150-W154 HydrophobicContact CG1-CE3 4.25Å; I150-W154 HydrophobicContact CG1-CZ3 4.4Å; I150-W154 HydrophobicContact CG2-CB 3.89Å; I150-W154 HydrophobicContact CG2-CD2 4.32Å; I150-W154 HydrophobicContact CG2-CE3 3.86Å; I150-W154 HydrophobicContact CG2-CG 4.38Å; P151-W154 HydrophobicContact CB-CG 4.3Å; P151-W154 HydrophobicContact CG-CD2 4.34Å; P151-W154 HydrophobicContact CG-CG 4.38Å; P151-W154 WeakPolarHBondContact O-CB 3.46Å; P151-W154 PolarHBondContact O-N 2.98Å; A152-W154 PolarHBondContact O-N 3.1Å; W154-N156 PolarHBondContact O-ND2 2.81Å; W154-V190 HydrophobicContact CB-CG1 4.17Å; W154-V190 CarbonylContact O-C 3.27Å; W154-V190 WeakPolarHBondContact O-CA 3.33Å; W154-R191 WeakPolarHBondContact CA-O 3.49Å; W154-R191 WeakPolarHBondContact CB-O 3.37Å; W154-R191 PolarHBondContact O-N 3.33Å; W154-P192 HydrophobicContact CE3-CB 4.23Å; W154-P192 HydrophobicContact CH2-CB 4.28Å; W154-P192 HydrophobicContact CZ3-CB 4.15Å; W154-M202 HydrophobicContact CH2-CB 3.87Å; W154-M202 HydrophobicContact CH2-CE 3.67Å; W154-M202 HydrophobicContact CH2-CG 4.43Å; W154-M202 HydrophobicContact CH2-SD 3.72Å; W154-M202 HydrophobicContact CZ2-CE 3.97Å; W154-M202 HydrophobicContact CZ2-SD 3.68Å; W154-P204 HydrophobicContact CZ3-CB 4.12Å; W154-P204 HydrophobicContact CZ3-CG 3.89Å
155	I	86.6	Confident	72.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.3	-175.5	-51.5	-173.6	0	0	0	108.4	Y66 A67 I150 A152 F188 V190 R232 M249	Y66-I155 CarbonylContact C-O 3.29Å; Y66-I155 WeakPolarHBondContact CA-O 3.36Å; Y66-I155 WeakPolarHBondContact CB-O 3.22Å; A67-I155 PolarHBondContact N-O 2.9Å; I150-I155 HydrophobicContact CG2-CD1 4.13Å; I150-I155 HydrophobicContact CG2-CG1 3.97Å; A152-I155 PolarHBondContact O-N 3Å; I155-F188 HydrophobicContact CG2-CB 4.18Å; I155-F188 HydrophobicContact CG2-CD1 4.16Å; I155-F188 HydrophobicContact CG2-CG 4.25Å; I155-V190 HydrophobicContact CG1-CG2 4.09Å; I155-V190 HydrophobicContact CG2-CG2 4.48Å; I155-R232 HydrophobicContact CD1-CB 3.57Å; I155-M249 HydrophobicContact CD1-CE 4.47Å; I155-M249 HydrophobicContact CG2-CE 3.53Å
156	N	81.2	Confident	69.9	Low	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	-171.6	-69.9	-81.1	0	0	0	110.5	M76 W154 F188 F189	M76-N156 WeakPolarHBondContact CE-OD1 3.25Å; W154-N156 PolarHBondContact O-ND2 2.81Å; N156-F188 WeakPolarHBondContact O-CA 3.22Å; N156-F188 WeakPolarHBondContact O-CB 3.48Å; N156-F189 HydrophobicContact CB-CD1 3.97Å; N156-F189 HydrophobicContact CB-CD2 4.41Å; N156-F189 HydrophobicContact CB-CE1 3.31Å; N156-F189 HydrophobicContact CB-CE2 3.84Å; N156-F189 HydrophobicContact CB-CG 4.46Å; N156-F189 HydrophobicContact CB-CZ 3.23Å; N156-F189 PolarHBondContact N-O 2.97Å; N156-F189 PolarHBondContact O-N 3.29Å
157	K	78.4	Confident	67.4	Low	31 Å²	31	57.5 Å²	57.5	14%	0.135	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.8	174.2	-168.2	172.8	-176.2	172.7	0	110.4	E6 Y66 A67 F188	E6-K157 PolarHBondContact O-NZ 2.82Å; E6-K157 VanDerWaalsContact O-NZ 3.12Å; Y66-K157 HydrophobicContact CD2-CB 3.97Å; Y66-K157 HydrophobicContact CE2-CB 3.75Å; Y66-K157 HydrophobicContact CE2-CD 3.8Å; Y66-K157 HydrophobicContact CE2-CG 4.29Å; A67-K157 PolarHBondContact O-N 2.85Å; K157-F188 HydrophobicContact CB-CD1 4.01Å; K157-F188 HydrophobicContact CB-CE1 3.86Å; K157-F188 HydrophobicContact CD-CE1 4.46Å; K157-F188 HydrophobicContact CG-CD1 4.35Å; K157-F188 HydrophobicContact CG-CE1 3.96Å
158	I	72.1	Confident	65.2	Low	19 Å²	19	66.5 Å²	66.5	10%	0.097	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75.2	130.9	173.7	-64.4	170.2	0	0	0	108.2	R186 I187 F189 Y671	I158-R186 HydrophobicContact CD1-CB 3.91Å; I158-R186 WeakPolarHBondContact CD1-O 3.07Å; I158-I187 PolarHBondContact N-O 3.02Å; I158-F189 HydrophobicContact CD1-CD1 4.45Å; I158-F189 HydrophobicContact CG1-CD1 3.82Å; I158-F189 HydrophobicContact CG1-CE1 4.47Å; I158-Y671 HydrophobicContact CG2-CD1 4.29Å; I158-Y671 HydrophobicContact CG2-CE1 3.63Å
159	P	63	Low	62.9	Low	23 Å²	23	69.8 Å²	69.8	15%	0.149	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-56.4	139.4	-176.5	-26.2	33.8	0	0	0	113.5	Y671 F674	P159-Y671 PolarHBondContact O-OH 3.18Å; P159-F674 HydrophobicContact CG-CE2 4.29Å
160	C	57.7	Low	60.7	Low	50 Å²	50	73 Å²	73	34%	0.338	36%	0.355	S	S	.	.			trans	-88.9	-34.9	172.9	-85.2	0	0	0	0	113	R183	C160-R183 VanDerWaalsContact O-CZ 3.31Å; C160-R183 PolarHBondContact O-NH2 3Å
161	C	47.3	Very low	58.7	Low	108 Å²	108	75.6 Å²	75.6	73%	0.73	37%	0.374	S	S	*	.	S	Bend	trans	-149	153.8	-170.3	-73.8	0	0	0	0	114.2
162	R	43.4	Very low	56.9	Low	205 Å²	205	76.6 Å²	76.6	77%	0.774	38%	0.381	S	S	*	.			trans	-21.2	139.5	178.1	-77.1	-178.8	-173.5	157.5	2.2	118.6
163	Y	34.1	Very low	55.2	Low	154 Å²	154	82.4 Å²	82.4	60%	0.604	41%	0.411	S	S	*	.			trans	-56.7	130.1	138.4	-108.4	-84.2	0	0	0	108.8	W70 S165	W70-Y163 HydrophobicContact CH2-CD2 4.3Å; W70-Y163 AromaticContact CH2-CE2 3.62Å; W70-Y163 HydrophobicContact CH2-CE2 3.62Å; W70-Y163 HydrophobicContact CZ3-CD2 4.39Å; W70-Y163 AromaticContact CZ3-CE2 3.81Å; W70-Y163 HydrophobicContact CZ3-CE2 3.81Å; Y163-S165 PolarHBondContact O-N 2.56Å
164	P	37.2	Very low	53.8	Low	104 Å²	104	81.4 Å²	81.4	68%	0.675	40%	0.404	S	S	*	.			trans	-73.4	71	159.9	31.9	-29.2	0	0	0	107.6
165	S	39.3	Very low	52.3	Low	69 Å²	69	81 Å²	81	48%	0.483	40%	0.403	S	S	.	.			trans	-99.7	126.7	162.9	88.4	0	0	0	0	106.5	Y163 R167	Y163-S165 PolarHBondContact O-N 2.56Å; S165-R167 PolarHBondContact O-N 2.7Å
166	N	36.8	Very low	50.8	Low	136 Å²	136	84.5 Å²	84.5	73%	0.727	42%	0.421	S	S	*	.	S	Bend	trans	-58.4	11.2	174.3	-87.7	-20.7	0	0	0	114.5	R168	N166-R168 PolarHBondContact O-N 2.64Å
167	R	37.2	Very low	49.6	Very low	194 Å²	194	92.2 Å²	92.2	73%	0.732	45%	0.45	S	S	*	.			trans	-85.1	90.7	169.6	-68.4	-171.2	-155.2	-166	5.6	109.4	S165 T169	S165-R167 PolarHBondContact O-N 2.7Å; R167-T169 HydrophobicContact CB-CG2 3.95Å; R167-T169 HydrophobicContact CG-CG2 4.45Å; R167-T169 PolarHBondContact O-N 3.13Å
168	R	38.9	Very low	48.6	Very low	239 Å²	239	91.8 Å²	91.8	90%	0.902	45%	0.448	S	S	*	.			trans	-67.4	56.1	155.6	-69.5	-177.9	-177.2	167.1	1.7	109.6	N166	N166-R168 PolarHBondContact O-N 2.64Å
169	T	42.6	Very low	47.9	Very low	74 Å²	74	93 Å²	93	45%	0.454	45%	0.451	S	S	.	.			trans	-92.8	103.8	176.8	46.5	0	0	0	0	108.1	R167 S171	R167-T169 HydrophobicContact CB-CG2 3.95Å; R167-T169 HydrophobicContact CG-CG2 4.45Å; R167-T169 PolarHBondContact O-N 3.13Å; T169-S171 PolarHBondContact O-N 2.99Å
170	F	44.7	Very low	47.6	Very low	69 Å²	69	99 Å²	99	30%	0.303	48%	0.475	S	S	.	.			trans	52.3	43.6	158.9	-65.7	-81	0	0	0	119.4	S172 W599 H666 A696	F170-S172 PolarHBondContact O-N 2.92Å; F170-W599 HydrophobicContact CB-CH2 4.12Å; F170-W599 HydrophobicContact CB-CZ2 4.43Å; F170-W599 HydrophobicContact CD1-CH2 4.12Å; F170-W599 AromaticContact CD1-CZ2 3.59Å; F170-W599 HydrophobicContact CD1-CZ2 3.59Å; F170-W599 HydrophobicContact CE1-CZ2 4.29Å; F170-W599 HydrophobicContact CG-CH2 4.41Å; F170-W599 HydrophobicContact CG-CZ2 4.32Å; F170-H666 PolarHBondContact O-CE1 3.44Å; F170-H666 VanDerWaalsContact O-CE1 3.32Å; F170-A696 HydrophobicContact CE1-CB 4.47Å; F170-A696 HydrophobicContact CE2-CB 4.08Å; F170-A696 WeakPolarHBondContact CE2-O 3.25Å; F170-A696 HydrophobicContact CZ-CB 3.62Å; F170-A696 VanDerWaalsContact CZ-O 3.29Å; F170-A696 WeakPolarHBondContact CZ-O 3.24Å
171	S	48.8	Very low	47.5	Very low	56 Å²	56	101.5 Å²	101.5	39%	0.392	48%	0.477	S	S	.	.			trans	-86.1	94.9	164	-173.5	0	0	0	0	109.5	T169 S175	T169-S171 PolarHBondContact O-N 2.99Å; S171-S175 PolarHBondContact OG-OG 3.22Å
172	S	51	Low	47.9	Very low	34 Å²	34	98.5 Å²	98.5	24%	0.238	45%	0.453	C	S	.	.			trans	-63.8	154.6	172.4	70.5	0	0	0	0	110.8	F170 A174 S175	F170-S172 PolarHBondContact O-N 2.92Å; S172-A174 PolarHBondContact O-N 2.85Å; S172-A174 WeakPolarHBondContact OG-CB 3.44Å; S172-S175 PolarHBondContact O-N 3.17Å; S172-S175 PolarHBondContact O-OG 3.47Å
173	N	52.8	Low	48.5	Very low	129 Å²	129	91.8 Å²	91.8	69%	0.69	43%	0.428	S	S	*	.	H	α-helix	trans	-52.5	-25.9	173.7	-82.3	-27.6	0	0	0	113.3	R177	N173-R177 WeakPolarHBondContact O-CG 3.49Å; N173-R177 PolarHBondContact O-N 3.22Å
174	A	51.5	Low	49.7	Very low	1 Å²	1	91.5 Å²	91.5	1%	0.008	43%	0.43	C	S	.	.	H	α-helix	trans	-61.8	-52.6	174.3	0	0	0	0	0	111.4	S172 L176 R177 R178 E663 Y665	S172-A174 PolarHBondContact O-N 2.85Å; S172-A174 WeakPolarHBondContact OG-CB 3.44Å; A174-L176 PolarHBondContact O-N 2.84Å; A174-R177 WeakPolarHBondContact O-CB 3.49Å; A174-R177 PolarHBondContact O-N 2.88Å; A174-R178 PolarHBondContact O-N 2.95Å; A174-E663 VanDerWaalsContact CB-CD 3.41Å; A174-E663 HydrophobicContact CB-CG 4.22Å; A174-E663 WeakPolarHBondContact CB-OE1 3.31Å; A174-Y665 HydrophobicContact CB-CD1 3.68Å; A174-Y665 HydrophobicContact CB-CE1 3.94Å; A174-Y665 WeakPolarHBondContact O-CD1 3.22Å; A174-Y665 WeakPolarHBondContact O-CE1 3.28Å
175	S	53.8	Low	50.8	Low	3 Å²	3	91.2 Å²	91.2	2%	0.021	42%	0.423	C	S	.	.	H	α-helix	trans	-56.5	-36.2	179.9	68.4	0	0	0	0	112.7	S171 S172 R179 H666	S171-S175 PolarHBondContact OG-OG 3.22Å; S172-S175 PolarHBondContact O-N 3.17Å; S172-S175 PolarHBondContact O-OG 3.47Å; S175-R179 VanDerWaalsContact O-CG 3.26Å; S175-R179 WeakPolarHBondContact O-CG 3.47Å; S175-R179 PolarHBondContact O-N 3.02Å; S175-R179 VanDerWaalsContact O-N 3.09Å; S175-H666 VanDerWaalsContact CB-NE2 3.3Å; S175-H666 WeakPolarHBondContact CB-NE2 3.49Å
176	L	55.4	Low	52.2	Low	72 Å²	72	91.4 Å²	91.4	38%	0.377	41%	0.413	S	S	.	.	H	α-helix	trans	-66.9	-39.7	174.3	-80.9	140.1	0	0	0	113	A174 K180	A174-L176 PolarHBondContact O-N 2.84Å; L176-K180 PolarHBondContact O-N 3.14Å
177	R	55.7	Low	53.9	Low	167 Å²	167	85.4 Å²	85.4	63%	0.63	38%	0.381	S	S	*	.	H	α-helix	trans	-68.7	-45.3	176.9	-73.3	178.1	177.7	-173.3	-2.2	111.8	N173 A174 R179 K180 R181 Y665	N173-R177 WeakPolarHBondContact O-CG 3.49Å; N173-R177 PolarHBondContact O-N 3.22Å; A174-R177 WeakPolarHBondContact O-CB 3.49Å; A174-R177 PolarHBondContact O-N 2.88Å; R177-R179 VanDerWaalsContact C-N 3.33Å; R177-R179 PolarHBondContact O-N 3.08Å; R177-K180 WeakPolarHBondContact O-CA 3.32Å; R177-K180 WeakPolarHBondContact O-CB 3.32Å; R177-K180 PolarHBondContact O-N 3.32Å; R177-R181 PolarHBondContact O-N 3.34Å; R177-Y665 HydrophobicContact CB-CE1 4.42Å
178	R	57.3	Low	56	Low	21 Å²	21	76.4 Å²	76.4	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-53	-49.1	171	173.5	-171.1	-178.6	70	1.1	112.3	A174 K180 R181 I182 D657 Y665	A174-R178 PolarHBondContact O-N 2.95Å; R178-K180 PolarHBondContact O-N 3.05Å; R178-R181 WeakPolarHBondContact O-CA 3.34Å; R178-R181 WeakPolarHBondContact O-CB 3.39Å; R178-R181 PolarHBondContact O-N 3.32Å; R178-I182 HydrophobicContact CG-CD1 3.75Å; R178-I182 HydrophobicContact CG-CG1 4.19Å; R178-I182 PolarHBondContact O-N 2.94Å; R178-D657 IonicContact CZ-OD2 3.59Å; R178-D657 IonicContact NH1-OD2 2.74Å; R178-D657 PolarHBondContact NH1-OD2 2.78Å; R178-D657 VanDerWaalsContact NH2-CB 3.26Å; R178-D657 VanDerWaalsContact NH2-CG 3.29Å; R178-D657 IonicContact NH2-OD2 4Å; R178-D657 PolarHBondContact NH2-OD2 3.22Å; R178-Y665 HydrophobicContact CB-CD1 3.54Å; R178-Y665 HydrophobicContact CB-CD2 3.9Å; R178-Y665 HydrophobicContact CB-CE1 3.79Å; R178-Y665 HydrophobicContact CB-CE2 4.14Å; R178-Y665 HydrophobicContact CB-CG 3.58Å; R178-Y665 VanDerWaalsContact CD-CB 3.42Å; R178-Y665 HydrophobicContact CG-CD1 4.49Å; R178-Y665 HydrophobicContact CG-CD2 4.14Å; R178-Y665 HydrophobicContact CG-CG 4.05Å
179	R	58.2	Low	57.9	Low	45 Å²	45	65.9 Å²	65.9	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-33.8	177.2	-74.4	171.2	-177.2	161	-0.9	111.7	S175 R177 R183 D668	S175-R179 VanDerWaalsContact O-CG 3.26Å; S175-R179 WeakPolarHBondContact O-CG 3.47Å; S175-R179 PolarHBondContact O-N 3.02Å; S175-R179 VanDerWaalsContact O-N 3.09Å; R177-R179 VanDerWaalsContact C-N 3.33Å; R177-R179 PolarHBondContact O-N 3.08Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 WeakPolarHBondContact O-CG 3.33Å; R179-R183 PolarHBondContact O-N 2.98Å; R179-R183 PolarHBondContact O-NH1 3.09Å; R179-D668 IonicContact CZ-OD2 3.55Å; R179-D668 IonicContact NH2-OD2 3.31Å; R179-D668 PolarHBondContact NH2-OD2 2.97Å
180	K	56.9	Low	59.9	Low	150 Å²	150	62.3 Å²	62.3	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-73.6	-31.1	174.2	-73.5	-177	178.6	-179.1	0	112.9	L176 R177 R178	L176-K180 PolarHBondContact O-N 3.14Å; R177-K180 WeakPolarHBondContact O-CA 3.32Å; R177-K180 WeakPolarHBondContact O-CB 3.32Å; R177-K180 PolarHBondContact O-N 3.32Å; R178-K180 PolarHBondContact O-N 3.05Å
181	R	54.7	Low	61.5	Low	102 Å²	102	64 Å²	64	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-73.9	-50.6	177.1	-172.1	177	175	160.6	-1.5	112	R177 R178 R183 K184	R177-R181 PolarHBondContact O-N 3.34Å; R178-R181 WeakPolarHBondContact O-CA 3.34Å; R178-R181 WeakPolarHBondContact O-CB 3.39Å; R178-R181 PolarHBondContact O-N 3.32Å; R181-R183 PolarHBondContact O-N 3.03Å; R181-K184 WeakPolarHBondContact O-CB 3.33Å; R181-K184 PolarHBondContact O-N 2.94Å
182	I	55.9	Low	62.7	Low	44 Å²	44	63.1 Å²	63.1	23%	0.226	28%	0.283	C	S	.	.	H	α-helix	trans	-55.9	-38.2	175.4	-65.9	177	0	0	0	110.8	R178 K184 D185 R186	R178-I182 HydrophobicContact CG-CD1 3.75Å; R178-I182 HydrophobicContact CG-CG1 4.19Å; R178-I182 PolarHBondContact O-N 2.94Å; I182-K184 PolarHBondContact O-N 3.42Å; I182-D185 PolarHBondContact O-N 3.44Å; I182-D185 VanDerWaalsContact O-N 3.08Å; I182-R186 HydrophobicContact CG2-CB 4.29Å; I182-R186 PolarHBondContact O-N 3.45Å
183	R	56	Low	63.6	Low	65 Å²	65	64.1 Å²	64.1	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-52.8	-37	174.9	-85.4	178.1	-169.5	110.8	-19.6	113.6	C160 R179 R181 I187	C160-R183 VanDerWaalsContact O-CZ 3.31Å; C160-R183 PolarHBondContact O-NH2 3Å; R179-R183 WeakPolarHBondContact O-CB 3.39Å; R179-R183 WeakPolarHBondContact O-CG 3.33Å; R179-R183 PolarHBondContact O-N 2.98Å; R179-R183 PolarHBondContact O-NH1 3.09Å; R181-R183 PolarHBondContact O-N 3.03Å; R183-I187 WeakPolarHBondContact O-CG1 3.36Å
184	K	58.1	Low	64.1	Low	147 Å²	147	65.7 Å²	65.7	64%	0.639	29%	0.288	S	S	*	.	H	α-helix	trans	-72.6	-36.4	179.5	-68.6	-174.1	175.9	-176.2	0	112.2	R181 I182	R181-K184 WeakPolarHBondContact O-CB 3.33Å; R181-K184 PolarHBondContact O-N 2.94Å; I182-K184 PolarHBondContact O-N 3.42Å
185	D	61.8	Low	64.6	Low	99 Å²	99	68.6 Å²	68.6	53%	0.529	31%	0.312	S	S	.	.	H	α-helix	trans	-101.9	-32.7	-166.1	-63.2	-20.8	0	0	0	114	I182 F245	I182-D185 PolarHBondContact O-N 3.44Å; I182-D185 VanDerWaalsContact O-N 3.08Å; D185-F245 WeakPolarHBondContact O-CD2 3.41Å; D185-F245 VanDerWaalsContact O-CE2 3.28Å; D185-F245 WeakPolarHBondContact O-CE2 3.29Å
186	R	67.2	Low	65.1	Low	72 Å²	72	75.4 Å²	75.4	27%	0.272	34%	0.343	S	S	.	.			trans	-134.9	104.5	-178.8	-64.6	-173.6	-176.3	-177.3	3.1	111.1	I158 I182 E248 D679	I158-R186 HydrophobicContact CD1-CB 3.91Å; I158-R186 WeakPolarHBondContact CD1-O 3.07Å; I182-R186 HydrophobicContact CG2-CB 4.29Å; I182-R186 PolarHBondContact O-N 3.45Å; R186-E248 IonicContact NH2-OE2 3.82Å; R186-D679 IonicContact CZ-OD1 3.34Å; R186-D679 VanDerWaalsContact CZ-OD1 3.25Å; R186-D679 IonicContact CZ-OD2 2.71Å; R186-D679 IonicContact NH1-OD1 3.75Å; R186-D679 PolarHBondContact NH1-OD1 3.12Å; R186-D679 IonicContact NH1-OD2 2.78Å; R186-D679 PolarHBondContact NH1-OD2 3.09Å; R186-D679 IonicContact NH2-OD1 3.54Å; R186-D679 PolarHBondContact NH2-OD1 3Å
187	I	74.3	Confident	65.5	Low	10 Å²	10	78.5 Å²	78.5	5%	0.051	37%	0.368	C	S	.	.	S	Bend	trans	-102	-29.1	-179	-52.1	166.8	0	0	0	111.7	I5 E6 I158 R183	I5-I187 HydrophobicContact CB-CD1 3.62Å; I5-I187 HydrophobicContact CD1-CD1 4.35Å; I5-I187 HydrophobicContact CG2-CB 4.06Å; I5-I187 HydrophobicContact CG2-CD1 3.49Å; I5-I187 VanDerWaalsContact CG2-CD1 3.49Å; I5-I187 HydrophobicContact CG2-CG1 4.37Å; I5-I187 HydrophobicContact CG2-CG2 3.72Å; E6-I187 HydrophobicContact CG-CD1 3.71Å; E6-I187 HydrophobicContact CG-CG1 4.17Å; I158-I187 PolarHBondContact N-O 3.02Å; R183-I187 WeakPolarHBondContact O-CG1 3.36Å
188	F	81.1	Confident	65.7	Low	6 Å²	6	74.6 Å²	74.6	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.2	177.1	-55.2	-82	0	0	0	110.7	I5 Y66 I155 N156 K157 M249	I5-F188 HydrophobicContact CG2-CD2 4.2Å; I5-F188 HydrophobicContact CG2-CE2 3.23Å; I5-F188 HydrophobicContact CG2-CZ 3.83Å; Y66-F188 AromaticContact CD1-CE1 3.93Å; Y66-F188 HydrophobicContact CD1-CE1 3.93Å; Y66-F188 HydrophobicContact CD1-CZ 4.24Å; Y66-F188 HydrophobicContact CD2-CD1 4.33Å; Y66-F188 AromaticContact CD2-CE1 3.68Å; Y66-F188 HydrophobicContact CD2-CE1 3.68Å; Y66-F188 HydrophobicContact CE1-CE1 4.08Å; Y66-F188 HydrophobicContact CE1-CZ 4.18Å; Y66-F188 AromaticContact CE2-CE1 3.9Å; Y66-F188 HydrophobicContact CE2-CE1 3.9Å; Y66-F188 HydrophobicContact CG-CD1 4.35Å; Y66-F188 AromaticContact CG-CE1 3.69Å; Y66-F188 HydrophobicContact CG-CE1 3.69Å; Y66-F188 HydrophobicContact CG-CZ 4.44Å; I155-F188 HydrophobicContact CG2-CB 4.18Å; I155-F188 HydrophobicContact CG2-CD1 4.16Å; I155-F188 HydrophobicContact CG2-CG 4.25Å; N156-F188 WeakPolarHBondContact O-CA 3.22Å; N156-F188 WeakPolarHBondContact O-CB 3.48Å; K157-F188 HydrophobicContact CB-CD1 4.01Å; K157-F188 HydrophobicContact CB-CE1 3.86Å; K157-F188 HydrophobicContact CD-CE1 4.46Å; K157-F188 HydrophobicContact CG-CD1 4.35Å; K157-F188 HydrophobicContact CG-CE1 3.96Å; F188-M249 HydrophobicContact CB-CE 3.66Å; F188-M249 HydrophobicContact CB-CG 4.22Å; F188-M249 HydrophobicContact CB-SD 3.93Å; F188-M249 HydrophobicContact CD2-CE 4.31Å; F188-M249 HydrophobicContact CD2-SD 4.32Å; F188-M249 HydrophobicContact CG-CE 4.19Å
189	F	78.5	Confident	65.9	Low	17 Å²	17	77 Å²	77	8%	0.075	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.1	160.7	69.1	-81.1	0	0	0	109.1	N156 I158 R191 F674	N156-F189 HydrophobicContact CB-CD1 3.97Å; N156-F189 HydrophobicContact CB-CD2 4.41Å; N156-F189 HydrophobicContact CB-CE1 3.31Å; N156-F189 HydrophobicContact CB-CE2 3.84Å; N156-F189 HydrophobicContact CB-CG 4.46Å; N156-F189 HydrophobicContact CB-CZ 3.23Å; N156-F189 PolarHBondContact N-O 2.97Å; N156-F189 PolarHBondContact O-N 3.29Å; I158-F189 HydrophobicContact CD1-CD1 4.45Å; I158-F189 HydrophobicContact CG1-CD1 3.82Å; I158-F189 HydrophobicContact CG1-CE1 4.47Å; F189-R191 HydrophobicContact CD2-CB 4.29Å; F189-R191 HydrophobicContact CE2-CB 4.02Å; F189-F674 AromaticContact CD1-CD1 3.67Å; F189-F674 HydrophobicContact CD1-CD1 3.67Å; F189-F674 HydrophobicContact CD1-CE1 4.14Å; F189-F674 HydrophobicContact CD1-CG 4.38Å; F189-F674 AromaticContact CE1-CD1 3.11Å; F189-F674 HydrophobicContact CE1-CD1 3.11Å; F189-F674 AromaticContact CE1-CE1 3.14Å; F189-F674 HydrophobicContact CE1-CE1 3.14Å; F189-F674 HydrophobicContact CE1-CG 4.11Å; F189-F674 HydrophobicContact CE1-CZ 4.13Å; F189-F674 HydrophobicContact CE2-CD1 4.08Å; F189-F674 HydrophobicContact CE2-CE1 4.22Å; F189-F674 HydrophobicContact CG-CD1 4.35Å; F189-F674 AromaticContact CZ-CD1 3.36Å; F189-F674 HydrophobicContact CZ-CD1 3.36Å; F189-F674 AromaticContact CZ-CE1 3.2Å; F189-F674 HydrophobicContact CZ-CE1 3.2Å; F189-F674 HydrophobicContact CZ-CZ 4.39Å
190	V	83.5	Confident	65.9	Low	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.9	176.2	-174.4	0	0	0	0	109.4	I150 W154 I155 M249 Y250	I150-V190 HydrophobicContact CG2-CG1 4.44Å; W154-V190 HydrophobicContact CB-CG1 4.17Å; W154-V190 CarbonylContact O-C 3.27Å; W154-V190 WeakPolarHBondContact O-CA 3.33Å; I155-V190 HydrophobicContact CG1-CG2 4.09Å; I155-V190 HydrophobicContact CG2-CG2 4.48Å; V190-M249 HydrophobicContact CG2-CE 3.69Å; V190-M249 HydrophobicContact CG2-CG 3.98Å; V190-M249 PolarHBondContact N-O 3.3Å; V190-Y250 HydrophobicContact CB-CD1 3.99Å; V190-Y250 HydrophobicContact CB-CE1 4.01Å; V190-Y250 HydrophobicContact CB-CG 4.45Å; V190-Y250 HydrophobicContact CG1-CD1 4.12Å; V190-Y250 HydrophobicContact CG1-CE1 3.86Å; V190-Y250 HydrophobicContact CG2-CD1 3.96Å; V190-Y250 HydrophobicContact CG2-CD2 4.15Å; V190-Y250 HydrophobicContact CG2-CE1 3.68Å; V190-Y250 HydrophobicContact CG2-CE2 3.9Å; V190-Y250 HydrophobicContact CG2-CG 4.2Å
191	R	78.4	Confident	66.2	Low	105 Å²	105	72.5 Å²	72.5	40%	0.396	39%	0.388	S	S	.	.			trans	-119.4	111.4	174.3	-178.3	177	179.4	161.9	1.7	108.3	W154 F189	W154-R191 WeakPolarHBondContact CA-O 3.49Å; W154-R191 WeakPolarHBondContact CB-O 3.37Å; W154-R191 PolarHBondContact O-N 3.33Å; F189-R191 HydrophobicContact CD2-CB 4.29Å; F189-R191 HydrophobicContact CE2-CB 4.02Å
192	P	75.5	Confident	67	Low	36 Å²	36	70.7 Å²	70.7	23%	0.234	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57.2	139.4	169.9	-22.3	33.7	0	0	0	110.4	W154 P204 C253	W154-P192 HydrophobicContact CE3-CB 4.23Å; W154-P192 HydrophobicContact CH2-CB 4.28Å; W154-P192 HydrophobicContact CZ3-CB 4.15Å; P192-P204 HydrophobicContact CG-CG 4.21Å; P192-C253 HydrophobicContact CG-CB 4.41Å
193	M	68.3	Low	68	Low	55 Å²	55	69.4 Å²	69.4	27%	0.271	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.4	146.7	169.4	-74.8	171.9	168.3	0	0	109.8	S153 A195	S153-M193 WeakPolarHBondContact OG-CE 3.43Å; M193-A195 PolarHBondContact O-N 2.96Å
194	E	64.6	Low	69.5	Low	163 Å²	163	66.5 Å²	66.5	76%	0.762	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-62.8	124.3	168.8	-69.7	176.2	-167.7	0	0	108
195	A	61.9	Low	71.2	Confident	61 Å²	61	59.6 Å²	59.6	50%	0.504	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.3	139.9	177.7	0	0	0	0	0	109.3	M193	M193-A195 PolarHBondContact O-N 2.96Å
196	E	64	Low	72.8	Confident	147 Å²	147	54.9 Å²	54.9	69%	0.687	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-59	145.1	171.1	-69.1	-178.7	-178	0	0	110.2	G198 T199	E196-G198 PolarHBondContact O-N 3.24Å; E196-T199 WeakPolarHBondContact O-CB 3.33Å; E196-T199 PolarHBondContact O-N 2.9Å; E196-T199 PolarHBondContact O-OG1 2.74Å
197	P	62.6	Low	74.1	Confident	137 Å²	137	51.5 Å²	51.5	89%	0.89	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	124.3	177	-25.1	33	0	0	0	111.4
198	G	60.3	Low	75.2	Confident	85 Å²	85	51 Å²	51	88%	0.876	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-6.5	-179	0	0	0	0	0	115.7	E196	E196-G198 PolarHBondContact O-N 3.24Å
199	T	62.7	Low	75.7	Confident	70 Å²	70	50.7 Å²	50.7	43%	0.429	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-81.3	133.7	172.4	-53.9	0	0	0	0	110	E196	E196-T199 WeakPolarHBondContact O-CB 3.33Å; E196-T199 PolarHBondContact O-N 2.9Å; E196-T199 PolarHBondContact O-OG1 2.74Å
200	P	58.3	Low	76.3	Confident	60 Å²	60	51.1 Å²	51.1	39%	0.39	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.9	146.3	175.4	24.1	-33.1	0	0	0	110.8	M202	P200-M202 PolarHBondContact O-N 3.1Å
201	P	62.7	Low	76.4	Confident	41 Å²	41	53.4 Å²	53.4	27%	0.266	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60.3	128	179.3	24.2	-32.5	0	0	0	110.2	F203 P578	P201-F203 HydrophobicContact CB-CZ 4.45Å; P201-F203 HydrophobicContact CG-CE2 4.3Å; P201-F203 HydrophobicContact CG-CZ 4.18Å; P201-F203 WeakPolarHBondContact O-CD2 3.09Å; P201-F203 WeakPolarHBondContact O-CE2 3.07Å; P201-P578 HydrophobicContact CG-CB 4.3Å
202	M	70.7	Confident	76.4	Confident	65 Å²	65	56.7 Å²	56.7	32%	0.32	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-77.6	145.2	171.8	-70.3	-176.4	67.4	0	0	110.7	W154 P200 P204	W154-M202 HydrophobicContact CH2-CB 3.87Å; W154-M202 HydrophobicContact CH2-CE 3.67Å; W154-M202 HydrophobicContact CH2-CG 4.43Å; W154-M202 HydrophobicContact CH2-SD 3.72Å; W154-M202 HydrophobicContact CZ2-CE 3.97Å; W154-M202 HydrophobicContact CZ2-SD 3.68Å; P200-M202 PolarHBondContact O-N 3.1Å; M202-P204 WeakPolarHBondContact O-CD 3.41Å
203	F	78.3	Confident	76.2	Confident	17 Å²	17	56 Å²	56	8%	0.075	32%	0.323	C	S	.	.			trans	-112.1	99.9	177.2	-63.3	-86.1	0	0	0	109.5	P201 L205 R256 R258 L573 W582	P201-F203 HydrophobicContact CB-CZ 4.45Å; P201-F203 HydrophobicContact CG-CE2 4.3Å; P201-F203 HydrophobicContact CG-CZ 4.18Å; P201-F203 WeakPolarHBondContact O-CD2 3.09Å; P201-F203 WeakPolarHBondContact O-CE2 3.07Å; F203-L205 PolarHBondContact O-N 2.82Å; F203-R256 WeakPolarHBondContact CD1-O 3.05Å; F203-R258 HydrophobicContact CB-CG 4.06Å; F203-L573 HydrophobicContact CD2-CD1 3.58Å; F203-L573 HydrophobicContact CD2-CD2 3.93Å; F203-L573 HydrophobicContact CD2-CG 4.38Å; F203-L573 HydrophobicContact CE1-CD2 4.2Å; F203-L573 HydrophobicContact CE2-CD1 3.44Å; F203-L573 VanDerWaalsContact CE2-CD1 3.44Å; F203-L573 HydrophobicContact CE2-CD2 3.06Å; F203-L573 HydrophobicContact CE2-CG 3.85Å; F203-L573 HydrophobicContact CZ-CD1 4.44Å; F203-L573 HydrophobicContact CZ-CD2 3.22Å; F203-L573 HydrophobicContact CZ-CG 4.43Å; F203-W582 HydrophobicContact CE1-CZ2 4.31Å
204	P	86.9	Confident	76.2	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.026	33%	0.326	C	S	.	.			trans	-59.2	129.4	179.2	-10.1	20	0	0	0	109.9	I150 W154 P192 M202 C253 L257 R258	I150-P204 HydrophobicContact CD1-CB 3.77Å; I150-P204 HydrophobicContact CG1-CB 4.15Å; W154-P204 HydrophobicContact CZ3-CB 4.12Å; W154-P204 HydrophobicContact CZ3-CG 3.89Å; P192-P204 HydrophobicContact CG-CG 4.21Å; M202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-C253 HydrophobicContact CB-CB 4.43Å; P204-C253 HydrophobicContact CG-CB 4.07Å; P204-L257 HydrophobicContact CB-CD1 4.3Å; P204-L257 VanDerWaalsContact O-CD1 3.32Å; P204-L257 WeakPolarHBondContact O-CD1 3.34Å; P204-R258 PolarHBondContact O-N 3.22Å
205	L	92.6	Very high	76.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.7	-179.2	-164.7	70.1	0	0	0	111.4	V148 F203 I207 Q233 R258 V260 L318 I321	V148-L205 HydrophobicContact CG1-CB 4.45Å; V148-L205 HydrophobicContact CG1-CD2 3.57Å; F203-L205 PolarHBondContact O-N 2.82Å; L205-I207 HydrophobicContact CD2-CD1 4.1Å; L205-I207 HydrophobicContact CD2-CG1 4.2Å; L205-I207 HydrophobicContact CG-CG1 4.17Å; L205-Q233 PolarHBondContact O-NE2 3.22Å; L205-R258 HydrophobicContact CD1-CB 3.64Å; L205-V260 HydrophobicContact CD1-CG2 3.64Å; L205-V260 HydrophobicContact CD2-CG2 3.84Å; L205-V260 HydrophobicContact CG-CG2 3.92Å; L205-L318 HydrophobicContact CD2-CD2 3.59Å; L205-I321 HydrophobicContact CD1-CG2 4.49Å
206	L	95.4	Very high	76.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	173.4	175	61	0	0	0	109.9	F208 F235 A246 L247 Y250 L257 R258 I259 V260	L206-F208 HydrophobicContact CD2-CE2 3.84Å; L206-F208 HydrophobicContact CD2-CZ 3.66Å; L206-F208 HydrophobicContact CG-CE2 4.06Å; L206-F208 HydrophobicContact CG-CZ 4.07Å; L206-F235 HydrophobicContact CD1-CD2 3.46Å; L206-F235 VanDerWaalsContact CD1-CD2 3.46Å; L206-F235 HydrophobicContact CD1-CE2 3.49Å; L206-F235 VanDerWaalsContact CD1-CE2 3.49Å; L206-A246 HydrophobicContact CD1-CB 4.12Å; L206-A246 HydrophobicContact CD2-CB 4.24Å; L206-L247 HydrophobicContact CD2-CD2 4.07Å; L206-Y250 HydrophobicContact CD1-CD2 3.88Å; L206-Y250 HydrophobicContact CD1-CE2 3.76Å; L206-Y250 HydrophobicContact CD2-CD2 4.17Å; L206-Y250 HydrophobicContact CD2-CG 4.28Å; L206-L257 HydrophobicContact CB-CD1 3.79Å; L206-L257 HydrophobicContact CD2-CD2 4.32Å; L206-R258 PolarHBondContact N-O 2.92Å; L206-I259 HydrophobicContact CB-CG1 4.4Å; L206-I259 CarbonylContact O-C 3.57Å; L206-I259 VanDerWaalsContact O-CA 3.25Å; L206-I259 WeakPolarHBondContact O-CA 3.43Å; L206-V260 PolarHBondContact O-N 2.91Å
207	I	96.2	Very high	77.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121	-171.3	-51.3	177.3	0	0	0	110	L205 V209 L225 V229 Q233 V234 F235 V260 L318	L205-I207 HydrophobicContact CD2-CD1 4.1Å; L205-I207 HydrophobicContact CD2-CG1 4.2Å; L205-I207 HydrophobicContact CG-CG1 4.17Å; I207-V209 HydrophobicContact CG2-CG2 4.17Å; I207-L225 HydrophobicContact CD1-CD2 3.82Å; I207-L225 HydrophobicContact CG2-CD1 3.75Å; I207-L225 HydrophobicContact CG2-CD2 4.48Å; I207-V229 HydrophobicContact CD1-CG2 4.19Å; I207-Q233 PolarHBondContact N-O 2.81Å; I207-V234 CarbonylContact O-C 3.59Å; I207-V234 WeakPolarHBondContact O-CA 3.21Å; I207-F235 PolarHBondContact O-N 2.92Å; I207-V260 CarbonylContact C-O 3.51Å; I207-V260 WeakPolarHBondContact CA-O 3.48Å; I207-V260 HydrophobicContact CG1-CB 4.23Å; I207-V260 HydrophobicContact CG1-CG2 4.39Å; I207-V260 HydrophobicContact CG2-CB 4.19Å; I207-L318 HydrophobicContact CD1-CD2 4.01Å
208	F	95.8	Very high	78.6	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.9	174.3	-68.5	-64	0	0	0	110.7	L206 F235 L237 P243 A246 L247 I259 V260 V261 C262 V271	L206-F208 HydrophobicContact CD2-CE2 3.84Å; L206-F208 HydrophobicContact CD2-CZ 3.66Å; L206-F208 HydrophobicContact CG-CE2 4.06Å; L206-F208 HydrophobicContact CG-CZ 4.07Å; F208-F235 WeakPolarHBondContact CA-O 3.41Å; F208-F235 HydrophobicContact CD1-CB 3.77Å; F208-F235 HydrophobicContact CE1-CB 3.97Å; F208-F235 HydrophobicContact CE1-CG 4.42Å; F208-L237 HydrophobicContact CB-CD1 4.02Å; F208-L237 HydrophobicContact CB-CD2 4.29Å; F208-L237 HydrophobicContact CB-CG 4.15Å; F208-L237 HydrophobicContact CD1-CD2 3.48Å; F208-L237 VanDerWaalsContact CD1-CD2 3.48Å; F208-L237 HydrophobicContact CD1-CG 4.21Å; F208-L237 HydrophobicContact CE1-CD2 4.1Å; F208-L237 HydrophobicContact CG-CD2 4.15Å; F208-P243 HydrophobicContact CD1-CB 4.42Å; F208-P243 HydrophobicContact CE1-CB 3.9Å; F208-P243 HydrophobicContact CE2-CB 4.37Å; F208-P243 HydrophobicContact CZ-CB 3.86Å; F208-A246 HydrophobicContact CE1-CB 3.57Å; F208-A246 HydrophobicContact CZ-CB 3.81Å; F208-L247 HydrophobicContact CE2-CD2 4.17Å; F208-L247 HydrophobicContact CZ-CD2 4.17Å; F208-L247 HydrophobicContact CZ-CG 4.11Å; F208-I259 HydrophobicContact CD2-CG2 3.64Å; F208-I259 HydrophobicContact CE2-CD1 4.27Å; F208-I259 HydrophobicContact CE2-CG2 3.9Å; F208-V260 PolarHBondContact N-O 3.25Å; F208-V261 HydrophobicContact CD2-CG2 4.49Å; F208-C262 WeakPolarHBondContact O-CB 3.46Å; F208-C262 PolarHBondContact O-N 3.1Å; F208-V271 HydrophobicContact CD2-CG1 4.46Å; F208-V271 HydrophobicContact CD2-CG2 3.85Å; F208-V271 HydrophobicContact CE2-CG1 4.24Å; F208-V271 HydrophobicContact CE2-CG2 4.22Å; F208-V271 HydrophobicContact CG-CG2 4.39Å
209	V	93.4	Very high	79.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.4	179.5	-170	0	0	0	0	110.5	I207 I211 G218 F222 L225 V234 F235 E236 L237 C262	I207-V209 HydrophobicContact CG2-CG2 4.17Å; V209-I211 HydrophobicContact CG1-CG2 4.18Å; V209-I211 PolarHBondContact O-N 3.37Å; V209-G218 WeakPolarHBondContact CG1-O 3.29Å; V209-F222 HydrophobicContact CB-CD2 4.27Å; V209-F222 HydrophobicContact CG1-CB 4.15Å; V209-F222 HydrophobicContact CG2-CD2 4.29Å; V209-L225 HydrophobicContact CG2-CD1 3.63Å; V209-V234 HydrophobicContact CG2-CG1 3.89Å; V209-F235 PolarHBondContact N-O 2.78Å; V209-E236 WeakPolarHBondContact O-CA 3.37Å; V209-L237 PolarHBondContact O-N 2.84Å; V209-C262 HydrophobicContact CB-CB 4.41Å; V209-C262 HydrophobicContact CG1-CB 4.21Å; V209-C262 HydrophobicContact CG2-CB 4.22Å
210	N	90.3	Very high	81.1	Confident	26 Å²	26	47.6 Å²	47.6	14%	0.139	25%	0.249	C	C	.	.			trans	-91	91.2	170.4	-172.9	-9.1	0	0	0	110.3	K212 S213 C262 T267	N210-K212 PolarHBondContact O-N 2.91Å; N210-K212 VanDerWaalsContact O-N 3.16Å; N210-K212 PolarHBondContact OD1-N 2.84Å; N210-S213 PolarHBondContact ND2-OG 2.87Å; N210-S213 WeakPolarHBondContact O-CB 3.35Å; N210-S213 PolarHBondContact O-N 2.79Å; N210-C262 PolarHBondContact N-O 2.99Å; N210-T267 HydrophobicContact CB-CG2 3.95Å; N210-T267 PolarHBondContact ND2-OG1 3.22Å
211	I	85.3	Confident	82.7	Confident	48 Å²	48	44.9 Å²	44.9	25%	0.246	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-176.1	62.3	161.4	0	0	0	114.6	V209 S213 F222 E236	V209-I211 HydrophobicContact CG1-CG2 4.18Å; V209-I211 PolarHBondContact O-N 3.37Å; I211-S213 PolarHBondContact O-N 3.16Å; I211-F222 HydrophobicContact CG2-CB 4.35Å; I211-E236 HydrophobicContact CB-CG 4.45Å; I211-E236 HydrophobicContact CD1-CG 3.99Å; I211-E236 WeakPolarHBondContact CD1-OE1 3.48Å; I211-E236 HydrophobicContact CG1-CG 3.96Å; I211-E236 HydrophobicContact CG2-CG 3.67Å
212	K	79.5	Confident	84.1	Confident	173 Å²	173	43.1 Å²	43.1	75%	0.752	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.3	176.2	-69.3	179.3	-177.1	179	0	111.8	N210 S238	N210-K212 PolarHBondContact O-N 2.91Å; N210-K212 VanDerWaalsContact O-N 3.16Å; N210-K212 PolarHBondContact OD1-N 2.84Å; K212-S238 WeakPolarHBondContact CD-OG 3.1Å; K212-S238 WeakPolarHBondContact CG-OG 3.15Å
213	S	71.3	Confident	85	Confident	21 Å²	21	42.3 Å²	42.3	15%	0.147	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	147.9	176.3	-66.4	0	0	0	0	111.3	N210 I211 G215	N210-S213 PolarHBondContact ND2-OG 2.87Å; N210-S213 WeakPolarHBondContact O-CB 3.35Å; N210-S213 PolarHBondContact O-N 2.79Å; I211-S213 PolarHBondContact O-N 3.16Å; S213-G215 PolarHBondContact O-N 2.74Å
214	G	67.7	Low	85.8	Confident	32 Å²	32	44.3 Å²	44.3	33%	0.33	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	17.9	168.2	0	0	0	0	0	116.9	K217 L293	G214-K217 WeakPolarHBondContact O-CB 3.46Å; G214-K217 WeakPolarHBondContact O-CG 3.36Å; G214-K217 PolarHBondContact O-N 2.73Å; G214-L293 WeakPolarHBondContact CA-O 3.44Å; G214-L293 PolarHBondContact N-O 3.04Å
215	G	68.7	Low	86.1	Confident	51 Å²	51	44.1 Å²	44.1	53%	0.526	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	56.4	170.1	0	0	0	0	0	114.2	S213 K217	S213-G215 PolarHBondContact O-N 2.74Å; G215-K217 VanDerWaalsContact C-N 3.3Å; G215-K217 PolarHBondContact O-N 2.88Å
216	K	69.3	Low	86.2	Confident	181 Å²	181	44 Å²	44	79%	0.787	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-12.5	-175.5	-52.7	-178.9	177.7	-178.3	0	116.5	G218 K219	K216-G218 PolarHBondContact O-N 3.16Å; K216-K219 PolarHBondContact O-N 2.73Å; K216-K219 VanDerWaalsContact O-N 3.13Å
217	K	80.4	Confident	86.2	Confident	68 Å²	68	45.9 Å²	45.9	30%	0.296	23%	0.23	S	C	.	.	H	α-helix	trans	-56.1	-37.3	174	-70.9	-172.1	175.5	-138.5	0	112.7	G214 G215 K219 K220 L221 L293 Y309 D311	G214-K217 WeakPolarHBondContact O-CB 3.46Å; G214-K217 WeakPolarHBondContact O-CG 3.36Å; G214-K217 PolarHBondContact O-N 2.73Å; G215-K217 VanDerWaalsContact C-N 3.3Å; G215-K217 PolarHBondContact O-N 2.88Å; K217-K219 VanDerWaalsContact C-N 3.3Å; K217-K219 PolarHBondContact O-N 3.35Å; K217-K220 PolarHBondContact O-N 3.01Å; K217-L221 WeakPolarHBondContact O-CB 3.18Å; K217-L221 PolarHBondContact O-N 3.08Å; K217-L293 HydrophobicContact CB-CD2 4.27Å; K217-Y309 PolarHBondContact NZ-O 2.91Å; K217-D311 WeakPolarHBondContact CE-OD2 3.26Å; K217-D311 IonicContact NZ-OD1 3.71Å; K217-D311 IonicContact NZ-OD2 2.73Å; K217-D311 PolarHBondContact NZ-OD2 3.37Å
218	G	85.6	Confident	86.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-32	178.4	0	0	0	0	0	114.3	V209 K216 F222	V209-G218 WeakPolarHBondContact CG1-O 3.29Å; K216-G218 PolarHBondContact O-N 3.16Å; G218-F222 WeakPolarHBondContact O-CB 3.12Å; G218-F222 PolarHBondContact O-N 2.71Å
219	K	86.9	Confident	86.1	Confident	88 Å²	88	46.7 Å²	46.7	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-68.6	-50.8	176.7	-167.7	-167.7	177.3	-164.9	0	111.1	D16 K216 K217 L221 F222 E223	D16-K219 IonicContact OD1-NZ 3.08Å; D16-K219 PolarHBondContact OD1-NZ 3.25Å; D16-K219 WeakPolarHBondContact OD2-CE 3.45Å; D16-K219 IonicContact OD2-NZ 2.74Å; D16-K219 PolarHBondContact OD2-NZ 2.67Å; K216-K219 PolarHBondContact O-N 2.73Å; K216-K219 VanDerWaalsContact O-N 3.13Å; K217-K219 VanDerWaalsContact C-N 3.3Å; K217-K219 PolarHBondContact O-N 3.35Å; K219-L221 VanDerWaalsContact C-N 3.29Å; K219-L221 PolarHBondContact O-N 3Å; K219-F222 WeakPolarHBondContact O-CB 3.48Å; K219-F222 PolarHBondContact O-N 3Å; K219-F222 VanDerWaalsContact O-N 3.16Å; K219-E223 WeakPolarHBondContact CE-OE1 3.28Å; K219-E223 WeakPolarHBondContact CG-OE1 3.29Å; K219-E223 IonicContact NZ-OE1 3.87Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.67Å
220	K	87.7	Confident	86.2	Confident	123 Å²	123	46.7 Å²	46.7	54%	0.535	23%	0.234	S	C	.	.	H	α-helix	trans	-56.8	-44.9	176.4	-177	-173.8	172.8	-166.6	0	111	K217 F222 E223 E224	K217-K220 PolarHBondContact O-N 3.01Å; K220-F222 PolarHBondContact O-N 2.68Å; K220-E223 PolarHBondContact O-N 2.78Å; K220-E224 PolarHBondContact O-N 3.2Å
221	L	91.6	Very high	86.3	Confident	3 Å²	3	46 Å²	46	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-43.8	177.6	-173.5	67.5	0	0	0	112.1	K217 K219 E223 E224 L225 C262 V291 L293 Y309 I314	K217-L221 WeakPolarHBondContact O-CB 3.18Å; K217-L221 PolarHBondContact O-N 3.08Å; K219-L221 VanDerWaalsContact C-N 3.29Å; K219-L221 PolarHBondContact O-N 3Å; L221-E223 PolarHBondContact O-N 2.71Å; L221-E224 PolarHBondContact O-N 2.87Å; L221-L225 HydrophobicContact CD2-CD1 4.46Å; L221-L225 HydrophobicContact CG-CD1 3.93Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 VanDerWaalsContact O-CG 3.23Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.81Å; L221-C262 HydrophobicContact CD2-CB 3.71Å; L221-V291 HydrophobicContact CD2-CG1 4.25Å; L221-L293 HydrophobicContact CD2-CD1 3.79Å; L221-L293 HydrophobicContact CD2-CD2 4.3Å; L221-L293 HydrophobicContact CD2-CG 4.33Å; L221-Y309 HydrophobicContact CD1-CE1 4.13Å; L221-I314 HydrophobicContact CD1-CB 3.88Å; L221-I314 HydrophobicContact CD1-CD1 3.76Å; L221-I314 HydrophobicContact CD1-CG1 3.63Å; L221-I314 HydrophobicContact CD1-CG2 4.48Å
222	F	91.9	Very high	86.5	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-45.7	176.6	175.7	-87.4	0	0	0	112.1	M1 V209 I211 G218 K219 K220 L225 C226 V234 E236	M1-F222 HydrophobicContact CE-CD1 3.79Å; M1-F222 HydrophobicContact CE-CE1 3.21Å; M1-F222 HydrophobicContact CE-CZ 4.03Å; M1-F222 HydrophobicContact SD-CE1 3.6Å; M1-F222 HydrophobicContact SD-CZ 4.14Å; V209-F222 HydrophobicContact CB-CD2 4.27Å; V209-F222 HydrophobicContact CG1-CB 4.15Å; V209-F222 HydrophobicContact CG2-CD2 4.29Å; I211-F222 HydrophobicContact CG2-CB 4.35Å; G218-F222 WeakPolarHBondContact O-CB 3.12Å; G218-F222 PolarHBondContact O-N 2.71Å; K219-F222 WeakPolarHBondContact O-CB 3.48Å; K219-F222 PolarHBondContact O-N 3Å; K219-F222 VanDerWaalsContact O-N 3.16Å; K220-F222 PolarHBondContact O-N 2.68Å; F222-L225 PolarHBondContact O-N 2.82Å; F222-C226 WeakPolarHBondContact CE1-SG 3.03Å; F222-C226 VanDerWaalsContact CZ-SG 3.51Å; F222-C226 PolarHBondContact O-N 2.86Å; F222-C226 PolarHBondContact O-SG 2.96Å; F222-V234 HydrophobicContact CD2-CG1 3.61Å; F222-V234 HydrophobicContact CE2-CB 4.3Å; F222-V234 HydrophobicContact CE2-CG1 3.68Å; F222-E236 HydrophobicContact CD2-CB 4.1Å; F222-E236 HydrophobicContact CE2-CB 3.84Å; F222-E236 HydrophobicContact CZ-CB 4.5Å
223	E	90.9	Very high	87.1	Confident	48 Å²	48	36.5 Å²	36.5	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-44.9	177.8	-68.6	166.1	-148.6	0	0	111.5	D16 K219 K220 L221 C226 W227	D16-E223 VanDerWaalsContact OD2-OE1 3.09Å; K219-E223 WeakPolarHBondContact CE-OE1 3.28Å; K219-E223 WeakPolarHBondContact CG-OE1 3.29Å; K219-E223 IonicContact NZ-OE1 3.87Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 2.67Å; K220-E223 PolarHBondContact O-N 2.78Å; L221-E223 PolarHBondContact O-N 2.71Å; E223-C226 PolarHBondContact O-N 3.22Å; E223-W227 PolarHBondContact O-N 3.23Å; E223-W227 VanDerWaalsContact O-N 3.13Å
224	E	93.3	Very high	88.2	Confident	59 Å²	59	35.5 Å²	35.5	28%	0.276	18%	0.18	S	C	.	.	H	α-helix	trans	-64.5	-41.6	178.6	-168.5	174.6	-179.5	0	0	112.1	K220 L221 W227 L228 I314	K220-E224 PolarHBondContact O-N 3.2Å; L221-E224 PolarHBondContact O-N 2.87Å; E224-W227 WeakPolarHBondContact O-CB 3.3Å; E224-W227 PolarHBondContact O-N 3.35Å; E224-L228 HydrophobicContact CG-CD1 4.03Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.36Å; E224-L228 PolarHBondContact O-N 3.34Å; E224-I314 HydrophobicContact CB-CG2 4.36Å; E224-I314 HydrophobicContact CG-CG2 3.61Å; E224-I314 WeakPolarHBondContact OE1-CG2 3.35Å
225	L	95.3	Very high	89.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-44	174.1	-73.9	167.2	0	0	0	111.7	I207 V209 L221 F222 W227 L228 V229 V234 I314 L318	I207-L225 HydrophobicContact CD1-CD2 3.82Å; I207-L225 HydrophobicContact CG2-CD1 3.75Å; I207-L225 HydrophobicContact CG2-CD2 4.48Å; V209-L225 HydrophobicContact CG2-CD1 3.63Å; L221-L225 HydrophobicContact CD2-CD1 4.46Å; L221-L225 HydrophobicContact CG-CD1 3.93Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 VanDerWaalsContact O-CG 3.23Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.81Å; F222-L225 PolarHBondContact O-N 2.82Å; L225-W227 PolarHBondContact O-N 3.14Å; L225-L228 PolarHBondContact O-N 2.98Å; L225-V229 WeakPolarHBondContact O-CG2 3.48Å; L225-V229 PolarHBondContact O-N 3.24Å; L225-V234 HydrophobicContact CB-CG1 3.9Å; L225-V234 HydrophobicContact CB-CG2 3.86Å; L225-V234 HydrophobicContact CD1-CG1 4.16Å; L225-I314 HydrophobicContact CD2-CD1 4.39Å; L225-I314 HydrophobicContact CD2-CG1 3.62Å; L225-I314 HydrophobicContact CG-CG1 4.19Å; L225-L318 HydrophobicContact CD2-CD1 4.05Å
226	C	94.6	Very high	90.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-32.2	176.3	-70.6	0	0	0	0	112.9	L14 C41 K63 F222 E223 V229 P231	L14-C226 HydrophobicContact CD2-CB 4.44Å; C41-C226 HydrophobicContact CB-CB 3.86Å; C41-C226 CarbonylContact O-C 3.54Å; K63-C226 PolarHBondContact NZ-O 2.96Å; F222-C226 WeakPolarHBondContact CE1-SG 3.03Å; F222-C226 VanDerWaalsContact CZ-SG 3.51Å; F222-C226 PolarHBondContact O-N 2.86Å; F222-C226 PolarHBondContact O-SG 2.96Å; E223-C226 PolarHBondContact O-N 3.22Å; C226-V229 VanDerWaalsContact O-O 3.09Å; C226-P231 HydrophobicContact CB-CB 4.43Å; C226-P231 HydrophobicContact CB-CG 4.43Å
227	W	94.7	Very high	91.4	Very high	39 Å²	39	25 Å²	25	15%	0.148	11%	0.111	C	C	.	.	H	α-helix	trans	-71	-47.4	174.2	164.2	-116.3	0	0	0	111.9	C41 H44 K63 R89 K121 E223 E224 L225	C41-W227 VanDerWaalsContact O-CA 3.32Å; C41-W227 WeakPolarHBondContact O-CA 3.49Å; C41-W227 WeakPolarHBondContact O-CB 3.29Å; C41-W227 PolarHBondContact O-N 3.18Å; C41-W227 VanDerWaalsContact O-N 3.15Å; H44-W227 AromaticContact CE1-CD1 3.65Å; H44-W227 AromaticContact CE1-CD2 3.39Å; H44-W227 AromaticContact CE1-CE2 3.81Å; H44-W227 AromaticContact CE1-CE3 3.91Å; H44-W227 AromaticContact CE1-CG 3.29Å; H44-W227 AromaticContact CE1-NE1 3.92Å; H44-W227 AromaticContact CG-CE3 3.88Å; H44-W227 AromaticContact ND1-CD2 3.6Å; H44-W227 AromaticContact ND1-CE2 3.86Å; H44-W227 AromaticContact ND1-CE3 3.76Å; H44-W227 WeakPolarHBondContact NE2-CB 3.43Å; H44-W227 AromaticContact NE2-CD2 3.87Å; H44-W227 AromaticContact NE2-CG 3.57Å; K63-W227 PolarHBondContact NZ-O 3.44Å; K63-W227 VanDerWaalsContact NZ-O 3.07Å; R89-W227 VanDerWaalsContact NH2-CH2 3.27Å; K121-W227 HydrophobicContact CD-CH2 4Å; K121-W227 HydrophobicContact CD-CZ2 3.44Å; K121-W227 VanDerWaalsContact CD-CZ2 3.44Å; K121-W227 VanDerWaalsContact CE-CE2 3.44Å; K121-W227 PolarHBondContact NZ-O 3.38Å; K121-W227 VanDerWaalsContact NZ-O 3.15Å; E223-W227 PolarHBondContact O-N 3.23Å; E223-W227 VanDerWaalsContact O-N 3.13Å; E224-W227 WeakPolarHBondContact O-CB 3.3Å; E224-W227 PolarHBondContact O-N 3.35Å; L225-W227 PolarHBondContact O-N 3.14Å
228	L	95.4	Very high	91.3	Very high	16 Å²	16	23.5 Å²	23.5	8%	0.084	11%	0.11	C	C	.	.	H	α-helix	trans	-71.9	-48.3	-173.8	-70	172.6	0	0	0	112.6	K121 L145 E224 L225 I314 A315	K121-L228 PolarHBondContact NZ-O 3.03Å; L145-L228 HydrophobicContact CD1-CB 3.95Å; L145-L228 HydrophobicContact CD1-CD2 4.03Å; L145-L228 HydrophobicContact CD1-CG 4.42Å; E224-L228 HydrophobicContact CG-CD1 4.03Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.36Å; E224-L228 PolarHBondContact O-N 3.34Å; L225-L228 PolarHBondContact O-N 2.98Å; L228-I314 HydrophobicContact CD1-CG2 3.25Å; L228-A315 HydrophobicContact CD1-CB 4.06Å; L228-A315 HydrophobicContact CD2-CB 4.35Å
229	V	95	Very high	90.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-109.6	-176.1	-176.1	-57.1	0	0	0	0	112.4	K63 V148 I149 I207 L225 C226 P231 Q233 V234 L318	K63-V229 PolarHBondContact NZ-O 2.8Å; V148-V229 HydrophobicContact CG1-CG1 3.69Å; I149-V229 HydrophobicContact CG1-CG1 4.32Å; I207-V229 HydrophobicContact CD1-CG2 4.19Å; L225-V229 WeakPolarHBondContact O-CG2 3.48Å; L225-V229 PolarHBondContact O-N 3.24Å; C226-V229 VanDerWaalsContact O-O 3.09Å; V229-P231 WeakPolarHBondContact O-CD 3.41Å; V229-Q233 HydrophobicContact CG2-CB 4.31Å; V229-V234 HydrophobicContact CG2-CG2 3.54Å; V229-L318 HydrophobicContact CG1-CD1 4.24Å
230	N	94	Very high	89.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.			trans	-69.6	124	171.9	-175.6	-26.7	0	0	0	108.3	T65 W119 I150 R232 Q233	T65-N230 PolarHBondContact O-ND2 2.81Å; T65-N230 PolarHBondContact O-OD1 2.86Å; W119-N230 HydrophobicContact CH2-CB 3.8Å; W119-N230 HydrophobicContact CZ3-CB 3.93Å; I150-N230 VanDerWaalsContact O-CB 3.31Å; I150-N230 WeakPolarHBondContact O-CB 3.16Å; I150-N230 PolarHBondContact O-ND2 2.95Å; N230-R232 PolarHBondContact O-N 3.11Å; N230-R232 PolarHBondContact OD1-N 2.91Å; N230-R232 VanDerWaalsContact OD1-N 3.11Å; N230-Q233 HydrophobicContact CB-CG 4.07Å; N230-Q233 VanDerWaalsContact CB-OE1 3.23Å; N230-Q233 VanDerWaalsContact O-CB 3.25Å; N230-Q233 WeakPolarHBondContact O-CB 3.3Å; N230-Q233 PolarHBondContact O-N 3.06Å
231	P	93	Very high	89.1	Confident	11 Å²	11	22.4 Å²	22.4	7%	0.071	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-53.5	-25.8	-179	-27.5	33.3	0	0	0	114.3	L14 A42 T65 C226 V229 Q233 V234	L14-P231 HydrophobicContact CD2-CB 4.33Å; A42-P231 HydrophobicContact CB-CG 3.63Å; T65-P231 HydrophobicContact CG2-CB 4.46Å; T65-P231 HydrophobicContact CG2-CG 4.01Å; C226-P231 HydrophobicContact CB-CB 4.43Å; C226-P231 HydrophobicContact CB-CG 4.43Å; V229-P231 WeakPolarHBondContact O-CD 3.41Å; P231-Q233 PolarHBondContact O-N 3Å; P231-V234 PolarHBondContact O-N 2.85Å; P231-V234 VanDerWaalsContact O-N 3.13Å
232	R	90.1	Very high	88.8	Confident	22 Å²	22	23 Å²	23	8%	0.083	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-76.5	-3.6	176.4	-66.3	-171.5	-175.1	-76.9	1.1	114.6	C8 T65 Y66 I155 N230 F235 M249 Y250	C8-R232 PolarHBondContact SG-NH2 2.9Å; T65-R232 PolarHBondContact OG1-NE 3.48Å; Y66-R232 VanDerWaalsContact CD1-NE 3.27Å; Y66-R232 VanDerWaalsContact CD1-NH2 3.29Å; I155-R232 HydrophobicContact CD1-CB 3.57Å; N230-R232 PolarHBondContact O-N 3.11Å; N230-R232 PolarHBondContact OD1-N 2.91Å; N230-R232 VanDerWaalsContact OD1-N 3.11Å; R232-F235 WeakPolarHBondContact O-CE2 3.36Å; R232-F235 WeakPolarHBondContact O-CZ 3.36Å; R232-M249 HydrophobicContact CB-CE 4.42Å; R232-Y250 PolarHBondContact O-OH 2.86Å
233	Q	92.7	Very high	88.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-87.6	-12.4	166.7	-61.7	175.7	-97.1	0	0	112.3	V148 I150 L205 I207 V229 N230 P231	V148-Q233 PolarHBondContact O-NE2 3.37Å; I150-Q233 HydrophobicContact CB-CG 3.76Å; I150-Q233 HydrophobicContact CD1-CG 3.59Å; I150-Q233 HydrophobicContact CG1-CG 4.02Å; I150-Q233 VanDerWaalsContact N-CD 3.27Å; L205-Q233 PolarHBondContact O-NE2 3.22Å; I207-Q233 PolarHBondContact N-O 2.81Å; V229-Q233 HydrophobicContact CG2-CB 4.31Å; N230-Q233 HydrophobicContact CB-CG 4.07Å; N230-Q233 VanDerWaalsContact CB-OE1 3.23Å; N230-Q233 VanDerWaalsContact O-CB 3.25Å; N230-Q233 WeakPolarHBondContact O-CB 3.3Å; N230-Q233 PolarHBondContact O-N 3.06Å; P231-Q233 PolarHBondContact O-N 3Å
234	V	94.2	Very high	88.7	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.8	-170	-167.6	0	0	0	0	109.8	F2 I207 V209 F222 L225 V229 P231	F2-V234 WeakPolarHBondContact CZ-O 3.46Å; I207-V234 CarbonylContact O-C 3.59Å; I207-V234 WeakPolarHBondContact O-CA 3.21Å; V209-V234 HydrophobicContact CG2-CG1 3.89Å; F222-V234 HydrophobicContact CD2-CG1 3.61Å; F222-V234 HydrophobicContact CE2-CB 4.3Å; F222-V234 HydrophobicContact CE2-CG1 3.68Å; L225-V234 HydrophobicContact CB-CG1 3.9Å; L225-V234 HydrophobicContact CB-CG2 3.86Å; L225-V234 HydrophobicContact CD1-CG1 4.16Å; V229-V234 HydrophobicContact CG2-CG2 3.54Å; P231-V234 PolarHBondContact O-N 2.85Å; P231-V234 VanDerWaalsContact O-N 3.13Å
235	F	92.8	Very high	88.4	Confident	11 Å²	11	24.4 Å²	24.4	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.1	-176.3	-71.7	-94.8	0	0	0	111.5	F2 L206 I207 F208 V209 R232 L237 F245 A246 M249 Y250	F2-F235 HydrophobicContact CE2-CD1 4.33Å; F2-F235 HydrophobicContact CZ-CD1 4.34Å; L206-F235 HydrophobicContact CD1-CD2 3.46Å; L206-F235 VanDerWaalsContact CD1-CD2 3.46Å; L206-F235 HydrophobicContact CD1-CE2 3.49Å; L206-F235 VanDerWaalsContact CD1-CE2 3.49Å; I207-F235 PolarHBondContact O-N 2.92Å; F208-F235 WeakPolarHBondContact CA-O 3.41Å; F208-F235 HydrophobicContact CD1-CB 3.77Å; F208-F235 HydrophobicContact CE1-CB 3.97Å; F208-F235 HydrophobicContact CE1-CG 4.42Å; V209-F235 PolarHBondContact N-O 2.78Å; R232-F235 WeakPolarHBondContact O-CE2 3.36Å; R232-F235 WeakPolarHBondContact O-CZ 3.36Å; F235-L237 PolarHBondContact O-N 2.85Å; F235-F245 HydrophobicContact CD1-CD1 4.4Å; F235-F245 AromaticContact CE1-CD1 3.88Å; F235-F245 HydrophobicContact CE1-CD1 3.88Å; F235-F245 AromaticContact CE1-CE1 3.93Å; F235-F245 HydrophobicContact CE1-CE1 3.93Å; F235-A246 HydrophobicContact CB-CB 4.39Å; F235-A246 HydrophobicContact CD1-CB 3.64Å; F235-A246 HydrophobicContact CD2-CB 3.57Å; F235-A246 HydrophobicContact CE1-CB 3.65Å; F235-A246 HydrophobicContact CE2-CB 3.58Å; F235-A246 HydrophobicContact CG-CB 3.58Å; F235-A246 HydrophobicContact CZ-CB 3.61Å; F235-M249 HydrophobicContact CZ-SD 3.93Å; F235-Y250 AromaticContact CE2-CE2 3.99Å; F235-Y250 HydrophobicContact CE2-CE2 3.99Å; F235-Y250 HydrophobicContact CZ-CE2 4.41Å
236	E	90.5	Very high	88.2	Confident	27 Å²	27	24.3 Å²	24.3	13%	0.126	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.4	173	-172.6	-133.8	140.7	0	0	110	V209 I211 F222 S238 C239	V209-E236 WeakPolarHBondContact O-CA 3.37Å; I211-E236 HydrophobicContact CB-CG 4.45Å; I211-E236 HydrophobicContact CD1-CG 3.99Å; I211-E236 WeakPolarHBondContact CD1-OE1 3.48Å; I211-E236 HydrophobicContact CG1-CG 3.96Å; I211-E236 HydrophobicContact CG2-CG 3.67Å; F222-E236 HydrophobicContact CD2-CB 4.1Å; F222-E236 HydrophobicContact CE2-CB 3.84Å; F222-E236 HydrophobicContact CZ-CB 4.5Å; E236-S238 VanDerWaalsContact C-N 3.29Å; E236-S238 PolarHBondContact O-N 3.21Å; E236-S238 WeakPolarHBondContact OE1-CB 3.25Å; E236-C239 PolarHBondContact O-SG 2.75Å
237	L	89	Confident	88	Confident	5 Å²	5	24.5 Å²	24.5	3%	0.026	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-73.7	-16.1	-171.4	-68.4	-178.2	0	0	0	114.9	F208 V209 F235 C239 P243 T267 W270	F208-L237 HydrophobicContact CB-CD1 4.02Å; F208-L237 HydrophobicContact CB-CD2 4.29Å; F208-L237 HydrophobicContact CB-CG 4.15Å; F208-L237 HydrophobicContact CD1-CD2 3.48Å; F208-L237 VanDerWaalsContact CD1-CD2 3.48Å; F208-L237 HydrophobicContact CD1-CG 4.21Å; F208-L237 HydrophobicContact CE1-CD2 4.1Å; F208-L237 HydrophobicContact CG-CD2 4.15Å; V209-L237 PolarHBondContact O-N 2.84Å; F235-L237 PolarHBondContact O-N 2.85Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 2.99Å; L237-P243 HydrophobicContact CD1-CG 4.44Å; L237-P243 HydrophobicContact CD2-CB 4.15Å; L237-P243 HydrophobicContact CD2-CG 3.65Å; L237-T267 HydrophobicContact CD1-CG2 3.47Å; L237-T267 VanDerWaalsContact CD1-CG2 3.47Å; L237-W270 HydrophobicContact CB-CH2 4.32Å; L237-W270 HydrophobicContact CB-CZ3 3.79Å; L237-W270 HydrophobicContact CD1-CE3 4.11Å; L237-W270 HydrophobicContact CD1-CZ3 4.17Å; L237-W270 HydrophobicContact CG-CZ3 4.45Å
238	S	77.9	Confident	87.5	Confident	38 Å²	38	24 Å²	24	27%	0.266	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-81.3	-7.9	-177.7	-69.2	0	0	0	0	114.2	K212 E236 G240	K212-S238 WeakPolarHBondContact CD-OG 3.1Å; K212-S238 WeakPolarHBondContact CG-OG 3.15Å; E236-S238 VanDerWaalsContact C-N 3.29Å; E236-S238 PolarHBondContact O-N 3.21Å; E236-S238 WeakPolarHBondContact OE1-CB 3.25Å; S238-G240 VanDerWaalsContact C-N 3.32Å; S238-G240 PolarHBondContact O-N 2.93Å
239	C	71.2	Confident	87	Confident	40 Å²	40	23.7 Å²	23.7	27%	0.27	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-86.3	13.7	-174	74	0	0	0	0	115.6	E236 L237	E236-C239 PolarHBondContact O-SG 2.75Å; L237-C239 VanDerWaalsContact C-N 3.32Å; L237-C239 PolarHBondContact O-N 2.99Å
240	G	66.6	Low	86.7	Confident	74 Å²	74	23.7 Å²	23.7	76%	0.763	14%	0.137	S	C	*	.	S	Bend	trans	96.4	-21.8	166	0	0	0	0	0	117.2	S238	S238-G240 VanDerWaalsContact C-N 3.32Å; S238-G240 PolarHBondContact O-N 2.93Å
241	K	75.9	Confident	86.2	Confident	73 Å²	73	25 Å²	25	32%	0.317	14%	0.142	S	C	.	.	S	Bend	trans	-82.1	-14.7	179	-66.5	-167.3	175	-164.9	0	114.8	F245	K241-F245 HydrophobicContact CB-CB 3.87Å; K241-F245 HydrophobicContact CB-CD1 4.45Å; K241-F245 HydrophobicContact CB-CG 4.12Å; K241-F245 HydrophobicContact CD-CB 4.48Å; K241-F245 HydrophobicContact CD-CD1 3.96Å; K241-F245 HydrophobicContact CD-CD2 3.88Å; K241-F245 HydrophobicContact CD-CE1 4.14Å; K241-F245 HydrophobicContact CD-CE2 4.06Å; K241-F245 HydrophobicContact CD-CG 3.83Å; K241-F245 HydrophobicContact CD-CZ 4.19Å
242	G	85.1	Confident	85.5	Confident	15 Å²	15	26.8 Å²	26.8	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	61.8	-178.3	-177.5	0	0	0	0	0	114.5	R244	G242-R244 PolarHBondContact O-N 2.94Å
243	P	92.7	Very high	85.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-34.3	179.6	-17.9	27.4	0	0	0	113.8	F208 L237 F245 A246 L247 W270 V271 C274	F208-P243 HydrophobicContact CD1-CB 4.42Å; F208-P243 HydrophobicContact CE1-CB 3.9Å; F208-P243 HydrophobicContact CE2-CB 4.37Å; F208-P243 HydrophobicContact CZ-CB 3.86Å; L237-P243 HydrophobicContact CD1-CG 4.44Å; L237-P243 HydrophobicContact CD2-CB 4.15Å; L237-P243 HydrophobicContact CD2-CG 3.65Å; P243-F245 VanDerWaalsContact C-N 3.27Å; P243-F245 PolarHBondContact O-N 3.33Å; P243-A246 PolarHBondContact O-N 3.24Å; P243-L247 HydrophobicContact CB-CD1 4.43Å; P243-L247 WeakPolarHBondContact O-CG 3.43Å; P243-L247 PolarHBondContact O-N 3.36Å; P243-W270 VanDerWaalsContact CD-CZ2 3.46Å; P243-W270 HydrophobicContact CG-CD2 3.86Å; P243-W270 HydrophobicContact CG-CE3 4.35Å; P243-W270 HydrophobicContact CG-CG 4.06Å; P243-W270 HydrophobicContact CG-CZ2 4.45Å; P243-V271 HydrophobicContact CB-CG2 4.14Å; P243-V271 HydrophobicContact CG-CG2 4.1Å; P243-C274 HydrophobicContact CB-CB 4.25Å
244	R	89.4	Confident	84.7	Confident	115 Å²	115	26.5 Å²	26.5	43%	0.434	15%	0.149	S	C	.	.	H	α-helix	trans	-54	-41.1	-175.1	-172.7	173.3	-175.2	142.9	5.6	112.9	G242 A246 L247 E248 C274 G277	G242-R244 PolarHBondContact O-N 2.94Å; R244-A246 VanDerWaalsContact C-N 3.31Å; R244-A246 PolarHBondContact O-N 3.22Å; R244-L247 PolarHBondContact O-N 3.11Å; R244-E248 HydrophobicContact CG-CG 4.19Å; R244-E248 IonicContact NE-OE1 2.77Å; R244-E248 IonicContact NH2-OE1 2.78Å; R244-E248 VanDerWaalsContact O-CG 3.31Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.35Å; R244-C274 HydrophobicContact CB-CB 4.36Å; R244-G277 PolarHBondContact NH1-O 3.25Å; R244-G277 PolarHBondContact NH2-O 3.26Å
245	F	86.4	Confident	83.8	Confident	25 Å²	25	28.4 Å²	28.4	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-56.1	-45.3	177.7	174.7	-100.6	0	0	0	112.6	I5 D185 F235 K241 P243 M249	I5-F245 HydrophobicContact CD1-CE1 4.34Å; I5-F245 HydrophobicContact CD1-CZ 4.26Å; D185-F245 WeakPolarHBondContact O-CD2 3.41Å; D185-F245 VanDerWaalsContact O-CE2 3.28Å; D185-F245 WeakPolarHBondContact O-CE2 3.29Å; F235-F245 HydrophobicContact CD1-CD1 4.4Å; F235-F245 AromaticContact CE1-CD1 3.88Å; F235-F245 HydrophobicContact CE1-CD1 3.88Å; F235-F245 AromaticContact CE1-CE1 3.93Å; F235-F245 HydrophobicContact CE1-CE1 3.93Å; K241-F245 HydrophobicContact CB-CB 3.87Å; K241-F245 HydrophobicContact CB-CD1 4.45Å; K241-F245 HydrophobicContact CB-CG 4.12Å; K241-F245 HydrophobicContact CD-CB 4.48Å; K241-F245 HydrophobicContact CD-CD1 3.96Å; K241-F245 HydrophobicContact CD-CD2 3.88Å; K241-F245 HydrophobicContact CD-CE1 4.14Å; K241-F245 HydrophobicContact CD-CE2 4.06Å; K241-F245 HydrophobicContact CD-CG 3.83Å; K241-F245 HydrophobicContact CD-CZ 4.19Å; P243-F245 VanDerWaalsContact C-N 3.27Å; P243-F245 PolarHBondContact O-N 3.33Å; F245-M249 PolarHBondContact O-N 3.49Å
246	A	90.5	Very high	83.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73	-40.6	178.8	0	0	0	0	0	111.6	L206 F208 F235 P243 R244 E248 M249 Y250	L206-A246 HydrophobicContact CD1-CB 4.12Å; L206-A246 HydrophobicContact CD2-CB 4.24Å; F208-A246 HydrophobicContact CE1-CB 3.57Å; F208-A246 HydrophobicContact CZ-CB 3.81Å; F235-A246 HydrophobicContact CB-CB 4.39Å; F235-A246 HydrophobicContact CD1-CB 3.64Å; F235-A246 HydrophobicContact CD2-CB 3.57Å; F235-A246 HydrophobicContact CE1-CB 3.65Å; F235-A246 HydrophobicContact CE2-CB 3.58Å; F235-A246 HydrophobicContact CG-CB 3.58Å; F235-A246 HydrophobicContact CZ-CB 3.61Å; P243-A246 PolarHBondContact O-N 3.24Å; R244-A246 VanDerWaalsContact C-N 3.31Å; R244-A246 PolarHBondContact O-N 3.22Å; A246-E248 VanDerWaalsContact C-N 3.3Å; A246-E248 PolarHBondContact O-N 3.06Å; A246-M249 WeakPolarHBondContact O-CB 3.38Å; A246-M249 PolarHBondContact O-N 2.93Å; A246-M249 VanDerWaalsContact O-N 3.16Å; A246-Y250 VanDerWaalsContact O-CD2 3.3Å; A246-Y250 WeakPolarHBondContact O-CD2 3.3Å; A246-Y250 PolarHBondContact O-N 3.35Å
247	L	91	Very high	83.3	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-41	177.9	-66.7	172.6	0	0	0	111.9	L206 F208 P243 R244 Y250 R251 I259 C274 L275 M278	L206-L247 HydrophobicContact CD2-CD2 4.07Å; F208-L247 HydrophobicContact CE2-CD2 4.17Å; F208-L247 HydrophobicContact CZ-CD2 4.17Å; F208-L247 HydrophobicContact CZ-CG 4.11Å; P243-L247 HydrophobicContact CB-CD1 4.43Å; P243-L247 WeakPolarHBondContact O-CG 3.43Å; P243-L247 PolarHBondContact O-N 3.36Å; R244-L247 PolarHBondContact O-N 3.11Å; L247-Y250 CarbonylContact O-C 3.54Å; L247-Y250 PolarHBondContact O-N 2.69Å; L247-R251 PolarHBondContact O-N 3.4Å; L247-I259 HydrophobicContact CD2-CD1 3.6Å; L247-C274 HydrophobicContact CD1-CB 3.65Å; L247-L275 HydrophobicContact CD1-CD2 3.98Å; L247-L275 HydrophobicContact CD1-CG 4.02Å; L247-L275 HydrophobicContact CD2-CD2 3.98Å; L247-M278 HydrophobicContact CB-CE 4.17Å; L247-M278 HydrophobicContact CB-SD 3.51Å; L247-M278 VanDerWaalsContact CB-SD 3.51Å; L247-M278 HydrophobicContact CD1-SD 4Å; L247-M278 HydrophobicContact CG-SD 4.32Å
248	E	83.8	Confident	83.5	Confident	28 Å²	28	33.7 Å²	33.7	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-39.6	175.2	-65	-70.8	-170.6	0	0	111.9	R186 R244 A246 Y250 R251	R186-E248 IonicContact NH2-OE2 3.82Å; R244-E248 HydrophobicContact CG-CG 4.19Å; R244-E248 IonicContact NE-OE1 2.77Å; R244-E248 IonicContact NH2-OE1 2.78Å; R244-E248 VanDerWaalsContact O-CG 3.31Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.35Å; A246-E248 VanDerWaalsContact C-N 3.3Å; A246-E248 PolarHBondContact O-N 3.06Å; E248-Y250 PolarHBondContact O-N 3.29Å; E248-R251 WeakPolarHBondContact O-CB 3.46Å; E248-R251 PolarHBondContact O-N 2.96Å; E248-R251 IonicContact OE1-NH1 3.83Å; E248-R251 IonicContact OE2-CZ 3.76Å; E248-R251 IonicContact OE2-NH1 3.58Å; E248-R251 PolarHBondContact OE2-NH1 3.02Å
249	M	85	Confident	84.4	Confident	11 Å²	11	31.9 Å²	31.9	5%	0.054	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-32.7	173.8	172.4	174	170.7	0	0	112.2	I155 F188 V190 R232 F235 F245 A246	I155-M249 HydrophobicContact CD1-CE 4.47Å; I155-M249 HydrophobicContact CG2-CE 3.53Å; F188-M249 HydrophobicContact CB-CE 3.66Å; F188-M249 HydrophobicContact CB-CG 4.22Å; F188-M249 HydrophobicContact CB-SD 3.93Å; F188-M249 HydrophobicContact CD2-CE 4.31Å; F188-M249 HydrophobicContact CD2-SD 4.32Å; F188-M249 HydrophobicContact CG-CE 4.19Å; V190-M249 HydrophobicContact CG2-CE 3.69Å; V190-M249 HydrophobicContact CG2-CG 3.98Å; V190-M249 PolarHBondContact N-O 3.3Å; R232-M249 HydrophobicContact CB-CE 4.42Å; F235-M249 HydrophobicContact CZ-SD 3.93Å; F245-M249 PolarHBondContact O-N 3.49Å; A246-M249 WeakPolarHBondContact O-CB 3.38Å; A246-M249 PolarHBondContact O-N 2.93Å; A246-M249 VanDerWaalsContact O-N 3.16Å
250	Y	88.6	Confident	85.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8	-178.9	-80.4	-92.4	0	0	0	114.2	I150 V190 L206 R232 F235 A246 L247 E248 K252 C253 L257	I150-Y250 HydrophobicContact CD1-CE1 3.44Å; I150-Y250 VanDerWaalsContact CD1-CE1 3.44Å; V190-Y250 HydrophobicContact CB-CD1 3.99Å; V190-Y250 HydrophobicContact CB-CE1 4.01Å; V190-Y250 HydrophobicContact CB-CG 4.45Å; V190-Y250 HydrophobicContact CG1-CD1 4.12Å; V190-Y250 HydrophobicContact CG1-CE1 3.86Å; V190-Y250 HydrophobicContact CG2-CD1 3.96Å; V190-Y250 HydrophobicContact CG2-CD2 4.15Å; V190-Y250 HydrophobicContact CG2-CE1 3.68Å; V190-Y250 HydrophobicContact CG2-CE2 3.9Å; V190-Y250 HydrophobicContact CG2-CG 4.2Å; L206-Y250 HydrophobicContact CD1-CD2 3.88Å; L206-Y250 HydrophobicContact CD1-CE2 3.76Å; L206-Y250 HydrophobicContact CD2-CD2 4.17Å; L206-Y250 HydrophobicContact CD2-CG 4.28Å; R232-Y250 PolarHBondContact O-OH 2.86Å; F235-Y250 AromaticContact CE2-CE2 3.99Å; F235-Y250 HydrophobicContact CE2-CE2 3.99Å; F235-Y250 HydrophobicContact CZ-CE2 4.41Å; A246-Y250 VanDerWaalsContact O-CD2 3.3Å; A246-Y250 WeakPolarHBondContact O-CD2 3.3Å; A246-Y250 PolarHBondContact O-N 3.35Å; L247-Y250 CarbonylContact O-C 3.54Å; L247-Y250 PolarHBondContact O-N 2.69Å; E248-Y250 PolarHBondContact O-N 3.29Å; Y250-K252 VanDerWaalsContact C-N 3.26Å; Y250-K252 PolarHBondContact O-N 3.47Å; Y250-K252 VanDerWaalsContact O-N 3.14Å; Y250-C253 VanDerWaalsContact O-CB 3.24Å; Y250-C253 WeakPolarHBondContact O-CB 3.44Å; Y250-C253 PolarHBondContact O-N 3.43Å; Y250-L257 HydrophobicContact CD1-CD1 3.89Å; Y250-L257 HydrophobicContact CG-CD1 4.39Å
251	R	83.1	Confident	87.1	Confident	28 Å²	28	26.5 Å²	26.5	11%	0.106	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-52.9	-41.3	-173.6	-169.1	-179.2	-171.4	94.5	6.5	113.2	L247 E248 C253 L254 M278 T678	L247-R251 PolarHBondContact O-N 3.4Å; E248-R251 WeakPolarHBondContact O-CB 3.46Å; E248-R251 PolarHBondContact O-N 2.96Å; E248-R251 IonicContact OE1-NH1 3.83Å; E248-R251 IonicContact OE2-CZ 3.76Å; E248-R251 IonicContact OE2-NH1 3.58Å; E248-R251 PolarHBondContact OE2-NH1 3.02Å; R251-C253 PolarHBondContact O-N 2.97Å; R251-L254 WeakPolarHBondContact O-CB 3.2Å; R251-L254 WeakPolarHBondContact O-CG 3.17Å; R251-L254 PolarHBondContact O-N 3.4Å; R251-M278 HydrophobicContact CG-CE 4.18Å; R251-M278 PolarHBondContact NH2-O 3.46Å; R251-T678 PolarHBondContact NE-OG1 3.35Å; R251-T678 PolarHBondContact NH2-OG1 3.01Å
252	K	78.3	Confident	88	Confident	48 Å²	48	23 Å²	23	21%	0.209	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-70	-6.8	178.5	-64.9	-165.8	175.1	-159.4	0	114.7	Y250 D629 V673	Y250-K252 VanDerWaalsContact C-N 3.26Å; Y250-K252 PolarHBondContact O-N 3.47Å; Y250-K252 VanDerWaalsContact O-N 3.14Å; K252-D629 IonicContact NZ-OD2 3.4Å; K252-V673 PolarHBondContact NZ-O 3.09Å
253	C	84.1	Confident	88.3	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.02	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-87.6	-10.6	174.9	-63.7	0	0	0	0	112.5	P192 P204 Y250 R251 R256 L257	P192-C253 HydrophobicContact CG-CB 4.41Å; P204-C253 HydrophobicContact CB-CB 4.43Å; P204-C253 HydrophobicContact CG-CB 4.07Å; Y250-C253 VanDerWaalsContact O-CB 3.24Å; Y250-C253 WeakPolarHBondContact O-CB 3.44Å; Y250-C253 PolarHBondContact O-N 3.43Å; R251-C253 PolarHBondContact O-N 2.97Å; C253-R256 CarbonylContact O-C 3.57Å; C253-R256 WeakPolarHBondContact O-CA 3.43Å; C253-R256 PolarHBondContact O-N 3.45Å; C253-L257 HydrophobicContact CB-CB 3.93Å; C253-L257 HydrophobicContact CB-CD1 4.26Å; C253-L257 PolarHBondContact O-N 3.35Å
254	L	81.7	Confident	88.2	Confident	13 Å²	13	22.7 Å²	22.7	7%	0.068	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	145.4	179.8	-63.9	169.5	0	0	0	111.2	R251 L257 I280 R284 P286	R251-L254 WeakPolarHBondContact O-CB 3.2Å; R251-L254 WeakPolarHBondContact O-CG 3.17Å; R251-L254 PolarHBondContact O-N 3.4Å; L254-L257 HydrophobicContact CD2-CB 4.08Å; L254-L257 HydrophobicContact CD2-CD2 4.11Å; L254-I280 HydrophobicContact CD1-CD1 3.57Å; L254-R284 PolarHBondContact O-NH2 2.78Å; L254-P286 HydrophobicContact CD2-CB 4.04Å; L254-P286 HydrophobicContact CD2-CG 3.96Å
255	P	76.7	Confident	88.3	Confident	39 Å²	39	17.6 Å²	17.6	25%	0.253	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	4.5	-1.6	36	-36.6	0	0	0	114	L257 R284 W582	P255-L257 VanDerWaalsContact C-N 3.28Å; P255-L257 PolarHBondContact O-N 3.12Å; P255-R284 HydrophobicContact CB-CB 4.4Å; P255-W582 HydrophobicContact CB-CZ3 4.27Å; P255-W582 HydrophobicContact CG-CZ3 4.12Å
256	R	82.3	Confident	88.6	Confident	146 Å²	146	18.6 Å²	18.6	55%	0.551	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.7	-176	-63.4	-176.7	-178	162.9	1.4	114.1	F203 C253	F203-R256 WeakPolarHBondContact CD1-O 3.05Å; C253-R256 CarbonylContact O-C 3.57Å; C253-R256 WeakPolarHBondContact O-CA 3.43Å; C253-R256 PolarHBondContact O-N 3.45Å
257	L	90	Very high	88.7	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.099	C	C	.	.			trans	-60	140.8	177.6	179	69.5	0	0	0	110.6	P204 L206 Y250 C253 L254 P255 I259 P286 P287	P204-L257 HydrophobicContact CB-CD1 4.3Å; P204-L257 VanDerWaalsContact O-CD1 3.32Å; P204-L257 WeakPolarHBondContact O-CD1 3.34Å; L206-L257 HydrophobicContact CB-CD1 3.79Å; L206-L257 HydrophobicContact CD2-CD2 4.32Å; Y250-L257 HydrophobicContact CD1-CD1 3.89Å; Y250-L257 HydrophobicContact CG-CD1 4.39Å; C253-L257 HydrophobicContact CB-CB 3.93Å; C253-L257 HydrophobicContact CB-CD1 4.26Å; C253-L257 PolarHBondContact O-N 3.35Å; L254-L257 HydrophobicContact CD2-CB 4.08Å; L254-L257 HydrophobicContact CD2-CD2 4.11Å; P255-L257 VanDerWaalsContact C-N 3.28Å; P255-L257 PolarHBondContact O-N 3.12Å; L257-I259 HydrophobicContact CD2-CG1 4.31Å; L257-I259 HydrophobicContact CG-CG1 4.44Å; L257-P286 HydrophobicContact CB-CB 4.04Å; L257-P286 HydrophobicContact CD2-CB 4.18Å; L257-P286 HydrophobicContact CD2-CG 4.23Å; L257-P286 HydrophobicContact CG-CB 4.07Å; L257-P286 WeakPolarHBondContact O-CA 3.24Å; L257-P286 WeakPolarHBondContact O-CB 3.26Å; L257-P287 WeakPolarHBondContact O-CD 3.47Å
258	R	93.6	Very high	88.9	Confident	8 Å²	8	18.8 Å²	18.8	3%	0.03	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.4	166.3	-59.1	-171.9	178.6	-170.7	2.3	109.6	F203 P204 L205 L206 P287 V322	F203-R258 HydrophobicContact CB-CG 4.06Å; P204-R258 PolarHBondContact O-N 3.22Å; L205-R258 HydrophobicContact CD1-CB 3.64Å; L206-R258 PolarHBondContact N-O 2.92Å; R258-P287 HydrophobicContact CG-CG 3.95Å; R258-V322 PolarHBondContact NH1-O 3.18Å
259	I	96.9	Very high	89.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.3	179	-61.8	179.7	0	0	0	110.4	L206 F208 L247 L257 V261 V271 P286 P287 I288 A289	L206-I259 HydrophobicContact CB-CG1 4.4Å; L206-I259 CarbonylContact O-C 3.57Å; L206-I259 VanDerWaalsContact O-CA 3.25Å; L206-I259 WeakPolarHBondContact O-CA 3.43Å; F208-I259 HydrophobicContact CD2-CG2 3.64Å; F208-I259 HydrophobicContact CE2-CD1 4.27Å; F208-I259 HydrophobicContact CE2-CG2 3.9Å; L247-I259 HydrophobicContact CD2-CD1 3.6Å; L257-I259 HydrophobicContact CD2-CG1 4.31Å; L257-I259 HydrophobicContact CG-CG1 4.44Å; I259-V261 HydrophobicContact CG2-CG2 3.86Å; I259-V271 HydrophobicContact CD1-CG1 4.21Å; I259-P286 HydrophobicContact CD1-CB 4.18Å; I259-P286 HydrophobicContact CD1-CG 3.35Å; I259-P286 HydrophobicContact CG1-CB 4.08Å; I259-P286 HydrophobicContact CG1-CG 3.82Å; I259-P287 PolarHBondContact N-O 3.49Å; I259-I288 HydrophobicContact CB-CG1 4.19Å; I259-I288 HydrophobicContact CB-CG2 4.48Å; I259-I288 HydrophobicContact CG2-CG2 4.33Å; I259-I288 CarbonylContact O-C 3.47Å; I259-I288 WeakPolarHBondContact O-CA 3.4Å; I259-A289 PolarHBondContact O-N 2.87Å
260	V	97.2	Very high	89.9	Confident	1 Å²	1	23 Å²	23	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.4	164.7	-174	0	0	0	0	108.9	L205 L206 I207 F208 A289 V291 I321	L205-V260 HydrophobicContact CD1-CG2 3.64Å; L205-V260 HydrophobicContact CD2-CG2 3.84Å; L205-V260 HydrophobicContact CG-CG2 3.92Å; L206-V260 PolarHBondContact O-N 2.91Å; I207-V260 CarbonylContact C-O 3.51Å; I207-V260 WeakPolarHBondContact CA-O 3.48Å; I207-V260 HydrophobicContact CG1-CB 4.23Å; I207-V260 HydrophobicContact CG1-CG2 4.39Å; I207-V260 HydrophobicContact CG2-CB 4.19Å; F208-V260 PolarHBondContact N-O 3.25Å; V260-A289 WeakPolarHBondContact CA-O 3.17Å; V260-A289 HydrophobicContact CG2-CB 4.47Å; V260-V291 HydrophobicContact CG1-CG2 3.73Å; V260-I321 HydrophobicContact CG1-CD1 4Å; V260-I321 HydrophobicContact CG2-CD1 3.83Å; V260-I321 HydrophobicContact CG2-CG2 4.29Å
261	V	96.3	Very high	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107.1	174.8	-177.9	0	0	0	0	109.5	F208 I259 G263 T267 V268 V271 I288 A289 I290 V291	F208-V261 HydrophobicContact CD2-CG2 4.49Å; I259-V261 HydrophobicContact CG2-CG2 3.86Å; V261-G263 PolarHBondContact O-N 3.04Å; V261-T267 HydrophobicContact CG1-CG2 3.53Å; V261-V268 HydrophobicContact CB-CG2 4.15Å; V261-V268 HydrophobicContact CG1-CG2 3.91Å; V261-V271 HydrophobicContact CG2-CB 4.42Å; V261-V271 HydrophobicContact CG2-CG2 3.91Å; V261-I288 HydrophobicContact CB-CG2 4.4Å; V261-I288 HydrophobicContact CG2-CG2 3.66Å; V261-A289 PolarHBondContact N-O 3.26Å; V261-I290 WeakPolarHBondContact O-CA 3.37Å; V261-V291 PolarHBondContact O-N 3Å
262	C	94.5	Very high	90.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	92.1	171.7	-48.7	0	0	0	0	109.3	F208 V209 N210 L221 V291 L293	F208-C262 WeakPolarHBondContact O-CB 3.46Å; F208-C262 PolarHBondContact O-N 3.1Å; V209-C262 HydrophobicContact CB-CB 4.41Å; V209-C262 HydrophobicContact CG1-CB 4.21Å; V209-C262 HydrophobicContact CG2-CB 4.22Å; N210-C262 PolarHBondContact N-O 2.99Å; L221-C262 HydrophobicContact CD2-CB 3.71Å; C262-V291 WeakPolarHBondContact CA-O 3.49Å; C262-V291 HydrophobicContact CB-CB 4.17Å; C262-L293 HydrophobicContact CB-CD1 3.83Å; C262-L293 HydrophobicContact CB-CG 4.43Å
263	G	92.6	Very high	91.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	-158.1	-171.3	0	0	0	0	0	112.8	V261 V291 L293 G294	V261-G263 PolarHBondContact O-N 3.04Å; G263-V291 PolarHBondContact N-O 2.81Å; G263-V291 VanDerWaalsContact N-O 3.07Å; G263-L293 PolarHBondContact O-N 2.86Å; G263-G294 PolarHBondContact O-N 3.24Å; G263-G294 VanDerWaalsContact O-N 3.13Å
264	G	89.8	Confident	91.9	Very high	7 Å²	7	23.6 Å²	23.6	7%	0.072	13%	0.13	C	C	.	.			trans	-112.9	-172.8	166.7	0	0	0	0	0	111.3	G266 T267 V268 G296	G264-G266 PolarHBondContact O-N 2.56Å; G264-T267 WeakPolarHBondContact O-CA 3.28Å; G264-T267 WeakPolarHBondContact O-CB 3.29Å; G264-T267 PolarHBondContact O-N 2.96Å; G264-V268 PolarHBondContact O-N 3.47Å; G264-G296 WeakPolarHBondContact CA-O 3.42Å
265	D	92.7	Very high	92.5	Very high	8 Å²	8	23 Å²	23	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-52	-48.7	-175.9	-59.8	-30.1	0	0	0	112.4	T267 V268 S269 G296 N297 D298 L299 N363	D265-T267 PolarHBondContact O-N 2.92Å; D265-V268 WeakPolarHBondContact O-CA 3.35Å; D265-V268 WeakPolarHBondContact O-CB 3.37Å; D265-V268 PolarHBondContact O-N 3.16Å; D265-S269 PolarHBondContact O-N 3.44Å; D265-S269 PolarHBondContact O-OG 3.15Å; D265-G296 PolarHBondContact N-O 3.08Å; D265-N297 WeakPolarHBondContact OD1-CA 3.14Å; D265-N297 PolarHBondContact OD2-N 3.36Å; D265-D298 PolarHBondContact OD1-N 3.41Å; D265-D298 PolarHBondContact OD2-N 2.83Å; D265-L299 VanDerWaalsContact OD1-CB 3.28Å; D265-L299 WeakPolarHBondContact OD1-CB 3.47Å; D265-L299 PolarHBondContact OD1-N 3.07Å; D265-N363 WeakPolarHBondContact CB-ND2 3.48Å
266	G	91.1	Very high	93.1	Very high	46 Å²	46	22.9 Å²	22.9	47%	0.474	13%	0.125	S	C	.	.	H	α-helix	trans	-63.5	-23.3	177.5	0	0	0	0	0	115.2	G264 W270	G264-G266 PolarHBondContact O-N 2.56Å; G266-W270 WeakPolarHBondContact O-CB 3.49Å; G266-W270 PolarHBondContact O-N 2.92Å
267	T	93.1	Very high	93.3	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-73.2	-36.7	172.5	-51.8	0	0	0	0	110.8	N210 L237 V261 G264 D265 W270 V271	N210-T267 HydrophobicContact CB-CG2 3.95Å; N210-T267 PolarHBondContact ND2-OG1 3.22Å; L237-T267 HydrophobicContact CD1-CG2 3.47Å; L237-T267 VanDerWaalsContact CD1-CG2 3.47Å; V261-T267 HydrophobicContact CG1-CG2 3.53Å; G264-T267 WeakPolarHBondContact O-CA 3.28Å; G264-T267 WeakPolarHBondContact O-CB 3.29Å; G264-T267 PolarHBondContact O-N 2.96Å; D265-T267 PolarHBondContact O-N 2.92Å; T267-W270 PolarHBondContact O-N 2.84Å; T267-V271 PolarHBondContact O-N 2.83Å
268	V	95.7	Very high	92.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.6	-46.3	174.4	-176.4	0	0	0	0	109.8	V261 G264 D265 W270 V271 F272 I290 L299	V261-V268 HydrophobicContact CB-CG2 4.15Å; V261-V268 HydrophobicContact CG1-CG2 3.91Å; G264-V268 PolarHBondContact O-N 3.47Å; D265-V268 WeakPolarHBondContact O-CA 3.35Å; D265-V268 WeakPolarHBondContact O-CB 3.37Å; D265-V268 PolarHBondContact O-N 3.16Å; V268-W270 VanDerWaalsContact C-N 3.25Å; V268-W270 PolarHBondContact O-N 2.77Å; V268-V271 PolarHBondContact O-N 3.44Å; V268-F272 HydrophobicContact CG1-CD2 3.99Å; V268-F272 HydrophobicContact CG1-CE2 3.65Å; V268-F272 HydrophobicContact CG1-CZ 4.34Å; V268-F272 PolarHBondContact O-N 2.72Å; V268-I290 HydrophobicContact CG2-CD1 3.95Å; V268-I290 HydrophobicContact CG2-CG1 3.91Å; V268-I290 HydrophobicContact CG2-CG2 4.4Å; V268-L299 HydrophobicContact CB-CD2 4.27Å; V268-L299 HydrophobicContact CG1-CD2 3.85Å
269	S	94.7	Very high	91.8	Very high	23 Å²	23	24.2 Å²	24.2	16%	0.161	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-37.1	175.4	-52.4	0	0	0	0	112.5	D265 F272 S273 N362	D265-S269 PolarHBondContact O-N 3.44Å; D265-S269 PolarHBondContact O-OG 3.15Å; S269-F272 PolarHBondContact O-N 2.88Å; S269-S273 WeakPolarHBondContact O-CB 3.23Å; S269-S273 PolarHBondContact O-N 3.08Å; S269-N362 PolarHBondContact OG-ND2 3.47Å
270	W	94.1	Very high	90.9	Very high	105 Å²	105	24.9 Å²	24.9	40%	0.398	15%	0.147	S	C	.	.	H	α-helix	trans	-64.6	-41.1	175.3	-173.7	17.1	0	0	0	112.7	L237 P243 G266 T267 V268 S273 C274	L237-W270 HydrophobicContact CB-CH2 4.32Å; L237-W270 HydrophobicContact CB-CZ3 3.79Å; L237-W270 HydrophobicContact CD1-CE3 4.11Å; L237-W270 HydrophobicContact CD1-CZ3 4.17Å; L237-W270 HydrophobicContact CG-CZ3 4.45Å; P243-W270 VanDerWaalsContact CD-CZ2 3.46Å; P243-W270 HydrophobicContact CG-CD2 3.86Å; P243-W270 HydrophobicContact CG-CE3 4.35Å; P243-W270 HydrophobicContact CG-CG 4.06Å; P243-W270 HydrophobicContact CG-CZ2 4.45Å; G266-W270 WeakPolarHBondContact O-CB 3.49Å; G266-W270 PolarHBondContact O-N 2.92Å; T267-W270 PolarHBondContact O-N 2.84Å; V268-W270 VanDerWaalsContact C-N 3.25Å; V268-W270 PolarHBondContact O-N 2.77Å; W270-S273 PolarHBondContact O-N 3.4Å; W270-C274 PolarHBondContact O-N 3.14Å; W270-C274 PolarHBondContact O-SG 2.57Å
271	V	95.8	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-44.2	175.3	175.2	0	0	0	0	110.6	F208 P243 I259 V261 T267 V268 C274 L275 I288	F208-V271 HydrophobicContact CD2-CG1 4.46Å; F208-V271 HydrophobicContact CD2-CG2 3.85Å; F208-V271 HydrophobicContact CE2-CG1 4.24Å; F208-V271 HydrophobicContact CE2-CG2 4.22Å; F208-V271 HydrophobicContact CG-CG2 4.39Å; P243-V271 HydrophobicContact CB-CG2 4.14Å; P243-V271 HydrophobicContact CG-CG2 4.1Å; I259-V271 HydrophobicContact CD1-CG1 4.21Å; V261-V271 HydrophobicContact CG2-CB 4.42Å; V261-V271 HydrophobicContact CG2-CG2 3.91Å; T267-V271 PolarHBondContact O-N 2.83Å; V268-V271 PolarHBondContact O-N 3.44Å; V271-C274 WeakPolarHBondContact O-CB 3.19Å; V271-C274 PolarHBondContact O-N 2.84Å; V271-L275 HydrophobicContact CG1-CD1 4.29Å; V271-L275 PolarHBondContact O-N 3.32Å; V271-I288 HydrophobicContact CG1-CD1 3.97Å
272	F	95.8	Very high	89.3	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-47.1	174.8	-77.2	-45.2	0	0	0	112.8	V268 S269 C274 L275 D276 I288 F330 V548 M550	V268-F272 HydrophobicContact CG1-CD2 3.99Å; V268-F272 HydrophobicContact CG1-CE2 3.65Å; V268-F272 HydrophobicContact CG1-CZ 4.34Å; V268-F272 PolarHBondContact O-N 2.72Å; S269-F272 PolarHBondContact O-N 2.88Å; F272-C274 PolarHBondContact O-N 2.77Å; F272-L275 HydrophobicContact CD1-CD1 4.34Å; F272-L275 WeakPolarHBondContact O-CA 3.28Å; F272-L275 WeakPolarHBondContact O-CB 3.29Å; F272-L275 PolarHBondContact O-N 3.29Å; F272-D276 PolarHBondContact O-N 2.86Å; F272-I288 HydrophobicContact CD1-CD1 3.92Å; F272-I288 HydrophobicContact CE1-CD1 3.52Å; F272-I288 HydrophobicContact CE1-CG1 4.39Å; F272-I288 HydrophobicContact CZ-CD1 4.03Å; F272-F330 HydrophobicContact CE2-CD1 4.49Å; F272-F330 HydrophobicContact CE2-CE1 4.3Å; F272-F330 HydrophobicContact CZ-CD1 4.37Å; F272-V548 HydrophobicContact CD1-CG2 4.44Å; F272-V548 HydrophobicContact CE1-CB 4.25Å; F272-V548 HydrophobicContact CE1-CG2 3.57Å; F272-V548 HydrophobicContact CZ-CG2 3.72Å; F272-M550 HydrophobicContact CE1-SD 4.45Å; F272-M550 HydrophobicContact CE2-SD 4.38Å; F272-M550 HydrophobicContact CZ-CG 4.46Å; F272-M550 HydrophobicContact CZ-SD 3.59Å; F272-M550 VanDerWaalsContact CZ-SD 3.59Å
273	S	93.3	Very high	88.6	Confident	73 Å²	73	32 Å²	32	51%	0.51	20%	0.195	S	C	.	.	H	α-helix	trans	-58.2	-37.4	176.3	176	0	0	0	0	112.1	S269 W270 D276 G277	S269-S273 WeakPolarHBondContact O-CB 3.23Å; S269-S273 PolarHBondContact O-N 3.08Å; W270-S273 PolarHBondContact O-N 3.4Å; S273-D276 PolarHBondContact O-N 3.27Å; S273-G277 PolarHBondContact O-N 2.59Å
274	C	93.3	Very high	88.2	Confident	17 Å²	17	33.1 Å²	33.1	12%	0.115	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-39.9	173.8	-66.6	0	0	0	0	112.5	P243 R244 L247 W270 V271 F272 G277 M278	P243-C274 HydrophobicContact CB-CB 4.25Å; R244-C274 HydrophobicContact CB-CB 4.36Å; L247-C274 HydrophobicContact CD1-CB 3.65Å; W270-C274 PolarHBondContact O-N 3.14Å; W270-C274 PolarHBondContact O-SG 2.57Å; V271-C274 WeakPolarHBondContact O-CB 3.19Å; V271-C274 PolarHBondContact O-N 2.84Å; F272-C274 PolarHBondContact O-N 2.77Å; C274-G277 PolarHBondContact O-N 2.58Å; C274-M278 WeakPolarHBondContact O-CG 3.24Å; C274-M278 PolarHBondContact O-N 3.44Å
275	L	92.5	Very high	88.2	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-42.3	175.4	-71.9	166.5	0	0	0	111.5	L247 V271 F272 G277 M278 I280 Y285 P286 I288	L247-L275 HydrophobicContact CD1-CD2 3.98Å; L247-L275 HydrophobicContact CD1-CG 4.02Å; L247-L275 HydrophobicContact CD2-CD2 3.98Å; V271-L275 HydrophobicContact CG1-CD1 4.29Å; V271-L275 PolarHBondContact O-N 3.32Å; F272-L275 HydrophobicContact CD1-CD1 4.34Å; F272-L275 WeakPolarHBondContact O-CA 3.28Å; F272-L275 WeakPolarHBondContact O-CB 3.29Å; F272-L275 PolarHBondContact O-N 3.29Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 3.5Å; L275-M278 HydrophobicContact CD2-SD 4.21Å; L275-M278 WeakPolarHBondContact O-CB 3.28Å; L275-M278 PolarHBondContact O-N 3.12Å; L275-I280 HydrophobicContact CD2-CD1 4.44Å; L275-Y285 HydrophobicContact CB-CD2 4.02Å; L275-Y285 HydrophobicContact CB-CE1 4.3Å; L275-Y285 HydrophobicContact CB-CE2 3.6Å; L275-Y285 HydrophobicContact CD1-CD2 3.94Å; L275-Y285 HydrophobicContact CD1-CE2 4.32Å; L275-Y285 HydrophobicContact CD1-CG 4.4Å; L275-Y285 PolarHBondContact O-OH 2.77Å; L275-P286 HydrophobicContact CD1-CG 4.37Å; L275-P286 HydrophobicContact CD2-CG 4.24Å; L275-I288 HydrophobicContact CD1-CD1 4.26Å
276	D	90.8	Very high	88.3	Confident	36 Å²	36	33.1 Å²	33.1	19%	0.193	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-41.3	174.6	-58.8	-26.7	0	0	0	111.3	F272 S273 M278 K279 Y285 R332	F272-D276 PolarHBondContact O-N 2.86Å; S273-D276 PolarHBondContact O-N 3.27Å; D276-M278 PolarHBondContact O-N 3.2Å; D276-K279 PolarHBondContact O-N 3.47Å; D276-Y285 WeakPolarHBondContact CA-OH 3.26Å; D276-Y285 PolarHBondContact N-OH 3.22Å; D276-Y285 WeakPolarHBondContact OD1-CE2 3.3Å; D276-Y285 PolarHBondContact OD1-OH 3.39Å; D276-R332 VanDerWaalsContact CG-NH1 3.3Å; D276-R332 IonicContact OD1-CZ 2.56Å; D276-R332 IonicContact OD1-NH1 2.59Å; D276-R332 PolarHBondContact OD1-NH1 3.14Å; D276-R332 IonicContact OD1-NH2 3.25Å; D276-R332 IonicContact OD2-CZ 2.81Å; D276-R332 VanDerWaalsContact OD2-CZ 3.31Å; D276-R332 IonicContact OD2-NH1 2.97Å; D276-R332 PolarHBondContact OD2-NH1 2.66Å; D276-R332 VanDerWaalsContact OD2-NH1 3.08Å; D276-R332 IonicContact OD2-NH2 2.7Å; D276-R332 PolarHBondContact OD2-NH2 2.78Å
277	G	86.5	Confident	88.4	Confident	30 Å²	30	31.2 Å²	31.2	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.3	175.2	0	0	0	0	0	115.4	R244 S273 C274 L275	R244-G277 PolarHBondContact NH1-O 3.25Å; R244-G277 PolarHBondContact NH2-O 3.26Å; S273-G277 PolarHBondContact O-N 2.59Å; C274-G277 PolarHBondContact O-N 2.58Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 3.5Å
278	M	81.1	Confident	88.6	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.039	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.7	174.7	-71.1	174	71.4	0	0	113.4	L247 R251 C274 L275 D276 I280	L247-M278 HydrophobicContact CB-CE 4.17Å; L247-M278 HydrophobicContact CB-SD 3.51Å; L247-M278 VanDerWaalsContact CB-SD 3.51Å; L247-M278 HydrophobicContact CD1-SD 4Å; L247-M278 HydrophobicContact CG-SD 4.32Å; R251-M278 HydrophobicContact CG-CE 4.18Å; R251-M278 PolarHBondContact NH2-O 3.46Å; C274-M278 WeakPolarHBondContact O-CG 3.24Å; C274-M278 PolarHBondContact O-N 3.44Å; L275-M278 HydrophobicContact CD2-SD 4.21Å; L275-M278 WeakPolarHBondContact O-CB 3.28Å; L275-M278 PolarHBondContact O-N 3.12Å; D276-M278 PolarHBondContact O-N 3.2Å; M278-I280 HydrophobicContact CB-CG1 4.35Å; M278-I280 PolarHBondContact O-N 3.31Å; M278-I280 VanDerWaalsContact O-N 3.12Å
279	K	70.8	Confident	88.7	Confident	145 Å²	145	30.9 Å²	30.9	63%	0.63	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	33.7	178.7	-59.6	-178.4	-179.7	171.6	0	113.8	D276 E682	D276-K279 PolarHBondContact O-N 3.47Å; K279-E682 WeakPolarHBondContact CD-OE1 3.39Å; K279-E682 VanDerWaalsContact CE-OE1 3.29Å; K279-E682 WeakPolarHBondContact CE-OE1 3.3Å; K279-E682 IonicContact NZ-OE1 2.62Å; K279-E682 PolarHBondContact NZ-OE1 2.78Å
280	I	76.8	Confident	88.7	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.072	17%	0.167	C	C	.	.			trans	-90.1	149.8	170.5	56.8	174.2	0	0	0	109.2	L254 L275 M278 S282 Y285	L254-I280 HydrophobicContact CD1-CD1 3.57Å; L275-I280 HydrophobicContact CD2-CD1 4.44Å; M278-I280 HydrophobicContact CB-CG1 4.35Å; M278-I280 PolarHBondContact O-N 3.31Å; M278-I280 VanDerWaalsContact O-N 3.12Å; I280-S282 PolarHBondContact O-N 2.91Å; I280-Y285 HydrophobicContact CD1-CD1 3.94Å; I280-Y285 HydrophobicContact CD1-CE1 4.11Å; I280-Y285 HydrophobicContact CG1-CD1 3.94Å; I280-Y285 HydrophobicContact CG1-CE1 3.67Å
281	P	77.7	Confident	88.8	Confident	32 Å²	32	24.9 Å²	24.9	21%	0.208	15%	0.148	C	C	.	.			trans	-56.1	139.1	174	-25.2	34.6	0	0	0	111.3	S283 R284 C588 Y626	P281-S283 PolarHBondContact O-N 2.72Å; P281-S283 VanDerWaalsContact O-N 3.15Å; P281-R284 PolarHBondContact O-N 2.99Å; P281-C588 HydrophobicContact CG-CB 4.31Å; P281-Y626 HydrophobicContact CG-CD2 4.16Å; P281-Y626 HydrophobicContact CG-CE2 3.68Å
282	S	83.4	Confident	88.6	Confident	43 Å²	43	25.2 Å²	25.2	30%	0.301	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25	179.9	66	0	0	0	0	113	I280 R284 Y285	I280-S282 PolarHBondContact O-N 2.91Å; S282-R284 PolarHBondContact O-N 2.99Å; S282-Y285 WeakPolarHBondContact O-CB 3.39Å; S282-Y285 PolarHBondContact O-N 3.09Å; S282-Y285 VanDerWaalsContact O-N 3.11Å
283	S	79.9	Confident	88.2	Confident	74 Å²	74	25.4 Å²	25.4	52%	0.517	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-62	-22	171.8	57.4	0	0	0	0	113.7	P281	P281-S283 PolarHBondContact O-N 2.72Å; P281-S283 VanDerWaalsContact O-N 3.15Å
284	R	83.2	Confident	87.3	Confident	24 Å²	24	22.3 Å²	22.3	9%	0.091	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-95.3	0.6	176	-67.8	-166	69.6	164.3	2.3	113.6	L254 P255 P281 S282 D627	L254-R284 PolarHBondContact O-NH2 2.78Å; P255-R284 HydrophobicContact CB-CB 4.4Å; P281-R284 PolarHBondContact O-N 2.99Å; S282-R284 PolarHBondContact O-N 2.99Å; R284-D627 IonicContact CZ-OD1 2.8Å; R284-D627 IonicContact CZ-OD2 2.98Å; R284-D627 IonicContact NH1-OD1 3.75Å; R284-D627 PolarHBondContact NH1-OD1 3.19Å; R284-D627 IonicContact NH1-OD2 3.84Å; R284-D627 IonicContact NH2-OD1 2.67Å; R284-D627 PolarHBondContact NH2-OD1 2.81Å; R284-D627 IonicContact NH2-OD2 3.79Å; R284-D627 PolarHBondContact NH2-OD2 3.43Å
285	Y	91	Very high	86.4	Confident	14 Å²	14	24.2 Å²	24.2	6%	0.055	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-62.4	140.6	-179.8	-81.9	28.4	0	0	0	110	L275 D276 I280 S282 V548 P549	L275-Y285 HydrophobicContact CB-CD2 4.02Å; L275-Y285 HydrophobicContact CB-CE1 4.3Å; L275-Y285 HydrophobicContact CB-CE2 3.6Å; L275-Y285 HydrophobicContact CD1-CD2 3.94Å; L275-Y285 HydrophobicContact CD1-CE2 4.32Å; L275-Y285 HydrophobicContact CD1-CG 4.4Å; L275-Y285 PolarHBondContact O-OH 2.77Å; D276-Y285 WeakPolarHBondContact CA-OH 3.26Å; D276-Y285 PolarHBondContact N-OH 3.22Å; D276-Y285 WeakPolarHBondContact OD1-CE2 3.3Å; D276-Y285 PolarHBondContact OD1-OH 3.39Å; I280-Y285 HydrophobicContact CD1-CD1 3.94Å; I280-Y285 HydrophobicContact CD1-CE1 4.11Å; I280-Y285 HydrophobicContact CG1-CD1 3.94Å; I280-Y285 HydrophobicContact CG1-CE1 3.67Å; S282-Y285 WeakPolarHBondContact O-CB 3.39Å; S282-Y285 PolarHBondContact O-N 3.09Å; S282-Y285 VanDerWaalsContact O-N 3.11Å; Y285-V548 HydrophobicContact CD2-CB 4.19Å; Y285-V548 HydrophobicContact CD2-CG1 3.5Å; Y285-V548 HydrophobicContact CE2-CG1 3.89Å; Y285-V548 HydrophobicContact CG-CG1 4.32Å; Y285-P549 WeakPolarHBondContact O-CG 3.41Å
286	P	93	Very high	85.5	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-74	138.8	177	30.5	-33.1	0	0	0	110.1	L254 L257 I259 L275 I288	L254-P286 HydrophobicContact CD2-CB 4.04Å; L254-P286 HydrophobicContact CD2-CG 3.96Å; L257-P286 HydrophobicContact CB-CB 4.04Å; L257-P286 HydrophobicContact CD2-CB 4.18Å; L257-P286 HydrophobicContact CD2-CG 4.23Å; L257-P286 HydrophobicContact CG-CB 4.07Å; L257-P286 WeakPolarHBondContact O-CA 3.24Å; L257-P286 WeakPolarHBondContact O-CB 3.26Å; I259-P286 HydrophobicContact CD1-CB 4.18Å; I259-P286 HydrophobicContact CD1-CG 3.35Å; I259-P286 HydrophobicContact CG1-CB 4.08Å; I259-P286 HydrophobicContact CG1-CG 3.82Å; L275-P286 HydrophobicContact CD1-CG 4.37Å; L275-P286 HydrophobicContact CD2-CG 4.24Å; P286-I288 WeakPolarHBondContact O-CG1 3.36Å; P286-I288 PolarHBondContact O-N 3.2Å
287	P	94.9	Very high	85.4	Confident	6 Å²	6	23.9 Å²	23.9	4%	0.039	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-62.4	136	173.4	28.1	-38	0	0	0	111.3	L257 R258 I259 I327 P549 L551	L257-P287 WeakPolarHBondContact O-CD 3.47Å; R258-P287 HydrophobicContact CG-CG 3.95Å; I259-P287 PolarHBondContact N-O 3.49Å; P287-I327 HydrophobicContact CB-CD1 4.45Å; P287-I327 HydrophobicContact CB-CG1 4.26Å; P287-I327 HydrophobicContact CG-CD1 4.29Å; P287-P549 WeakPolarHBondContact CA-O 3.49Å; P287-P549 HydrophobicContact CB-CB 4Å; P287-P549 HydrophobicContact CB-CG 4.39Å; P287-L551 HydrophobicContact CB-CD2 3.76Å; P287-L551 HydrophobicContact CB-CG 3.85Å; P287-L551 HydrophobicContact CG-CD2 4.22Å
288	I	97.1	Very high	85.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.7	-175.7	-50.6	-172.8	0	0	0	111.4	I259 V261 V271 F272 L275 P286 P549 M550 L551	I259-I288 HydrophobicContact CB-CG1 4.19Å; I259-I288 HydrophobicContact CB-CG2 4.48Å; I259-I288 HydrophobicContact CG2-CG2 4.33Å; I259-I288 CarbonylContact O-C 3.47Å; I259-I288 WeakPolarHBondContact O-CA 3.4Å; V261-I288 HydrophobicContact CB-CG2 4.4Å; V261-I288 HydrophobicContact CG2-CG2 3.66Å; V271-I288 HydrophobicContact CG1-CD1 3.97Å; F272-I288 HydrophobicContact CD1-CD1 3.92Å; F272-I288 HydrophobicContact CE1-CD1 3.52Å; F272-I288 HydrophobicContact CE1-CG1 4.39Å; F272-I288 HydrophobicContact CZ-CD1 4.03Å; L275-I288 HydrophobicContact CD1-CD1 4.26Å; P286-I288 WeakPolarHBondContact O-CG1 3.36Å; P286-I288 PolarHBondContact O-N 3.2Å; I288-P549 PolarHBondContact N-O 2.94Å; I288-M550 HydrophobicContact CB-CE 4.44Å; I288-M550 HydrophobicContact CB-SD 3.73Å; I288-M550 HydrophobicContact CG1-SD 4.47Å; I288-M550 WeakPolarHBondContact O-CE 3.27Å; I288-L551 PolarHBondContact O-N 3.02Å
289	A	96.7	Very high	86.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	155.7	164.5	0	0	0	0	0	111.2	I259 V260 V261 W305 I321 L551	I259-A289 PolarHBondContact O-N 2.87Å; V260-A289 WeakPolarHBondContact CA-O 3.17Å; V260-A289 HydrophobicContact CG2-CB 4.47Å; V261-A289 PolarHBondContact N-O 3.26Å; A289-W305 HydrophobicContact CB-CZ2 4.03Å; A289-I321 HydrophobicContact CB-CD1 3.95Å; A289-I321 HydrophobicContact CB-CG1 3.91Å; A289-I321 HydrophobicContact CB-CG2 3.97Å; A289-L551 HydrophobicContact CB-CB 3.93Å; A289-L551 HydrophobicContact CB-CD1 3.85Å; A289-L551 HydrophobicContact CB-CG 4.42Å
290	I	95.9	Very high	87.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.2	-177	-54.6	169.1	0	0	0	109.9	V261 V268 L299 M303 W305 M550	V261-I290 WeakPolarHBondContact O-CA 3.37Å; V268-I290 HydrophobicContact CG2-CD1 3.95Å; V268-I290 HydrophobicContact CG2-CG1 3.91Å; V268-I290 HydrophobicContact CG2-CG2 4.4Å; I290-L299 HydrophobicContact CD1-CB 4.26Å; I290-L299 HydrophobicContact CD1-CD2 3.87Å; I290-L299 HydrophobicContact CD1-CG 3.69Å; I290-M303 HydrophobicContact CD1-CG 4.47Å; I290-W305 WeakPolarHBondContact O-CB 3.31Å; I290-W305 VanDerWaalsContact O-CG 3.23Å; I290-M550 HydrophobicContact CD1-CE 3.8Å; I290-M550 HydrophobicContact CG1-CE 4.2Å
291	V	94.8	Very high	88.5	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109	164.9	177.9	0	0	0	0	107.9	L221 V260 V261 C262 G263 L293 Y309 I314 V317	L221-V291 HydrophobicContact CD2-CG1 4.25Å; V260-V291 HydrophobicContact CG1-CG2 3.73Å; V261-V291 PolarHBondContact O-N 3Å; C262-V291 WeakPolarHBondContact CA-O 3.49Å; C262-V291 HydrophobicContact CB-CB 4.17Å; G263-V291 PolarHBondContact N-O 2.81Å; G263-V291 VanDerWaalsContact N-O 3.07Å; V291-L293 PolarHBondContact O-N 3.49Å; V291-Y309 HydrophobicContact CG1-CD2 3.66Å; V291-Y309 HydrophobicContact CG1-CE2 4.16Å; V291-Y309 HydrophobicContact CG1-CG 4Å; V291-I314 HydrophobicContact CG2-CD1 4.47Å; V291-V317 HydrophobicContact CG2-CG1 4.09Å
292	P	93.1	Very high	89.3	Confident	7 Å²	7	15.4 Å²	15.4	5%	0.045	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	89	-168.7	25.6	-32.3	0	0	0	113.3	N297 S300 Y309	P292-N297 HydrophobicContact CB-CB 4Å; P292-S300 WeakPolarHBondContact CB-OG 3.16Å; P292-S300 WeakPolarHBondContact CG-OG 3.47Å; P292-Y309 PolarHBondContact O-N 3.33Å
293	L	87.2	Confident	89.9	Confident	7 Å²	7	13.3 Å²	13.3	4%	0.037	9%	0.085	C	C	.	.			trans	-92.8	-12.6	170.4	-64.3	-177.3	0	0	0	112.8	G214 K217 L221 C262 G263 V291 Y309	G214-L293 WeakPolarHBondContact CA-O 3.44Å; G214-L293 PolarHBondContact N-O 3.04Å; K217-L293 HydrophobicContact CB-CD2 4.27Å; L221-L293 HydrophobicContact CD2-CD1 3.79Å; L221-L293 HydrophobicContact CD2-CD2 4.3Å; L221-L293 HydrophobicContact CD2-CG 4.33Å; C262-L293 HydrophobicContact CB-CD1 3.83Å; C262-L293 HydrophobicContact CB-CG 4.43Å; G263-L293 PolarHBondContact O-N 2.86Å; V291-L293 PolarHBondContact O-N 3.49Å; L293-Y309 HydrophobicContact CD2-CD1 4.02Å; L293-Y309 HydrophobicContact CD2-CG 4.28Å
294	G	73.4	Confident	90.4	Very high	8 Å²	8	11.5 Å²	11.5	8%	0.082	8%	0.078	C	C	.	.	S	Bend	trans	-77.7	-179	-173.7	0	0	0	0	0	115.7	G263 N297	G263-G294 PolarHBondContact O-N 3.24Å; G263-G294 VanDerWaalsContact O-N 3.13Å; G294-N297 WeakPolarHBondContact CA-OD1 3.46Å; G294-N297 PolarHBondContact N-OD1 2.77Å; G294-N297 PolarHBondContact O-ND2 2.67Å
295	T	73.7	Confident	90.9	Very high	56 Å²	56	11.2 Å²	11.2	34%	0.344	8%	0.077	S	C	.	.	S	Bend	trans	-93	-43.2	167.9	50	0	0	0	0	112.2	R381 R391 N394	T295-R381 PolarHBondContact OG1-NH2 3.45Å; T295-R391 HydrophobicContact CG2-CB 3.73Å; T295-R391 HydrophobicContact CG2-CG 3.73Å; T295-N394 HydrophobicContact CG2-CB 4.06Å; T295-N394 WeakPolarHBondContact CG2-ND2 3.3Å
296	G	75.3	Confident	90.9	Very high	29 Å²	29	12 Å²	12	30%	0.299	9%	0.09	S	C	.	.			trans	-86.7	115.3	162.9	0	0	0	0	0	109.4	G264 D265	G264-G296 WeakPolarHBondContact CA-O 3.42Å; D265-G296 PolarHBondContact N-O 3.08Å
297	N	88.9	Confident	90.7	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	10%	0.102	C	C	.	.			trans	-138.8	33.8	-179.5	-65.5	-37	0	0	0	108.6	D265 P292 G294 L299 S300 Q301 S307	D265-N297 WeakPolarHBondContact OD1-CA 3.14Å; D265-N297 PolarHBondContact OD2-N 3.36Å; P292-N297 HydrophobicContact CB-CB 4Å; G294-N297 WeakPolarHBondContact CA-OD1 3.46Å; G294-N297 PolarHBondContact N-OD1 2.77Å; G294-N297 PolarHBondContact O-ND2 2.67Å; N297-L299 VanDerWaalsContact C-N 3.29Å; N297-S300 PolarHBondContact O-N 3.22Å; N297-Q301 VanDerWaalsContact O-CG 3.3Å; N297-Q301 WeakPolarHBondContact O-CG 3.48Å; N297-Q301 PolarHBondContact O-N 2.73Å; N297-Q301 PolarHBondContact O-NE2 2.64Å; N297-S307 PolarHBondContact ND2-O 2.9Å
298	D	94.5	Very high	90.3	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-35.9	-178.4	-69.4	-46.3	0	0	0	110.1	D265 Q301 T302 Y364 I444 K446 A448 G449 G450	D265-D298 PolarHBondContact OD1-N 3.41Å; D265-D298 PolarHBondContact OD2-N 2.83Å; D298-Q301 PolarHBondContact O-N 2.73Å; D298-T302 WeakPolarHBondContact O-CB 3.32Å; D298-T302 PolarHBondContact O-N 3.2Å; D298-T302 PolarHBondContact O-OG1 2.82Å; D298-Y364 HydrophobicContact CB-CE1 4.32Å; D298-Y364 PolarHBondContact OD2-OH 3.4Å; D298-I444 HydrophobicContact CB-CD1 3.95Å; D298-K446 HydrophobicContact CB-CB 4.34Å; D298-A448 PolarHBondContact OD2-N 3.16Å; D298-G449 VanDerWaalsContact OD1-CA 3.32Å; D298-G449 WeakPolarHBondContact OD1-CA 3.43Å; D298-G449 PolarHBondContact OD1-N 2.85Å; D298-G450 PolarHBondContact OD1-N 3.36Å
299	L	96.2	Very high	89.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.1	-46.8	173.7	-174.7	58.7	0	0	0	111.3	D265 V268 I290 N297 Q301 T302 M303 F330 I444 M550	D265-L299 VanDerWaalsContact OD1-CB 3.28Å; D265-L299 WeakPolarHBondContact OD1-CB 3.47Å; D265-L299 PolarHBondContact OD1-N 3.07Å; V268-L299 HydrophobicContact CB-CD2 4.27Å; V268-L299 HydrophobicContact CG1-CD2 3.85Å; I290-L299 HydrophobicContact CD1-CB 4.26Å; I290-L299 HydrophobicContact CD1-CD2 3.87Å; I290-L299 HydrophobicContact CD1-CG 3.69Å; N297-L299 VanDerWaalsContact C-N 3.29Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; L299-Q301 PolarHBondContact O-N 3.28Å; L299-T302 WeakPolarHBondContact O-CB 3.43Å; L299-T302 PolarHBondContact O-N 3Å; L299-M303 HydrophobicContact CD1-CE 3.79Å; L299-M303 HydrophobicContact CD1-CG 4.3Å; L299-M303 HydrophobicContact CG-CG 4.5Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 3.35Å; L299-F330 HydrophobicContact CD1-CE1 4.42Å; L299-F330 HydrophobicContact CD1-CE2 3.63Å; L299-F330 HydrophobicContact CD1-CZ 3.54Å; L299-I444 HydrophobicContact CB-CD1 4.42Å; L299-I444 HydrophobicContact CD1-CG2 4.08Å; L299-M550 HydrophobicContact CD2-CE 4.42Å
300	S	95.6	Very high	88.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.8	-43.9	176.1	179.6	0	0	0	0	112.4	P292 N297 M303 G304 W305 G306	P292-S300 WeakPolarHBondContact CB-OG 3.16Å; P292-S300 WeakPolarHBondContact CG-OG 3.47Å; N297-S300 PolarHBondContact O-N 3.22Å; S300-M303 CarbonylContact O-C 3.59Å; S300-M303 PolarHBondContact O-N 3.08Å; S300-G304 PolarHBondContact O-N 2.99Å; S300-W305 PolarHBondContact O-N 3.03Å; S300-W305 WeakPolarHBondContact OG-CB 3.47Å; S300-G306 CarbonylContact C-O 3.58Å; S300-G306 WeakPolarHBondContact CB-O 3.5Å; S300-G306 PolarHBondContact OG-O 3.45Å
301	Q	93.4	Very high	88	Confident	34 Å²	34	26.4 Å²	26.4	16%	0.159	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-37.1	176.5	-71.8	174.9	83.5	0	0	112.5	N297 D298 L299 M303 G304 G306 S307 K446	N297-Q301 VanDerWaalsContact O-CG 3.3Å; N297-Q301 WeakPolarHBondContact O-CG 3.48Å; N297-Q301 PolarHBondContact O-N 2.73Å; N297-Q301 PolarHBondContact O-NE2 2.64Å; D298-Q301 PolarHBondContact O-N 2.73Å; L299-Q301 VanDerWaalsContact C-N 3.3Å; L299-Q301 PolarHBondContact O-N 3.28Å; Q301-M303 VanDerWaalsContact C-N 3.29Å; Q301-G304 PolarHBondContact O-N 3.28Å; Q301-G306 VanDerWaalsContact CG-C 3.47Å; Q301-G306 WeakPolarHBondContact CG-O 3.28Å; Q301-G306 PolarHBondContact N-O 3.38Å; Q301-S307 VanDerWaalsContact CD-CB 3.46Å; Q301-K446 HydrophobicContact CB-CD 3.35Å; Q301-K446 HydrophobicContact CG-CD 4.49Å
302	T	94.4	Very high	87.4	Confident	12 Å²	12	29.9 Å²	29.9	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-37.6	176.6	-62.6	0	0	0	0	110.9	D298 L299 G304 I444 P445 Y483	D298-T302 WeakPolarHBondContact O-CB 3.32Å; D298-T302 PolarHBondContact O-N 3.2Å; D298-T302 PolarHBondContact O-OG1 2.82Å; L299-T302 WeakPolarHBondContact O-CB 3.43Å; L299-T302 PolarHBondContact O-N 3Å; T302-G304 VanDerWaalsContact C-N 3.25Å; T302-G304 PolarHBondContact O-N 3.2Å; T302-I444 HydrophobicContact CG2-CB 4.09Å; T302-I444 HydrophobicContact CG2-CG2 4.11Å; T302-P445 HydrophobicContact CG2-CG 4.08Å; T302-Y483 HydrophobicContact CG2-CD1 3.51Å; T302-Y483 HydrophobicContact CG2-CE1 3.33Å
303	M	94.8	Very high	87.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3.4	176.7	-63	-62.2	168	0	0	113.8	I290 L299 S300 Q301 W305 V328 F330 Y483 M550 K552 R553	I290-M303 HydrophobicContact CD1-CG 4.47Å; L299-M303 HydrophobicContact CD1-CE 3.79Å; L299-M303 HydrophobicContact CD1-CG 4.3Å; L299-M303 HydrophobicContact CG-CG 4.5Å; L299-M303 VanDerWaalsContact O-CG 3.31Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 3.35Å; S300-M303 CarbonylContact O-C 3.59Å; S300-M303 PolarHBondContact O-N 3.08Å; Q301-M303 VanDerWaalsContact C-N 3.29Å; M303-W305 VanDerWaalsContact C-N 3.33Å; M303-W305 PolarHBondContact O-N 2.97Å; M303-V328 HydrophobicContact CE-CG2 4.41Å; M303-V328 HydrophobicContact SD-CG2 3.97Å; M303-F330 HydrophobicContact CE-CB 4.29Å; M303-F330 HydrophobicContact CE-CD2 3.36Å; M303-F330 HydrophobicContact CE-CE2 3.77Å; M303-F330 HydrophobicContact CE-CG 3.95Å; M303-Y483 HydrophobicContact CE-CD2 4.44Å; M303-Y483 HydrophobicContact CE-CE2 4.39Å; M303-M550 HydrophobicContact CE-CB 3.81Å; M303-M550 HydrophobicContact CE-CE 3.99Å; M303-M550 HydrophobicContact CE-CG 3.81Å; M303-M550 HydrophobicContact CG-CE 3.9Å; M303-M550 HydrophobicContact SD-CB 3.88Å; M303-M550 HydrophobicContact SD-CE 4.21Å; M303-M550 HydrophobicContact SD-CG 4.46Å; M303-K552 CarbonylContact O-C 3.6Å; M303-K552 WeakPolarHBondContact O-CA 3.35Å; M303-K552 WeakPolarHBondContact O-CG 3.45Å; M303-R553 PolarHBondContact O-N 3.01Å
304	G	92.1	Very high	87.6	Confident	35 Å²	35	31.3 Å²	31.3	36%	0.361	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	3.2	176.2	0	0	0	0	0	115.6	S300 Q301 T302 G306	S300-G304 PolarHBondContact O-N 2.99Å; Q301-G304 PolarHBondContact O-N 3.28Å; T302-G304 VanDerWaalsContact C-N 3.25Å; T302-G304 PolarHBondContact O-N 3.2Å; G304-G306 PolarHBondContact O-N 2.89Å
305	W	93.1	Very high	88.5	Confident	19 Å²	19	32.1 Å²	32.1	7%	0.072	20%	0.195	C	C	.	.	S	Bend	trans	-81.4	-1.4	177.3	-60.7	108.5	0	0	0	113.5	A289 I290 S300 M303 V320 I321 L551 R553	A289-W305 HydrophobicContact CB-CZ2 4.03Å; I290-W305 WeakPolarHBondContact O-CB 3.31Å; I290-W305 VanDerWaalsContact O-CG 3.23Å; S300-W305 PolarHBondContact O-N 3.03Å; S300-W305 WeakPolarHBondContact OG-CB 3.47Å; M303-W305 VanDerWaalsContact C-N 3.33Å; M303-W305 PolarHBondContact O-N 2.97Å; W305-V320 HydrophobicContact CH2-CG1 3.99Å; W305-V320 HydrophobicContact CZ3-CG1 3.77Å; W305-I321 HydrophobicContact CH2-CB 4.22Å; W305-I321 HydrophobicContact CH2-CD1 4.48Å; W305-I321 HydrophobicContact CH2-CG1 3.33Å; W305-I321 HydrophobicContact CZ2-CG1 3.94Å; W305-I321 HydrophobicContact CZ3-CG1 3.75Å; W305-L551 HydrophobicContact CZ2-CB 4.48Å; W305-L551 PolarHBondContact NE1-O 3.32Å; W305-R553 HydrophobicContact CD2-CB 4.06Å; W305-R553 HydrophobicContact CE3-CB 4.1Å; W305-R553 HydrophobicContact CE3-CG 4.47Å; W305-R553 HydrophobicContact CH2-CB 4.01Å; W305-R553 HydrophobicContact CH2-CG 4.37Å; W305-R553 HydrophobicContact CZ2-CB 4.02Å; W305-R553 HydrophobicContact CZ3-CB 4.08Å; W305-R553 HydrophobicContact CZ3-CG 4.21Å
306	G	90.6	Very high	89.4	Confident	31 Å²	31	35.5 Å²	35.5	32%	0.32	21%	0.207	S	C	.	.			trans	79.3	-177.9	178.4	0	0	0	0	0	113.5	S300 Q301 G304	S300-G306 CarbonylContact C-O 3.58Å; S300-G306 WeakPolarHBondContact CB-O 3.5Å; S300-G306 PolarHBondContact OG-O 3.45Å; Q301-G306 VanDerWaalsContact CG-C 3.47Å; Q301-G306 WeakPolarHBondContact CG-O 3.28Å; Q301-G306 PolarHBondContact N-O 3.38Å; G304-G306 PolarHBondContact O-N 2.89Å
307	S	88.1	Confident	90.2	Very high	37 Å²	37	34.4 Å²	34.4	26%	0.259	20%	0.195	S	C	.	.	S	Bend	trans	-93.9	-12.9	-173	72.7	0	0	0	0	113.7	N297 Q301 R391	N297-S307 PolarHBondContact ND2-O 2.9Å; Q301-S307 VanDerWaalsContact CD-CB 3.46Å; S307-R391 PolarHBondContact O-NH1 2.98Å; S307-R391 PolarHBondContact O-NH2 2.85Å; S307-R391 VanDerWaalsContact O-NH2 3.08Å
308	T	86.5	Confident	90.4	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.209	19%	0.194	C	C	.	.			trans	-156.5	137.5	-170.3	-34.9	0	0	0	0	110.6	F310 R391	T308-F310 HydrophobicContact CG2-CE1 4.44Å; T308-F310 HydrophobicContact CG2-CZ 4.47Å; T308-F310 WeakPolarHBondContact O-CD2 3.36Å; T308-R391 PolarHBondContact OG1-NH1 3.2Å
309	Y	84.9	Confident	90.2	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.024	21%	0.208	C	C	.	.			trans	-79.7	117	164.1	-177.3	-108.7	0	0	0	110.9	K217 L221 V291 P292 L293 D311 E312 V317	K217-Y309 PolarHBondContact NZ-O 2.91Å; L221-Y309 HydrophobicContact CD1-CE1 4.13Å; V291-Y309 HydrophobicContact CG1-CD2 3.66Å; V291-Y309 HydrophobicContact CG1-CE2 4.16Å; V291-Y309 HydrophobicContact CG1-CG 4Å; P292-Y309 PolarHBondContact O-N 3.33Å; L293-Y309 HydrophobicContact CD2-CD1 4.02Å; L293-Y309 HydrophobicContact CD2-CG 4.28Å; Y309-D311 VanDerWaalsContact C-N 3.34Å; Y309-D311 PolarHBondContact O-N 2.74Å; Y309-E312 HydrophobicContact CD2-CG 4Å; Y309-E312 HydrophobicContact CE2-CG 3.52Å; Y309-E312 PolarHBondContact OH-O 3.31Å; Y309-V317 HydrophobicContact CE2-CG2 4.34Å
310	F	81.4	Confident	89.9	Confident	156 Å²	156	37.3 Å²	37.3	68%	0.684	21%	0.214	S	C	*	.			trans	-93.7	29.4	-175.8	-71	-75.8	0	0	0	113.9	T308 E312	T308-F310 HydrophobicContact CG2-CE1 4.44Å; T308-F310 HydrophobicContact CG2-CZ 4.47Å; T308-F310 WeakPolarHBondContact O-CD2 3.36Å; F310-E312 PolarHBondContact O-N 2.92Å; F310-E312 VanDerWaalsContact O-N 3.11Å
311	D	76.6	Confident	89.7	Confident	75 Å²	75	37.3 Å²	37.3	40%	0.401	21%	0.214	S	C	.	.	S	Bend	trans	53.6	30.6	-176.5	-55.1	-53.1	0	0	0	112.7	K217 Y309	K217-D311 WeakPolarHBondContact CE-OD2 3.26Å; K217-D311 IonicContact NZ-OD1 3.71Å; K217-D311 IonicContact NZ-OD2 2.73Å; K217-D311 PolarHBondContact NZ-OD2 3.37Å; Y309-D311 VanDerWaalsContact C-N 3.34Å; Y309-D311 PolarHBondContact O-N 2.74Å
312	E	82.5	Confident	89.3	Confident	76 Å²	76	36 Å²	36	36%	0.355	21%	0.209	S	C	.	.			trans	-59.8	167.5	167.3	60.3	-171.4	154.1	0	0	110.4	Y309 F310 I314 V317	Y309-E312 HydrophobicContact CD2-CG 4Å; Y309-E312 HydrophobicContact CE2-CG 3.52Å; Y309-E312 PolarHBondContact OH-O 3.31Å; F310-E312 PolarHBondContact O-N 2.92Å; F310-E312 VanDerWaalsContact O-N 3.11Å; E312-I314 PolarHBondContact O-N 2.83Å; E312-V317 HydrophobicContact CG-CG2 3.56Å; E312-V317 WeakPolarHBondContact OE1-CG2 3.48Å
313	S	90.6	Very high	88.8	Confident	42 Å²	42	38.4 Å²	38.4	29%	0.294	22%	0.219	S	C	.	.			trans	-64.6	113.1	176.9	174.6	0	0	0	0	109.6	A315 E316 V317	S313-A315 PolarHBondContact O-N 2.81Å; S313-A315 VanDerWaalsContact O-N 3.17Å; S313-E316 VanDerWaalsContact CB-CD 3.5Å; S313-E316 WeakPolarHBondContact O-CB 3.12Å; S313-E316 PolarHBondContact O-N 2.98Å; S313-E316 PolarHBondContact OG-N 2.95Å; S313-V317 PolarHBondContact O-N 3.21Å
314	I	93.3	Very high	88.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-26.1	176.6	-171.6	58.3	0	0	0	111.2	L221 E224 L225 L228 V291 E312 E316 V317 L318	L221-I314 HydrophobicContact CD1-CB 3.88Å; L221-I314 HydrophobicContact CD1-CD1 3.76Å; L221-I314 HydrophobicContact CD1-CG1 3.63Å; L221-I314 HydrophobicContact CD1-CG2 4.48Å; E224-I314 HydrophobicContact CB-CG2 4.36Å; E224-I314 HydrophobicContact CG-CG2 3.61Å; E224-I314 WeakPolarHBondContact OE1-CG2 3.35Å; L225-I314 HydrophobicContact CD2-CD1 4.39Å; L225-I314 HydrophobicContact CD2-CG1 3.62Å; L225-I314 HydrophobicContact CG-CG1 4.19Å; L228-I314 HydrophobicContact CD1-CG2 3.25Å; V291-I314 HydrophobicContact CG2-CD1 4.47Å; E312-I314 PolarHBondContact O-N 2.83Å; I314-E316 VanDerWaalsContact C-N 3.34Å; I314-V317 HydrophobicContact CD1-CB 4.05Å; I314-V317 HydrophobicContact CD1-CG1 4.14Å; I314-V317 PolarHBondContact O-N 3.5Å; I314-L318 HydrophobicContact CG1-CD1 4.46Å; I314-L318 HydrophobicContact CG1-CG 4.41Å; I314-L318 WeakPolarHBondContact O-CB 3.38Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 3.07Å
315	A	93	Very high	88.3	Confident	25 Å²	25	40.7 Å²	40.7	21%	0.207	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-39	172.8	0	0	0	0	0	112.1	L145 L228 S313 S319	L145-A315 HydrophobicContact CD1-CB 4.28Å; L145-A315 HydrophobicContact CD2-CB 4.48Å; L228-A315 HydrophobicContact CD1-CB 4.06Å; L228-A315 HydrophobicContact CD2-CB 4.35Å; S313-A315 PolarHBondContact O-N 2.81Å; S313-A315 VanDerWaalsContact O-N 3.17Å; A315-S319 PolarHBondContact O-N 3.42Å
316	E	91.6	Very high	88	Confident	127 Å²	127	42.2 Å²	42.2	59%	0.593	23%	0.23	S	C	*	.	H	α-helix	trans	-68	-43.3	174	-68.3	168.5	-175.9	0	0	110.7	S313 I314 L318 S319 V320	S313-E316 VanDerWaalsContact CB-CD 3.5Å; S313-E316 WeakPolarHBondContact O-CB 3.12Å; S313-E316 PolarHBondContact O-N 2.98Å; S313-E316 PolarHBondContact OG-N 2.95Å; I314-E316 VanDerWaalsContact C-N 3.34Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.22Å; E316-S319 WeakPolarHBondContact O-CA 3.44Å; E316-S319 WeakPolarHBondContact O-CB 3.47Å; E316-S319 PolarHBondContact O-N 3.05Å; E316-S319 VanDerWaalsContact O-N 3.1Å; E316-V320 WeakPolarHBondContact O-CG2 3.48Å; E316-V320 PolarHBondContact O-N 3.29Å
317	V	92.5	Very high	88.1	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-43.8	175.7	174.7	0	0	0	0	111.6	V291 Y309 E312 S313 I314 S319 V320 I321	V291-V317 HydrophobicContact CG2-CG1 4.09Å; Y309-V317 HydrophobicContact CE2-CG2 4.34Å; E312-V317 HydrophobicContact CG-CG2 3.56Å; E312-V317 WeakPolarHBondContact OE1-CG2 3.48Å; S313-V317 PolarHBondContact O-N 3.21Å; I314-V317 HydrophobicContact CD1-CB 4.05Å; I314-V317 HydrophobicContact CD1-CG1 4.14Å; I314-V317 PolarHBondContact O-N 3.5Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 2.96Å; V317-V320 PolarHBondContact O-N 3.22Å; V317-I321 HydrophobicContact CG1-CD1 3.93Å; V317-I321 HydrophobicContact CG1-CG1 4.5Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.45Å; V317-I321 PolarHBondContact O-N 2.98Å
318	L	93	Very high	88.2	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-38.5	175.3	-69.7	171	0	0	0	111.7	V148 L205 I207 L225 V229 I314 E316 I321 V322	V148-L318 HydrophobicContact CG1-CB 4.37Å; V148-L318 HydrophobicContact CG1-CD1 4.18Å; V148-L318 HydrophobicContact CG1-CD2 4.31Å; V148-L318 HydrophobicContact CG2-CB 4.38Å; L205-L318 HydrophobicContact CD2-CD2 3.59Å; I207-L318 HydrophobicContact CD1-CD2 4.01Å; L225-L318 HydrophobicContact CD2-CD1 4.05Å; V229-L318 HydrophobicContact CG1-CD1 4.24Å; I314-L318 HydrophobicContact CG1-CD1 4.46Å; I314-L318 HydrophobicContact CG1-CG 4.41Å; I314-L318 WeakPolarHBondContact O-CB 3.38Å; I314-L318 WeakPolarHBondContact O-CG 3.47Å; I314-L318 PolarHBondContact O-N 3.07Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.22Å; L318-I321 PolarHBondContact O-N 3.28Å; L318-V322 PolarHBondContact O-N 3.17Å; L318-V322 VanDerWaalsContact O-N 3.16Å
319	S	90.1	Very high	88.6	Confident	44 Å²	44	46.2 Å²	46.2	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-47.3	173.3	-176.4	0	0	0	0	111.6	A315 E316 V317 I321 V322 H323	A315-S319 PolarHBondContact O-N 3.42Å; E316-S319 WeakPolarHBondContact O-CA 3.44Å; E316-S319 WeakPolarHBondContact O-CB 3.47Å; E316-S319 PolarHBondContact O-N 3.05Å; E316-S319 VanDerWaalsContact O-N 3.1Å; V317-S319 VanDerWaalsContact C-N 3.31Å; V317-S319 PolarHBondContact O-N 2.96Å; S319-I321 VanDerWaalsContact C-N 3.3Å; S319-I321 PolarHBondContact O-N 3.23Å; S319-V322 PolarHBondContact O-N 3.19Å; S319-V322 VanDerWaalsContact O-N 3.12Å; S319-H323 WeakPolarHBondContact O-CB 3.48Å; S319-H323 PolarHBondContact O-N 3.34Å; S319-H323 PolarHBondContact O-ND1 3.47Å; S319-H323 PolarHBondContact OG-ND1 3.04Å; S319-H323 VanDerWaalsContact OG-ND1 3.09Å
320	V	89.3	Confident	89.1	Confident	21 Å²	21	45.9 Å²	45.9	13%	0.127	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-39.4	177	170	0	0	0	0	111.1	W305 E316 V317 V322 D324 S325 R553	W305-V320 HydrophobicContact CH2-CG1 3.99Å; W305-V320 HydrophobicContact CZ3-CG1 3.77Å; E316-V320 WeakPolarHBondContact O-CG2 3.48Å; E316-V320 PolarHBondContact O-N 3.29Å; V317-V320 PolarHBondContact O-N 3.22Å; V320-V322 VanDerWaalsContact C-N 3.3Å; V320-V322 PolarHBondContact O-N 2.97Å; V320-D324 HydrophobicContact CB-CB 4.46Å; V320-D324 HydrophobicContact CG1-CB 4.04Å; V320-D324 CarbonylContact O-C 3.45Å; V320-D324 VanDerWaalsContact O-C 3.27Å; V320-D324 WeakPolarHBondContact O-CA 3.47Å; V320-D324 PolarHBondContact O-N 2.91Å; V320-S325 PolarHBondContact O-N 3.27Å; V320-R553 HydrophobicContact CG1-CG 4Å
321	I	91.1	Very high	89.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-38.9	175.7	-72.2	166.7	0	0	0	111.6	L205 V260 A289 W305 V317 L318 S319 S325 L551	L205-I321 HydrophobicContact CD1-CG2 4.49Å; V260-I321 HydrophobicContact CG1-CD1 4Å; V260-I321 HydrophobicContact CG2-CD1 3.83Å; V260-I321 HydrophobicContact CG2-CG2 4.29Å; A289-I321 HydrophobicContact CB-CD1 3.95Å; A289-I321 HydrophobicContact CB-CG1 3.91Å; A289-I321 HydrophobicContact CB-CG2 3.97Å; W305-I321 HydrophobicContact CH2-CB 4.22Å; W305-I321 HydrophobicContact CH2-CD1 4.48Å; W305-I321 HydrophobicContact CH2-CG1 3.33Å; W305-I321 HydrophobicContact CZ2-CG1 3.94Å; W305-I321 HydrophobicContact CZ3-CG1 3.75Å; V317-I321 HydrophobicContact CG1-CD1 3.93Å; V317-I321 HydrophobicContact CG1-CG1 4.5Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.45Å; V317-I321 PolarHBondContact O-N 2.98Å; L318-I321 PolarHBondContact O-N 3.28Å; S319-I321 VanDerWaalsContact C-N 3.3Å; S319-I321 PolarHBondContact O-N 3.23Å; I321-S325 PolarHBondContact O-OG 3.04Å; I321-L551 HydrophobicContact CG2-CD1 3.9Å
322	V	85.7	Confident	90.9	Very high	7 Å²	7	35 Å²	35	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-80.6	-43	-178.9	175.4	0	0	0	0	112	D147 V148 R258 L318 S319 V320 L573	D147-V322 HydrophobicContact CB-CG1 4.35Å; V148-V322 HydrophobicContact CG2-CG2 3.76Å; R258-V322 PolarHBondContact NH1-O 3.18Å; L318-V322 PolarHBondContact O-N 3.17Å; L318-V322 VanDerWaalsContact O-N 3.16Å; S319-V322 PolarHBondContact O-N 3.19Å; S319-V322 VanDerWaalsContact O-N 3.12Å; V320-V322 VanDerWaalsContact C-N 3.3Å; V320-V322 PolarHBondContact O-N 2.97Å; V322-L573 HydrophobicContact CG1-CD1 4.47Å
323	H	84.2	Confident	91.7	Very high	63 Å²	63	31.4 Å²	31.4	29%	0.292	16%	0.164	S	C	.	.	H	α-helix	trans	-103	-31.6	-166.2	-55.6	116.1	0	0	0	114.3	D147 S319 A572	D147-H323 IonicContact OD2-NE2 3.8Å; S319-H323 WeakPolarHBondContact O-CB 3.48Å; S319-H323 PolarHBondContact O-N 3.34Å; S319-H323 PolarHBondContact O-ND1 3.47Å; S319-H323 PolarHBondContact OG-ND1 3.04Å; S319-H323 VanDerWaalsContact OG-ND1 3.09Å; H323-A572 VanDerWaalsContact O-CB 3.23Å; H323-A572 WeakPolarHBondContact O-CB 3.24Å
324	D	86	Confident	92.1	Very high	81 Å²	81	32.4 Å²	32.4	43%	0.433	16%	0.163	S	C	.	.	S	Bend	trans	-121.7	30.1	-168.7	-51.5	-48.8	0	0	0	112.4	V320 I554	V320-D324 HydrophobicContact CB-CB 4.46Å; V320-D324 HydrophobicContact CG1-CB 4.04Å; V320-D324 CarbonylContact O-C 3.45Å; V320-D324 VanDerWaalsContact O-C 3.27Å; V320-D324 WeakPolarHBondContact O-CA 3.47Å; V320-D324 PolarHBondContact O-N 2.91Å; D324-I554 PolarHBondContact O-N 3.3Å
325	S	90	Very high	92.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153	176.2	79.2	0	0	0	0	111.7	V320 I321 K552	V320-S325 PolarHBondContact O-N 3.27Å; I321-S325 PolarHBondContact O-OG 3.04Å; S325-K552 CarbonylContact C-O 3.56Å; S325-K552 VanDerWaalsContact CA-O 3.29Å; S325-K552 WeakPolarHBondContact CA-O 3.18Å
326	K	88.1	Confident	92.5	Very high	50 Å²	50	34.9 Å²	34.9	22%	0.217	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.5	174.4	65.7	175.4	178	-176.7	0	112.6	V328 L551 K552 I554 E558 Y571	K326-V328 HydrophobicContact CG-CG1 4.23Å; K326-L551 CarbonylContact O-C 3.55Å; K326-L551 WeakPolarHBondContact O-CA 3.39Å; K326-K552 HydrophobicContact CG-CB 4.07Å; K326-K552 PolarHBondContact N-O 2.8Å; K326-K552 PolarHBondContact O-N 3.2Å; K326-I554 HydrophobicContact CB-CD1 4.23Å; K326-I554 HydrophobicContact CB-CG1 4.24Å; K326-I554 HydrophobicContact CD-CG1 4.45Å; K326-I554 HydrophobicContact CG-CG1 4.15Å; K326-E558 IonicContact NZ-OE1 3.32Å; K326-Y571 VanDerWaalsContact CA-CB 3.4Å; K326-Y571 HydrophobicContact CB-CD2 3.71Å; K326-Y571 HydrophobicContact CB-CG 3.61Å; K326-Y571 HydrophobicContact CD-CD2 4.3Å
327	I	91.2	Very high	92.8	Very high	42 Å²	42	30.2 Å²	30.2	22%	0.215	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.5	173.9	-60.6	175.4	0	0	0	108.4	P287 P549 M550 L551 Y571	P287-I327 HydrophobicContact CB-CD1 4.45Å; P287-I327 HydrophobicContact CB-CG1 4.26Å; P287-I327 HydrophobicContact CG-CD1 4.29Å; I327-P549 HydrophobicContact CG2-CB 3.65Å; I327-M550 CarbonylContact C-O 3.59Å; I327-M550 WeakPolarHBondContact CA-O 3.45Å; I327-L551 HydrophobicContact CG1-CD2 3.87Å; I327-Y571 HydrophobicContact CB-CD1 4.05Å; I327-Y571 HydrophobicContact CB-CE1 4.48Å; I327-Y571 WeakPolarHBondContact O-CE1 3.48Å
328	V	91.9	Very high	93	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.8	172.7	-61.6	0	0	0	0	109.8	M303 K326 F330 Y483 E484 P549 M550 K552	M303-V328 HydrophobicContact CE-CG2 4.41Å; M303-V328 HydrophobicContact SD-CG2 3.97Å; K326-V328 HydrophobicContact CG-CG1 4.23Å; V328-F330 PolarHBondContact O-N 3.03Å; V328-Y483 HydrophobicContact CB-CE2 4.25Å; V328-Y483 HydrophobicContact CG2-CE2 3.97Å; V328-E484 WeakPolarHBondContact CA-OE2 3.09Å; V328-E484 WeakPolarHBondContact CB-OE2 3.43Å; V328-P549 CarbonylContact O-C 3.52Å; V328-P549 WeakPolarHBondContact O-CA 3.49Å; V328-M550 HydrophobicContact CG2-CB 3.77Å; V328-M550 PolarHBondContact N-O 3.41Å; V328-M550 PolarHBondContact O-N 3.45Å; V328-K552 HydrophobicContact CG1-CB 3.85Å; V328-K552 HydrophobicContact CG1-CD 4.17Å; V328-K552 HydrophobicContact CG2-CB 4.19Å
329	K	93.5	Very high	93	Very high	141 Å²	141	36 Å²	36	61%	0.613	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	85.9	-178.9	-68.4	-176.2	-178.6	179.4	0	109.7	E484 V548	K329-E484 PolarHBondContact N-OE2 2.84Å; K329-E484 WeakPolarHBondContact O-CA 3.34Å; K329-E484 WeakPolarHBondContact O-CB 3.5Å; K329-E484 WeakPolarHBondContact O-CG 3.35Å; K329-V548 CarbonylContact C-O 3.58Å
330	F	96.6	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.7	-176	-178.7	-110.4	0	0	0	112.8	F272 L299 M303 V328 R332 N362 N443 I444 Y483 K547 V548 M550	F272-F330 HydrophobicContact CE2-CD1 4.49Å; F272-F330 HydrophobicContact CE2-CE1 4.3Å; F272-F330 HydrophobicContact CZ-CD1 4.37Å; L299-F330 HydrophobicContact CD1-CE1 4.42Å; L299-F330 HydrophobicContact CD1-CE2 3.63Å; L299-F330 HydrophobicContact CD1-CZ 3.54Å; M303-F330 HydrophobicContact CE-CB 4.29Å; M303-F330 HydrophobicContact CE-CD2 3.36Å; M303-F330 HydrophobicContact CE-CE2 3.77Å; M303-F330 HydrophobicContact CE-CG 3.95Å; V328-F330 PolarHBondContact O-N 3.03Å; F330-R332 HydrophobicContact CD1-CG 4.02Å; F330-R332 HydrophobicContact CE1-CG 4.09Å; F330-N362 HydrophobicContact CE1-CB 4.1Å; F330-N362 HydrophobicContact CZ-CB 4.33Å; F330-N362 WeakPolarHBondContact CZ-O 3.4Å; F330-N443 WeakPolarHBondContact CZ-ND2 3.02Å; F330-I444 HydrophobicContact CE2-CG2 3.6Å; F330-I444 HydrophobicContact CZ-CG2 4.11Å; F330-Y483 WeakPolarHBondContact CA-O 3.47Å; F330-Y483 HydrophobicContact CD2-CD2 4.01Å; F330-Y483 HydrophobicContact CD2-CG 4.16Å; F330-Y483 HydrophobicContact CE2-CG 4.5Å; F330-K547 CarbonylContact O-C 3.59Å; F330-K547 WeakPolarHBondContact O-CA 3.38Å; F330-V548 HydrophobicContact CB-CG2 4.18Å; F330-V548 WeakPolarHBondContact CB-O 3.27Å; F330-V548 HydrophobicContact CD1-CG2 3.95Å; F330-V548 PolarHBondContact N-O 3.48Å; F330-V548 PolarHBondContact O-N 3.27Å; F330-M550 HydrophobicContact CB-CB 4.13Å; F330-M550 HydrophobicContact CB-CG 3.47Å; F330-M550 VanDerWaalsContact CB-CG 3.47Å; F330-M550 HydrophobicContact CD1-CG 4.14Å; F330-M550 HydrophobicContact CG-CG 3.85Å
331	D	97.7	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141	179.2	-66.8	-23.6	0	0	0	111.9	N443 Y483 E484 D485 G486 L544 K547	D331-N443 WeakPolarHBondContact CB-OD1 3.42Å; D331-N443 PolarHBondContact O-ND2 3.19Å; D331-Y483 WeakPolarHBondContact CB-O 3.43Å; D331-Y483 VanDerWaalsContact CG-O 3.31Å; D331-Y483 PolarHBondContact N-O 2.81Å; D331-E484 VanDerWaalsContact OD2-C 3.28Å; D331-E484 WeakPolarHBondContact OD2-CA 3.45Å; D331-D485 PolarHBondContact OD2-N 3.17Å; D331-G486 VanDerWaalsContact OD2-CA 3.24Å; D331-G486 WeakPolarHBondContact OD2-CA 3.25Å; D331-G486 PolarHBondContact OD2-N 2.86Å; D331-L544 HydrophobicContact CB-CD1 4Å; D331-K547 WeakPolarHBondContact OD1-CD 3.37Å; D331-K547 VanDerWaalsContact OD1-CE 3.22Å; D331-K547 WeakPolarHBondContact OD1-CE 3.34Å; D331-K547 WeakPolarHBondContact OD1-CG 3.26Å; D331-K547 IonicContact OD1-NZ 3.31Å; D331-K547 PolarHBondContact OD1-NZ 3.35Å; D331-K547 IonicContact OD2-NZ 3.56Å; D331-K547 PolarHBondContact OD2-NZ 3.38Å
332	R	97.9	Very high	93.1	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.4	173.5	-62.9	179.2	62.3	-142.8	-1.2	108.2	D276 F330 V360 N362 F545 C546 V548	D276-R332 VanDerWaalsContact CG-NH1 3.3Å; D276-R332 IonicContact OD1-CZ 2.56Å; D276-R332 IonicContact OD1-NH1 2.59Å; D276-R332 PolarHBondContact OD1-NH1 3.14Å; D276-R332 IonicContact OD1-NH2 3.25Å; D276-R332 IonicContact OD2-CZ 2.81Å; D276-R332 VanDerWaalsContact OD2-CZ 3.31Å; D276-R332 IonicContact OD2-NH1 2.97Å; D276-R332 PolarHBondContact OD2-NH1 2.66Å; D276-R332 VanDerWaalsContact OD2-NH1 3.08Å; D276-R332 IonicContact OD2-NH2 2.7Å; D276-R332 PolarHBondContact OD2-NH2 2.78Å; F330-R332 HydrophobicContact CD1-CG 4.02Å; F330-R332 HydrophobicContact CE1-CG 4.09Å; R332-V360 HydrophobicContact CB-CG1 4.4Å; R332-N362 PolarHBondContact NE-OD1 3.36Å; R332-F545 HydrophobicContact CB-CD1 4.42Å; R332-F545 WeakPolarHBondContact O-CA 3.23Å; R332-F545 VanDerWaalsContact O-CB 3.28Å; R332-F545 WeakPolarHBondContact O-CB 3.39Å; R332-F545 PolarHBondContact O-N 3.41Å; R332-C546 PolarHBondContact N-O 3.47Å; R332-C546 PolarHBondContact O-N 3.33Å; R332-V548 HydrophobicContact CG-CG2 4.08Å
333	W	98.5	Very high	93	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.4	-167.7	-64	85.1	0	0	0	111.1	V360 M361 N443 G486 R487 I488 C514 I542 S543 L544	W333-V360 CarbonylContact O-C 3.57Å; W333-V360 VanDerWaalsContact O-CA 3.3Å; W333-V360 WeakPolarHBondContact O-CA 3.47Å; W333-M361 HydrophobicContact CB-CB 4.26Å; W333-M361 HydrophobicContact CB-CE 3.79Å; W333-M361 HydrophobicContact CG-CE 3.78Å; W333-M361 PolarHBondContact N-O 2.84Å; W333-M361 PolarHBondContact O-N 2.88Å; W333-N443 VanDerWaalsContact NE1-CG 3.34Å; W333-N443 PolarHBondContact NE1-OD1 2.97Å; W333-G486 VanDerWaalsContact CH2-O 3.28Å; W333-G486 WeakPolarHBondContact CH2-O 3.46Å; W333-R487 WeakPolarHBondContact CZ2-O 3.36Å; W333-I488 HydrophobicContact CD2-CG2 3.54Å; W333-I488 HydrophobicContact CE3-CG2 3.9Å; W333-I488 HydrophobicContact CG-CG2 4.07Å; W333-I488 HydrophobicContact CH2-CG1 4.38Å; W333-I488 HydrophobicContact CH2-CG2 3.92Å; W333-I488 HydrophobicContact CZ2-CB 4.47Å; W333-I488 HydrophobicContact CZ2-CG2 3.59Å; W333-I488 HydrophobicContact CZ3-CG1 4.36Å; W333-I488 HydrophobicContact CZ3-CG2 4.06Å; W333-C514 WeakPolarHBondContact CZ3-O 3.46Å; W333-I542 HydrophobicContact CB-CG2 3.93Å; W333-I542 HydrophobicContact CD2-CG2 4.45Å; W333-I542 HydrophobicContact CE3-CG2 3.97Å; W333-I542 HydrophobicContact CG-CG2 4.45Å; W333-S543 CarbonylContact C-O 3.58Å; W333-S543 WeakPolarHBondContact CA-O 3.4Å; W333-L544 HydrophobicContact CE3-CB 4.39Å; W333-L544 VanDerWaalsContact CE3-N 3.32Å; W333-L544 HydrophobicContact CH2-CB 4.4Å; W333-L544 HydrophobicContact CZ2-CD1 4.16Å; W333-L544 HydrophobicContact CZ3-CB 4.17Å
334	F	98.2	Very high	92.5	Very high	62 Å²	62	52.7 Å²	52.7	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.2	175	-174.6	-109.9	0	0	0	108.6	D336 N359 V360 I542 S543 F545	F334-D336 HydrophobicContact CD1-CB 4.25Å; F334-D336 HydrophobicContact CE1-CB 3.77Å; F334-N359 WeakPolarHBondContact CD2-O 3.38Å; F334-N359 HydrophobicContact CE2-CB 4.23Å; F334-N359 WeakPolarHBondContact CE2-ND2 3.2Å; F334-V360 HydrophobicContact CD2-CG2 4.42Å; F334-I542 WeakPolarHBondContact O-CA 3.4Å; F334-S543 PolarHBondContact N-O 3.28Å; F334-S543 PolarHBondContact O-N 3.21Å; F334-S543 VanDerWaalsContact O-N 3.1Å; F334-F545 HydrophobicContact CB-CB 3.96Å; F334-F545 HydrophobicContact CB-CD2 4.2Å; F334-F545 HydrophobicContact CB-CG 4.41Å; F334-F545 HydrophobicContact CD2-CD2 4.43Å
335	I	98.4	Very high	91.5	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	110.6	174.5	-53.5	173.3	0	0	0	107.8	V337 L356 N359 M361 F365 V528 I540 T541 I542	I335-V337 HydrophobicContact CG2-CG2 4.07Å; I335-L356 HydrophobicContact CB-CD1 4.14Å; I335-L356 HydrophobicContact CD1-CD1 4.46Å; I335-L356 HydrophobicContact CG2-CD1 3.49Å; I335-L356 VanDerWaalsContact CG2-CD1 3.49Å; I335-N359 PolarHBondContact N-O 3.47Å; I335-M361 HydrophobicContact CD1-CB 3.71Å; I335-M361 HydrophobicContact CD1-SD 4.49Å; I335-M361 HydrophobicContact CG1-CB 4.19Å; I335-F365 HydrophobicContact CD1-CB 4.32Å; I335-F365 HydrophobicContact CD1-CD2 3.83Å; I335-F365 HydrophobicContact CD1-CG 4.46Å; I335-V528 HydrophobicContact CD1-CG1 3.73Å; I335-V528 HydrophobicContact CD1-CG2 3.94Å; I335-I540 HydrophobicContact CG2-CG2 3.59Å; I335-T541 WeakPolarHBondContact CA-O 3.32Å; I335-I542 HydrophobicContact CG1-CD1 4.48Å; I335-I542 HydrophobicContact CG1-CG1 4.17Å; I335-I542 HydrophobicContact CG1-CG2 4.5Å; I335-I542 HydrophobicContact CG2-CG1 4.41Å
336	D	97.7	Very high	90.3	Very high	75 Å²	75	58 Å²	58	40%	0.401	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.9	171.9	-169.3	49	0	0	0	109.9	F334 I540 T541	F334-D336 HydrophobicContact CD1-CB 4.25Å; F334-D336 HydrophobicContact CE1-CB 3.77Å; D336-I540 CarbonylContact O-C 3.57Å; D336-I540 WeakPolarHBondContact O-CA 3.49Å; D336-T541 WeakPolarHBondContact CB-OG1 3.32Å; D336-T541 PolarHBondContact N-O 2.81Å; D336-T541 PolarHBondContact O-N 3.26Å
337	V	97.5	Very high	89	Confident	29 Å²	29	60.7 Å²	60.7	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.2	-179	-179.7	0	0	0	0	109.2	I335 L356 L535 I540	I335-V337 HydrophobicContact CG2-CG2 4.07Å; V337-L356 HydrophobicContact CG2-CD1 3.48Å; V337-L356 VanDerWaalsContact CG2-CD1 3.48Å; V337-L356 HydrophobicContact CG2-CG 3.75Å; V337-L535 HydrophobicContact CG1-CD1 4.14Å; V337-L535 HydrophobicContact CG1-CD2 4.06Å; V337-I540 HydrophobicContact CG2-CG1 4.22Å; V337-I540 HydrophobicContact CG2-CG2 4.29Å
338	S	95.7	Very high	87.5	Confident	47 Å²	47	66.4 Å²	66.4	33%	0.329	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.3	174.6	53.3	0	0	0	0	110.2	S538 V539	S338-S538 CarbonylContact O-C 3.5Å; S338-S538 WeakPolarHBondContact O-CA 3.34Å; S338-S538 WeakPolarHBondContact O-CB 3.49Å; S338-V539 PolarHBondContact N-O 3.05Å; S338-V539 PolarHBondContact O-N 2.83Å; S338-V539 PolarHBondContact OG-O 3.34Å
339	P	94.4	Very high	86.1	Confident	82 Å²	82	68.4 Å²	68.4	53%	0.532	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	140.9	174.5	-24.3	34.3	0	0	0	111.7	S341	P339-S341 PolarHBondContact O-N 2.86Å
340	N	94.1	Very high	84.4	Confident	9 Å²	9	70.7 Å²	70.7	5%	0.048	39%	0.391	C	S	.	.			trans	-79.5	106.1	175.7	-172.8	-3.4	0	0	0	110.3	D342 I343 T520 P537 V539	N340-D342 PolarHBondContact O-N 3.48Å; N340-D342 WeakPolarHBondContact OD1-CB 3.45Å; N340-D342 PolarHBondContact OD1-N 3.28Å; N340-D342 VanDerWaalsContact OD1-N 3.15Å; N340-I343 PolarHBondContact O-N 3.02Å; N340-T520 PolarHBondContact ND2-O 2.93Å; N340-P537 HydrophobicContact CB-CB 4.35Å; N340-P537 PolarHBondContact N-O 3.25Å; N340-V539 HydrophobicContact CB-CG2 4.28Å
341	S	89.5	Confident	83.3	Confident	110 Å²	110	79.3 Å²	79.3	77%	0.769	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.6	-179.2	52.4	0	0	0	0	114.5	P339 I343	P339-S341 PolarHBondContact O-N 2.86Å; S341-I343 PolarHBondContact O-N 3.23Å
342	D	88	Confident	82.8	Confident	132 Å²	132	80.5 Å²	80.5	71%	0.706	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.5	-177.2	-57.5	-22.2	0	0	0	112.7	N340	N340-D342 PolarHBondContact O-N 3.48Å; N340-D342 WeakPolarHBondContact OD1-CB 3.45Å; N340-D342 PolarHBondContact OD1-N 3.28Å; N340-D342 VanDerWaalsContact OD1-N 3.15Å
343	I	83.7	Confident	82.3	Confident	50 Å²	50	82 Å²	82	26%	0.256	45%	0.451	S	S	.	.	S	Bend	trans	-126.2	123.1	-175.8	-55.6	-73.7	0	0	0	108.6	N340 S341 K345 R521 P537	N340-I343 PolarHBondContact O-N 3.02Å; S341-I343 PolarHBondContact O-N 3.23Å; I343-K345 PolarHBondContact O-N 3.21Å; I343-R521 HydrophobicContact CD1-CB 3.8Å; I343-R521 HydrophobicContact CD1-CG 3.84Å; I343-R521 HydrophobicContact CG1-CB 4.29Å; I343-R521 HydrophobicContact CG1-CG 4.29Å; I343-P537 HydrophobicContact CB-CB 4.41Å; I343-P537 HydrophobicContact CG2-CB 4.32Å; I343-P537 HydrophobicContact CG2-CG 4.34Å
344	E	73.1	Confident	81.9	Confident	186 Å²	186	86.1 Å²	86.1	87%	0.869	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.7	131.2	168	-71.1	-175.5	170.2	0	0	109.5	P346	E344-P346 VanDerWaalsContact O-CD 3.25Å; E344-P346 WeakPolarHBondContact O-CD 3.34Å; E344-P346 VanDerWaalsContact O-N 3.1Å
345	K	65.9	Low	81.6	Confident	131 Å²	131	87.1 Å²	87.1	57%	0.57	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-54.6	117.6	177.5	-80.4	-165	170.5	-155.6	0	109.2	I343 D354	I343-K345 PolarHBondContact O-N 3.21Å; K345-D354 IonicContact NZ-OD1 2.9Å; K345-D354 PolarHBondContact NZ-OD1 3.48Å; K345-D354 IonicContact NZ-OD2 3.93Å
346	P	64	Low	81.4	Confident	64 Å²	64	87.9 Å²	87.9	42%	0.416	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60.8	142.2	177	-19.2	30.4	0	0	0	110.7	E344 D348	E344-P346 VanDerWaalsContact O-CD 3.25Å; E344-P346 WeakPolarHBondContact O-CD 3.34Å; E344-P346 VanDerWaalsContact O-N 3.1Å; P346-D348 PolarHBondContact O-N 3.22Å; P346-D348 VanDerWaalsContact O-N 3.16Å
347	A	60.9	Low	81	Confident	106 Å²	106	87.9 Å²	87.9	88%	0.876	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.8	-177.4	0	0	0	0	0	114.4	E349	A347-E349 PolarHBondContact O-N 3.46Å
348	D	60.1	Low	80.8	Confident	161 Å²	161	89.1 Å²	89.1	86%	0.861	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	39.7	-171.3	-70	-28.9	0	0	0	114.4	P346 E350	P346-D348 PolarHBondContact O-N 3.22Å; P346-D348 VanDerWaalsContact O-N 3.16Å; D348-E350 PolarHBondContact O-N 3.34Å
349	E	62	Low	80.8	Confident	46 Å²	46	91 Å²	91	22%	0.215	51%	0.509	C	S	.	.			trans	-96.2	38	-173.5	-76.8	-164.1	161.2	0	0	115.9	A347 K351 A352 V523 P537	A347-E349 PolarHBondContact O-N 3.46Å; E349-K351 PolarHBondContact O-N 3.37Å; E349-A352 HydrophobicContact CG-CB 4.42Å; E349-V523 HydrophobicContact CG-CG2 4.3Å; E349-V523 WeakPolarHBondContact OE1-CG2 3.13Å; E349-P537 WeakPolarHBondContact OE1-CD 3.27Å
350	E	58.6	Low	80.9	Confident	188 Å²	188	88 Å²	88	88%	0.879	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.6	-174.3	-136.1	-176.7	-166.2	0	0	114.9	D348	D348-E350 PolarHBondContact O-N 3.34Å
351	K	74.6	Confident	81.1	Confident	181 Å²	181	87.6 Å²	87.6	79%	0.787	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.5	20.5	-178.8	-62.1	-172.6	-178.9	176.8	0	116.6	E349	E349-K351 PolarHBondContact O-N 3.37Å
352	A	85.6	Confident	81.5	Confident	25 Å²	25	82.6 Å²	82.6	21%	0.207	45%	0.452	C	S	.	.			trans	-91.9	140.3	174.5	0	0	0	0	0	111	E349 V523 A536	E349-A352 HydrophobicContact CG-CB 4.42Å; A352-V523 HydrophobicContact CB-CG1 3.93Å; A352-V523 HydrophobicContact CB-CG2 3.93Å; A352-A536 HydrophobicContact CB-CB 4.15Å
353	A	88.8	Confident	81.9	Confident	35 Å²	35	76.3 Å²	76.3	29%	0.289	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-89.4	136.7	174.9	0	0	0	0	0	110.4	S355 K534 L535 A536	A353-S355 VanDerWaalsContact C-N 3.3Å; A353-K534 PolarHBondContact N-O 3.49Å; A353-L535 WeakPolarHBondContact O-CD1 3.34Å; A353-A536 PolarHBondContact O-N 3.12Å
354	D	89	Confident	82.6	Confident	87 Å²	87	74.8 Å²	74.8	47%	0.465	41%	0.41	S	S	.	.	S	Bend	trans	-79.4	-12.8	172.4	-67.9	-63	0	0	0	112.4	K345	K345-D354 IonicContact NZ-OD1 2.9Å; K345-D354 PolarHBondContact NZ-OD1 3.48Å; K345-D354 IonicContact NZ-OD2 3.93Å
355	S	92.2	Very high	83.8	Confident	82 Å²	82	66 Å²	66	57%	0.573	37%	0.369	S	S	*	.	S	Bend	trans	-141.4	158.3	-178.2	68	0	0	0	0	112.4	A353	A353-S355 VanDerWaalsContact C-N 3.3Å
356	L	93.7	Very high	85.3	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	34%	0.341	C	S	.	.			trans	-75.3	150	173.6	-64.6	171.3	0	0	0	111.5	I335 V337 V358 F365 V526 V528 L535	I335-L356 HydrophobicContact CB-CD1 4.14Å; I335-L356 HydrophobicContact CD1-CD1 4.46Å; I335-L356 HydrophobicContact CG2-CD1 3.49Å; I335-L356 VanDerWaalsContact CG2-CD1 3.49Å; V337-L356 HydrophobicContact CG2-CD1 3.48Å; V337-L356 VanDerWaalsContact CG2-CD1 3.48Å; V337-L356 HydrophobicContact CG2-CG 3.75Å; L356-V358 VanDerWaalsContact CB-O 3.3Å; L356-V358 WeakPolarHBondContact CB-O 3.46Å; L356-V358 PolarHBondContact O-N 3.16Å; L356-F365 HydrophobicContact CD1-CE2 4.49Å; L356-V526 HydrophobicContact CD2-CG2 3.53Å; L356-V528 HydrophobicContact CD1-CG2 4.07Å; L356-V528 HydrophobicContact CD2-CG2 4.32Å; L356-L535 HydrophobicContact CD2-CD1 4.19Å; L356-L535 HydrophobicContact CD2-CD2 4.45Å
357	P	90.5	Very high	86.8	Confident	75 Å²	75	56.7 Å²	56.7	49%	0.487	32%	0.322	S	S	.	.	S	Bend	trans	-66.4	-27.9	174	27	-34.4	0	0	0	112.7	E531	P357-E531 HydrophobicContact CG-CB 4.14Å
358	V	92.5	Very high	88.4	Confident	54 Å²	54	51.6 Å²	51.6	33%	0.327	28%	0.28	S	S	.	.			trans	-137.2	138.7	174.4	-63.8	0	0	0	0	109.2	L356 V528	L356-V358 VanDerWaalsContact CB-O 3.3Å; L356-V358 WeakPolarHBondContact CB-O 3.46Å; L356-V358 PolarHBondContact O-N 3.16Å; V358-V528 HydrophobicContact CG2-CB 3.64Å; V358-V528 HydrophobicContact CG2-CG1 3.79Å; V358-V528 HydrophobicContact CG2-CG2 4.4Å
359	N	95.2	Very high	89.9	Confident	86 Å²	86	44.4 Å²	44.4	46%	0.46	24%	0.242	S	C	.	.	S	Bend	trans	-109.5	5.7	-177.5	63.7	-14.1	0	0	0	113.2	F334 I335	F334-N359 WeakPolarHBondContact CD2-O 3.38Å; F334-N359 HydrophobicContact CE2-CB 4.23Å; F334-N359 WeakPolarHBondContact CE2-ND2 3.2Å; I335-N359 PolarHBondContact N-O 3.47Å
360	V	97.1	Very high	91.2	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.127	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120	173.7	-176.7	0	0	0	0	109.5	R332 W333 F334 F545	R332-V360 HydrophobicContact CB-CG1 4.4Å; W333-V360 CarbonylContact O-C 3.57Å; W333-V360 VanDerWaalsContact O-CA 3.3Å; W333-V360 WeakPolarHBondContact O-CA 3.47Å; F334-V360 HydrophobicContact CD2-CG2 4.42Å; V360-F545 HydrophobicContact CG1-CD1 4.06Å; V360-F545 HydrophobicContact CG2-CD1 4.33Å; V360-F545 HydrophobicContact CG2-CE1 4.35Å
361	M	97.7	Very high	92.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.1	176.8	177.6	-173.9	86.6	0	0	110.1	W333 I335 F365 I441 N443 I488 V528 I542	W333-M361 HydrophobicContact CB-CB 4.26Å; W333-M361 HydrophobicContact CB-CE 3.79Å; W333-M361 HydrophobicContact CG-CE 3.78Å; W333-M361 PolarHBondContact N-O 2.84Å; W333-M361 PolarHBondContact O-N 2.88Å; I335-M361 HydrophobicContact CD1-CB 3.71Å; I335-M361 HydrophobicContact CD1-SD 4.49Å; I335-M361 HydrophobicContact CG1-CB 4.19Å; M361-F365 HydrophobicContact SD-CB 3.5Å; M361-F365 WeakPolarHBondContact SD-CB 3.34Å; M361-F365 PolarHBondContact SD-N 3.09Å; M361-I441 HydrophobicContact CE-CG2 4.06Å; M361-I441 HydrophobicContact SD-CG2 4.39Å; M361-N443 HydrophobicContact CE-CB 4.15Å; M361-I488 HydrophobicContact CE-CG2 3.85Å; M361-V528 HydrophobicContact CB-CG1 3.92Å; M361-V528 HydrophobicContact CG-CG1 4.33Å; M361-I542 HydrophobicContact CE-CG2 4.35Å
362	N	97.8	Very high	93.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	-103.5	-35.8	175	-50.7	-79.7	0	0	0	110.6	S269 F330 R332 N443 D529	S269-N362 PolarHBondContact OG-ND2 3.47Å; F330-N362 HydrophobicContact CE1-CB 4.1Å; F330-N362 HydrophobicContact CZ-CB 4.33Å; F330-N362 WeakPolarHBondContact CZ-O 3.4Å; R332-N362 PolarHBondContact NE-OD1 3.36Å; N362-N443 PolarHBondContact O-ND2 3.09Å; N362-D529 WeakPolarHBondContact CB-OD2 3.41Å; N362-D529 PolarHBondContact N-OD1 3.47Å; N362-D529 PolarHBondContact N-OD2 3.24Å; N362-D529 PolarHBondContact ND2-OD2 3.13Å
363	N	97.5	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-109.3	-59.2	-175.8	-60.5	-24	0	0	0	111.4	D265 N443 I444 D529	D265-N363 WeakPolarHBondContact CB-ND2 3.48Å; N363-N443 PolarHBondContact O-N 3.26Å; N363-I444 HydrophobicContact CB-CD1 3.74Å; N363-I444 HydrophobicContact CB-CG1 3.98Å; N363-I444 PolarHBondContact O-N 2.78Å; N363-D529 WeakPolarHBondContact CA-OD1 3.32Å; N363-D529 WeakPolarHBondContact CB-OD1 3.42Å; N363-D529 PolarHBondContact N-OD1 3.43Å
364	Y	97.6	Very high	93.6	Very high	19 Å²	19	24.3 Å²	24.3	8%	0.075	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	155.6	-170.5	41.7	-108.3	0	0	0	114.2	D298 I441 L442 I444 Y447 D529	D298-Y364 HydrophobicContact CB-CE1 4.32Å; D298-Y364 PolarHBondContact OD2-OH 3.4Å; Y364-I441 CarbonylContact C-O 3.5Å; Y364-I441 WeakPolarHBondContact CA-O 3.44Å; Y364-I441 VanDerWaalsContact CB-O 3.3Å; Y364-I441 WeakPolarHBondContact CB-O 3.45Å; Y364-L442 HydrophobicContact CD1-CD2 4.49Å; Y364-I444 HydrophobicContact CD1-CG1 4.41Å; Y364-Y447 AromaticContact CD1-CD2 3.54Å; Y364-Y447 HydrophobicContact CD1-CD2 3.54Å; Y364-Y447 HydrophobicContact CD1-CE2 4.11Å; Y364-Y447 HydrophobicContact CD2-CD2 4.03Å; Y364-Y447 AromaticContact CD2-CE2 3.73Å; Y364-Y447 HydrophobicContact CD2-CE2 3.73Å; Y364-Y447 AromaticContact CE1-CD2 3.5Å; Y364-Y447 HydrophobicContact CE1-CD2 3.5Å; Y364-Y447 AromaticContact CE1-CE2 3.97Å; Y364-Y447 HydrophobicContact CE1-CE2 3.97Å; Y364-Y447 AromaticContact CE2-CD2 3.98Å; Y364-Y447 HydrophobicContact CE2-CD2 3.98Å; Y364-Y447 AromaticContact CE2-CE2 3.56Å; Y364-Y447 HydrophobicContact CE2-CE2 3.56Å; Y364-Y447 AromaticContact CG-CD2 3.79Å; Y364-Y447 HydrophobicContact CG-CD2 3.79Å; Y364-Y447 AromaticContact CG-CE2 3.97Å; Y364-Y447 HydrophobicContact CG-CE2 3.97Å; Y364-Y447 AromaticContact CZ-CD2 3.7Å; Y364-Y447 AromaticContact CZ-CE2 3.67Å; Y364-D529 PolarHBondContact N-OD1 2.92Å; Y364-D529 PolarHBondContact O-N 2.92Å
365	F	98.2	Very high	93.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.2	170.1	170.3	-79.3	0	0	0	108	I335 L356 M361 I367 I441 L518 V526 Q527 V528 I540 I542	I335-F365 HydrophobicContact CD1-CB 4.32Å; I335-F365 HydrophobicContact CD1-CD2 3.83Å; I335-F365 HydrophobicContact CD1-CG 4.46Å; L356-F365 HydrophobicContact CD1-CE2 4.49Å; M361-F365 HydrophobicContact SD-CB 3.5Å; M361-F365 WeakPolarHBondContact SD-CB 3.34Å; M361-F365 PolarHBondContact SD-N 3.09Å; F365-I367 HydrophobicContact CE1-CB 4.1Å; F365-I367 HydrophobicContact CE1-CG2 4.29Å; F365-I441 HydrophobicContact CB-CB 4.26Å; F365-I441 HydrophobicContact CD1-CD1 3.63Å; F365-I441 HydrophobicContact CD1-CG1 4.45Å; F365-I441 HydrophobicContact CE1-CD1 4.2Å; F365-I441 PolarHBondContact N-O 3Å; F365-I441 PolarHBondContact O-N 3.24Å; F365-L518 HydrophobicContact CE1-CD2 4.05Å; F365-L518 HydrophobicContact CZ-CD2 4.48Å; F365-V526 HydrophobicContact CE2-CB 4.13Å; F365-V526 HydrophobicContact CE2-CG1 4.43Å; F365-V526 HydrophobicContact CZ-CB 4.04Å; F365-V526 HydrophobicContact CZ-CG1 3.89Å; F365-Q527 WeakPolarHBondContact CA-O 3.38Å; F365-V528 HydrophobicContact CD2-CG2 3.81Å; F365-V528 HydrophobicContact CE2-CG2 4.35Å; F365-I540 HydrophobicContact CE2-CD1 4.46Å; F365-I540 HydrophobicContact CE2-CG2 4.46Å; F365-I540 HydrophobicContact CZ-CD1 3.87Å; F365-I540 HydrophobicContact CZ-CG2 4.43Å; F365-I542 HydrophobicContact CB-CD1 4.31Å; F365-I542 HydrophobicContact CD1-CD1 4.44Å; F365-I542 HydrophobicContact CG-CD1 4.28Å
366	S	97.1	Very high	93.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.8	171.2	77.6	0	0	0	0	112.9	D370 L439 V526 Q527	S366-D370 VanDerWaalsContact CB-OD2 3.32Å; S366-D370 WeakPolarHBondContact CB-OD2 3.32Å; S366-D370 PolarHBondContact OG-OD2 2.77Å; S366-L439 WeakPolarHBondContact CA-O 3.42Å; S366-V526 CarbonylContact O-C 3.58Å; S366-V526 VanDerWaalsContact O-CA 3.25Å; S366-V526 WeakPolarHBondContact O-CA 3.45Å; S366-Q527 PolarHBondContact N-O 2.82Å; S366-Q527 PolarHBondContact O-N 3.28Å; S366-Q527 WeakPolarHBondContact OG-CG 3.46Å; S366-Q527 PolarHBondContact OG-NE2 2.83Å
367	I	96.6	Very high	93	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.2	179.2	-177	168.3	0	0	0	110.2	F365 L414 I418 C438 L439 L518 T520 I524 V526	F365-I367 HydrophobicContact CE1-CB 4.1Å; F365-I367 HydrophobicContact CE1-CG2 4.29Å; I367-L414 HydrophobicContact CG1-CD1 4.32Å; I367-I418 HydrophobicContact CD1-CG2 4.18Å; I367-C438 WeakPolarHBondContact O-CA 3.17Å; I367-L439 HydrophobicContact CG2-CB 3.65Å; I367-L439 PolarHBondContact N-O 2.94Å; I367-L439 PolarHBondContact O-N 3.49Å; I367-L439 VanDerWaalsContact O-N 3.12Å; I367-L518 HydrophobicContact CD1-CD2 4.09Å; I367-L518 HydrophobicContact CG2-CD2 4.1Å; I367-T520 HydrophobicContact CD1-CG2 3.64Å; I367-I524 HydrophobicContact CD1-CB 4.22Å; I367-I524 HydrophobicContact CD1-CD1 4.25Å; I367-I524 HydrophobicContact CD1-CG2 3.76Å; I367-I524 HydrophobicContact CG1-CB 4.33Å; I367-I524 HydrophobicContact CG1-CG2 3.39Å; I367-V526 HydrophobicContact CB-CG1 4.05Å; I367-V526 HydrophobicContact CD1-CG1 3.96Å; I367-V526 HydrophobicContact CG1-CG1 3.83Å
368	G	94	Very high	92.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.6	-139.4	177.2	0	0	0	0	0	114.2	D370 A371 H372 P525	G368-D370 VanDerWaalsContact C-N 3.29Å; G368-D370 PolarHBondContact O-N 3.09Å; G368-A371 PolarHBondContact O-N 3.27Å; G368-H372 PolarHBondContact O-N 2.66Å; G368-P525 PolarHBondContact N-O 2.88Å; G368-P525 VanDerWaalsContact N-O 3.12Å
369	V	91.2	Very high	92.4	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-53.5	-45.5	-172.9	174.2	0	0	0	0	112.2	H372 I373 L406 W411 H437 L498	V369-H372 WeakPolarHBondContact O-CB 3.45Å; V369-H372 PolarHBondContact O-N 3.1Å; V369-I373 HydrophobicContact CG1-CD1 3.91Å; V369-I373 WeakPolarHBondContact O-CG1 3.29Å; V369-I373 PolarHBondContact O-N 2.73Å; V369-L406 HydrophobicContact CG1-CD2 4.17Å; V369-W411 HydrophobicContact CG2-CB 3.73Å; V369-W411 HydrophobicContact CG2-CG 4.47Å; V369-H437 HydrophobicContact CG2-CB 3.75Å; V369-H437 WeakPolarHBondContact CG2-O 3.42Å; V369-H437 PolarHBondContact N-O 2.75Å; V369-L498 HydrophobicContact CB-CD2 4.3Å; V369-L498 HydrophobicContact CG1-CD2 3.96Å
370	D	89.2	Confident	91.8	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.032	9%	0.094	C	C	.	.	H	α-helix	trans	-65.8	-46.7	-176.2	174.1	76.7	0	0	0	112.6	S366 G368 H372 I373 A374 C438 Y447 L498	S366-D370 VanDerWaalsContact CB-OD2 3.32Å; S366-D370 WeakPolarHBondContact CB-OD2 3.32Å; S366-D370 PolarHBondContact OG-OD2 2.77Å; G368-D370 VanDerWaalsContact C-N 3.29Å; G368-D370 PolarHBondContact O-N 3.09Å; D370-H372 PolarHBondContact O-N 3.33Å; D370-I373 WeakPolarHBondContact O-CB 3.42Å; D370-I373 PolarHBondContact O-N 3.23Å; D370-I373 VanDerWaalsContact O-N 3.13Å; D370-A374 PolarHBondContact O-N 2.58Å; D370-C438 VanDerWaalsContact CB-SG 3.58Å; D370-Y447 PolarHBondContact OD1-OH 2.98Å; D370-Y447 PolarHBondContact OD2-OH 2.82Å; D370-L498 HydrophobicContact CB-CD2 4.15Å
371	A	92.3	Very high	91	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-32.1	173.6	0	0	0	0	0	112.7	G368 A374 L375 P525 V526 Q527	G368-A371 PolarHBondContact O-N 3.27Å; A371-A374 PolarHBondContact O-N 3.2Å; A371-L375 WeakPolarHBondContact O-CB 3.45Å; A371-L375 PolarHBondContact O-N 2.73Å; A371-P525 HydrophobicContact CB-CB 4.24Å; A371-P525 VanDerWaalsContact CB-O 3.25Å; A371-P525 WeakPolarHBondContact CB-O 3.33Å; A371-V526 VanDerWaalsContact CB-C 3.46Å; A371-V526 VanDerWaalsContact CB-CA 3.46Å; A371-Q527 HydrophobicContact CB-CB 4.28Å; A371-Q527 HydrophobicContact CB-CG 4.06Å
372	H	90.7	Very high	90.2	Very high	33 Å²	33	26.6 Å²	26.6	15%	0.153	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-40.7	173.9	-164.7	42.3	0	0	0	112.4	G368 V369 D370 A374 L375 Q376 D405 W411 P525	G368-H372 PolarHBondContact O-N 2.66Å; V369-H372 WeakPolarHBondContact O-CB 3.45Å; V369-H372 PolarHBondContact O-N 3.1Å; D370-H372 PolarHBondContact O-N 3.33Å; H372-A374 VanDerWaalsContact C-N 3.34Å; H372-L375 WeakPolarHBondContact O-CB 3.18Å; H372-L375 PolarHBondContact O-N 2.83Å; H372-Q376 PolarHBondContact NE2-NE2 3.06Å; H372-Q376 PolarHBondContact O-N 3.25Å; H372-D405 IonicContact CD2-OD1 2.87Å; H372-D405 IonicContact CD2-OD2 3.7Å; H372-D405 PolarHBondContact CD2-OD2 2.62Å; H372-D405 IonicContact CG-OD2 3.92Å; H372-D405 IonicContact NE2-OD2 3.98Å; H372-W411 AromaticContact CD2-NE1 3.54Å; H372-W411 AromaticContact CG-NE1 3.42Å; H372-P525 HydrophobicContact CB-CB 4.26Å; H372-P525 HydrophobicContact CB-CG 3.79Å
373	I	87.7	Confident	89.3	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-62	-44.5	173.9	-65.7	162.3	0	0	0	110.1	V369 D370 L375 Q376 F377 Y398 I401 D405	V369-I373 HydrophobicContact CG1-CD1 3.91Å; V369-I373 WeakPolarHBondContact O-CG1 3.29Å; V369-I373 PolarHBondContact O-N 2.73Å; D370-I373 WeakPolarHBondContact O-CB 3.42Å; D370-I373 PolarHBondContact O-N 3.23Å; D370-I373 VanDerWaalsContact O-N 3.13Å; I373-L375 VanDerWaalsContact C-N 3.32Å; I373-L375 PolarHBondContact O-N 3.37Å; I373-Q376 PolarHBondContact O-N 3.13Å; I373-F377 WeakPolarHBondContact O-CB 3.41Å; I373-F377 PolarHBondContact O-N 3.02Å; I373-Y398 HydrophobicContact CG2-CD1 4.19Å; I373-Y398 HydrophobicContact CG2-CE1 3.77Å; I373-Y398 HydrophobicContact CG2-CE2 4.18Å; I373-I401 HydrophobicContact CB-CG2 4.49Å; I373-I401 HydrophobicContact CG2-CG2 4.02Å; I373-D405 HydrophobicContact CG1-CB 3.96Å
374	A	88.1	Confident	88.5	Confident	7 Å²	7	36 Å²	36	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-43.2	175.6	0	0	0	0	0	111.7	D370 A371 H372 F377 H378 Q527 P532	D370-A374 PolarHBondContact O-N 2.58Å; A371-A374 PolarHBondContact O-N 3.2Å; H372-A374 VanDerWaalsContact C-N 3.34Å; A374-F377 PolarHBondContact O-N 3.26Å; A374-H378 WeakPolarHBondContact O-CB 3.41Å; A374-H378 PolarHBondContact O-N 3.49Å; A374-Q527 HydrophobicContact CB-CB 4.29Å; A374-Q527 HydrophobicContact CB-CG 4.28Å; A374-P532 HydrophobicContact CB-CB 4.09Å; A374-P532 HydrophobicContact CB-CG 4.49Å
375	L	89.4	Confident	87.3	Confident	16 Å²	16	38.9 Å²	38.9	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-51.7	176.8	-174.4	64.8	0	0	0	112.3	A371 H372 I373 F377 H378 E379 P532 K534	A371-L375 WeakPolarHBondContact O-CB 3.45Å; A371-L375 PolarHBondContact O-N 2.73Å; H372-L375 WeakPolarHBondContact O-CB 3.18Å; H372-L375 PolarHBondContact O-N 2.83Å; I373-L375 VanDerWaalsContact C-N 3.32Å; I373-L375 PolarHBondContact O-N 3.37Å; L375-F377 VanDerWaalsContact C-N 3.25Å; L375-F377 PolarHBondContact O-N 3.03Å; L375-H378 WeakPolarHBondContact O-CB 3.44Å; L375-H378 PolarHBondContact O-N 3.26Å; L375-H378 VanDerWaalsContact O-N 3.15Å; L375-E379 WeakPolarHBondContact O-CG 3.33Å; L375-E379 PolarHBondContact O-N 2.84Å; L375-P532 HydrophobicContact CB-CB 3.94Å; L375-P532 HydrophobicContact CB-CG 4.31Å; L375-P532 HydrophobicContact CD1-CB 4.11Å; L375-P532 HydrophobicContact CD1-CG 4.09Å; L375-K534 HydrophobicContact CD2-CD 4.34Å; L375-K534 HydrophobicContact CD2-CG 3.74Å
376	Q	87.2	Confident	86.1	Confident	42 Å²	42	44.7 Å²	44.7	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-36.1	178.2	-69.9	-174.1	18.3	0	0	111.9	H372 I373 S380 I401 D405	H372-Q376 PolarHBondContact NE2-NE2 3.06Å; H372-Q376 PolarHBondContact O-N 3.25Å; I373-Q376 PolarHBondContact O-N 3.13Å; Q376-S380 WeakPolarHBondContact O-CB 3.36Å; Q376-S380 PolarHBondContact O-N 2.74Å; Q376-I401 HydrophobicContact CB-CD1 4.39Å; Q376-I401 HydrophobicContact CB-CG2 3.69Å; Q376-I401 HydrophobicContact CG-CG2 4.5Å; Q376-D405 PolarHBondContact NE2-OD1 3.33Å; Q376-D405 PolarHBondContact NE2-OD2 3.47Å
377	F	84.8	Confident	85	Confident	21 Å²	21	48.1 Å²	48.1	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-41.5	175.1	178.9	-103.6	0	0	0	112.3	I373 A374 L375 S380 R381 H388 N394 V397 Y398 I401	I373-F377 WeakPolarHBondContact O-CB 3.41Å; I373-F377 PolarHBondContact O-N 3.02Å; A374-F377 PolarHBondContact O-N 3.26Å; L375-F377 VanDerWaalsContact C-N 3.25Å; L375-F377 PolarHBondContact O-N 3.03Å; F377-S380 PolarHBondContact O-N 3.21Å; F377-R381 HydrophobicContact CE1-CG 4.26Å; F377-R381 VanDerWaalsContact CE1-CZ 3.41Å; F377-R381 HydrophobicContact CZ-CG 4.31Å; F377-R381 PolarHBondContact O-N 2.85Å; F377-H388 AromaticContact CE2-CE1 3.66Å; F377-H388 AromaticContact CE2-ND1 3.91Å; F377-N394 HydrophobicContact CE2-CB 4.49Å; F377-N394 VanDerWaalsContact CE2-O 3.3Å; F377-N394 WeakPolarHBondContact CE2-O 3.45Å; F377-N394 HydrophobicContact CZ-CB 4.09Å; F377-V397 HydrophobicContact CD2-CB 4.41Å; F377-V397 HydrophobicContact CD2-CG1 3.99Å; F377-V397 HydrophobicContact CE2-CB 4.21Å; F377-V397 HydrophobicContact CE2-CG1 4.2Å; F377-Y398 HydrophobicContact CB-CD2 3.86Å; F377-Y398 HydrophobicContact CB-CE2 4.23Å; F377-Y398 AromaticContact CD1-CD2 3.81Å; F377-Y398 HydrophobicContact CD1-CD2 3.81Å; F377-Y398 HydrophobicContact CD1-CE2 4.32Å; F377-Y398 AromaticContact CD2-CD2 3.84Å; F377-Y398 HydrophobicContact CD2-CD2 3.84Å; F377-Y398 HydrophobicContact CD2-CG 4.39Å; F377-Y398 HydrophobicContact CE1-CD2 4.26Å; F377-Y398 HydrophobicContact CE2-CD2 4.32Å; F377-Y398 AromaticContact CG-CD2 3.56Å; F377-Y398 HydrophobicContact CG-CD2 3.56Å; F377-Y398 HydrophobicContact CG-CE2 4.26Å; F377-I401 HydrophobicContact CB-CD1 4.26Å
378	H	84.7	Confident	83.6	Confident	75 Å²	75	49 Å²	49	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.7	-177.5	101.7	0	0	0	111.4	A374 L375 S380 R381 T382 P532	A374-H378 WeakPolarHBondContact O-CB 3.41Å; A374-H378 PolarHBondContact O-N 3.49Å; L375-H378 WeakPolarHBondContact O-CB 3.44Å; L375-H378 PolarHBondContact O-N 3.26Å; L375-H378 VanDerWaalsContact O-N 3.15Å; H378-S380 VanDerWaalsContact C-N 3.32Å; H378-S380 PolarHBondContact O-N 2.92Å; H378-R381 WeakPolarHBondContact O-CB 3.36Å; H378-R381 PolarHBondContact O-N 3.1Å; H378-R381 VanDerWaalsContact O-N 3.08Å; H378-T382 PolarHBondContact O-N 2.95Å; H378-T382 PolarHBondContact O-OG1 2.77Å; H378-P532 HydrophobicContact CB-CG 3.61Å
379	E	86.1	Confident	82.3	Confident	104 Å²	104	55.2 Å²	55.2	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-41.7	176.1	-70.7	175.1	169.6	0	0	111.6	L375 R381 T382 A383	L375-E379 WeakPolarHBondContact O-CG 3.33Å; L375-E379 PolarHBondContact O-N 2.84Å; E379-R381 VanDerWaalsContact C-N 3.33Å; E379-R381 PolarHBondContact O-N 2.78Å; E379-T382 PolarHBondContact O-N 3.23Å; E379-A383 VanDerWaalsContact O-CB 3.27Å; E379-A383 WeakPolarHBondContact O-CB 3.41Å; E379-A383 PolarHBondContact O-N 3.23Å
380	S	83.6	Confident	81.3	Confident	29 Å²	29	57 Å²	57	20%	0.203	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-39.3	173.7	178.9	0	0	0	0	112.5	Q376 F377 H378 A383 K384 H388	Q376-S380 WeakPolarHBondContact O-CB 3.36Å; Q376-S380 PolarHBondContact O-N 2.74Å; F377-S380 PolarHBondContact O-N 3.21Å; H378-S380 VanDerWaalsContact C-N 3.32Å; H378-S380 PolarHBondContact O-N 2.92Å; S380-A383 PolarHBondContact O-N 3.2Å; S380-K384 PolarHBondContact O-N 3.07Å; S380-H388 VanDerWaalsContact C-NE2 3.31Å; S380-H388 PolarHBondContact O-NE2 2.89Å; S380-H388 PolarHBondContact OG-NE2 3.15Å
381	R	80.1	Confident	80.4	Confident	84 Å²	84	60.6 Å²	60.6	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-45	176.2	-87	-176.3	154.8	176.6	0.2	112.4	T295 F377 H378 E379 P385 H388 N394	T295-R381 PolarHBondContact OG1-NH2 3.45Å; F377-R381 HydrophobicContact CE1-CG 4.26Å; F377-R381 VanDerWaalsContact CE1-CZ 3.41Å; F377-R381 HydrophobicContact CZ-CG 4.31Å; F377-R381 PolarHBondContact O-N 2.85Å; H378-R381 WeakPolarHBondContact O-CB 3.36Å; H378-R381 PolarHBondContact O-N 3.1Å; H378-R381 VanDerWaalsContact O-N 3.08Å; E379-R381 VanDerWaalsContact C-N 3.33Å; E379-R381 PolarHBondContact O-N 2.78Å; R381-P385 WeakPolarHBondContact O-CA 3.22Å; R381-H388 WeakPolarHBondContact CA-CD2 3.36Å; R381-H388 HydrophobicContact CG-CB 4.03Å; R381-H388 VanDerWaalsContact CG-CE1 3.49Å; R381-H388 WeakPolarHBondContact CG-CE1 3.17Å; R381-H388 VanDerWaalsContact CG-CG 3.43Å; R381-H388 VanDerWaalsContact CG-ND1 3.32Å; R381-H388 WeakPolarHBondContact CG-ND1 3.21Å; R381-H388 PolarHBondContact N-NE2 2.78Å; R381-N394 PolarHBondContact NH2-ND2 2.76Å
382	T	79.6	Confident	79.4	Confident	102 Å²	102	67.4 Å²	67.4	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-70.7	-39.3	179.6	-56.6	0	0	0	0	111.3	H378 E379	H378-T382 PolarHBondContact O-N 2.95Å; H378-T382 PolarHBondContact O-OG1 2.77Å; E379-T382 PolarHBondContact O-N 3.23Å
383	A	79.6	Confident	78.7	Confident	78 Å²	78	71 Å²	71	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-75.3	-33.5	-179.9	0	0	0	0	0	113.8	E379 S380	E379-A383 VanDerWaalsContact O-CB 3.27Å; E379-A383 WeakPolarHBondContact O-CB 3.41Å; E379-A383 PolarHBondContact O-N 3.23Å; S380-A383 PolarHBondContact O-N 3.2Å
384	K	79.8	Confident	78.1	Confident	125 Å²	125	71.1 Å²	71.1	54%	0.543	36%	0.356	S	S	.	.			trans	-135.9	61.8	-172.8	-60.7	-174.5	-175.7	178.7	0	112.6	S380 E386 I387 H388	S380-K384 PolarHBondContact O-N 3.07Å; K384-E386 PolarHBondContact O-N 3.42Å; K384-I387 HydrophobicContact CB-CB 4.5Å; K384-I387 HydrophobicContact CB-CD1 3.9Å; K384-I387 HydrophobicContact CB-CG1 4.16Å; K384-I387 HydrophobicContact CD-CD1 3.55Å; K384-I387 HydrophobicContact CG-CD1 4.34Å; K384-I387 PolarHBondContact O-N 3.4Å; K384-H388 PolarHBondContact O-CD2 2.7Å; K384-H388 VanDerWaalsContact O-CD2 3.29Å
385	P	73.3	Confident	77.5	Confident	78 Å²	78	78.4 Å²	78.4	51%	0.506	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.2	-175.9	22.9	-34.3	0	0	0	113.3	R381 I387 H388	R381-P385 WeakPolarHBondContact O-CA 3.22Å; P385-I387 VanDerWaalsContact C-N 3.35Å; P385-I387 PolarHBondContact O-N 2.91Å; P385-H388 PolarHBondContact O-N 2.73Å; P385-H388 VanDerWaalsContact O-N 3.12Å
386	E	73.3	Confident	77	Confident	122 Å²	122	82 Å²	82	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.6	176.9	-66.2	-61.3	128.6	0	0	114.3	K384 H388 K389	K384-E386 PolarHBondContact O-N 3.42Å; E386-H388 VanDerWaalsContact C-N 3.29Å; E386-K389 VanDerWaalsContact CD-CE 3.46Å; E386-K389 WeakPolarHBondContact O-CG 3.5Å; E386-K389 WeakPolarHBondContact OE1-CE 3.34Å; E386-K389 IonicContact OE1-NZ 2.82Å; E386-K389 PolarHBondContact OE1-NZ 3.26Å; E386-K389 WeakPolarHBondContact OE2-CE 3.4Å; E386-K389 IonicContact OE2-NZ 2.68Å; E386-K389 PolarHBondContact OE2-NZ 3.04Å
387	I	73	Confident	76.6	Confident	73 Å²	73	81.4 Å²	81.4	37%	0.374	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-71.6	-31.7	178	-61.5	179.4	0	0	0	110.3	K384 P385 K389 K393 V397	K384-I387 HydrophobicContact CB-CB 4.5Å; K384-I387 HydrophobicContact CB-CD1 3.9Å; K384-I387 HydrophobicContact CB-CG1 4.16Å; K384-I387 HydrophobicContact CD-CD1 3.55Å; K384-I387 HydrophobicContact CG-CD1 4.34Å; K384-I387 PolarHBondContact O-N 3.4Å; P385-I387 VanDerWaalsContact C-N 3.35Å; P385-I387 PolarHBondContact O-N 2.91Å; I387-K389 VanDerWaalsContact C-N 3.29Å; I387-K389 PolarHBondContact O-N 3.11Å; I387-K393 WeakPolarHBondContact O-CB 3.43Å; I387-K393 WeakPolarHBondContact O-CD 3.47Å; I387-V397 HydrophobicContact CG2-CG2 4.06Å
388	H	67	Low	76.2	Confident	19 Å²	19	83.3 Å²	83.3	9%	0.088	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-87.8	9.2	-171.9	-67.7	-81.4	0	0	0	114.5	F377 S380 R381 K384 P385 E386 S390 N394	F377-H388 AromaticContact CE2-CE1 3.66Å; F377-H388 AromaticContact CE2-ND1 3.91Å; S380-H388 VanDerWaalsContact C-NE2 3.31Å; S380-H388 PolarHBondContact O-NE2 2.89Å; S380-H388 PolarHBondContact OG-NE2 3.15Å; R381-H388 WeakPolarHBondContact CA-CD2 3.36Å; R381-H388 HydrophobicContact CG-CB 4.03Å; R381-H388 VanDerWaalsContact CG-CE1 3.49Å; R381-H388 WeakPolarHBondContact CG-CE1 3.17Å; R381-H388 VanDerWaalsContact CG-CG 3.43Å; R381-H388 VanDerWaalsContact CG-ND1 3.32Å; R381-H388 WeakPolarHBondContact CG-ND1 3.21Å; R381-H388 PolarHBondContact N-NE2 2.78Å; K384-H388 PolarHBondContact O-CD2 2.7Å; K384-H388 VanDerWaalsContact O-CD2 3.29Å; P385-H388 PolarHBondContact O-N 2.73Å; P385-H388 VanDerWaalsContact O-N 3.12Å; E386-H388 VanDerWaalsContact C-N 3.29Å; H388-S390 PolarHBondContact O-N 3.45Å; H388-N394 WeakPolarHBondContact CA-OD1 3.42Å; H388-N394 WeakPolarHBondContact CB-OD1 3.47Å; H388-N394 VanDerWaalsContact CG-OD1 3.25Å; H388-N394 PolarHBondContact ND1-OD1 3.36Å; H388-N394 PolarHBondContact O-ND2 2.84Å; H388-N394 PolarHBondContact O-OD1 3.28Å
389	K	67.4	Low	75.8	Confident	129 Å²	129	81.6 Å²	81.6	56%	0.561	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.4	178	-72.1	-177.7	171	176.6	0	115.1	E386 I387	E386-K389 VanDerWaalsContact CD-CE 3.46Å; E386-K389 WeakPolarHBondContact O-CG 3.5Å; E386-K389 WeakPolarHBondContact OE1-CE 3.34Å; E386-K389 IonicContact OE1-NZ 2.82Å; E386-K389 PolarHBondContact OE1-NZ 3.26Å; E386-K389 WeakPolarHBondContact OE2-CE 3.4Å; E386-K389 IonicContact OE2-NZ 2.68Å; E386-K389 PolarHBondContact OE2-NZ 3.04Å; I387-K389 VanDerWaalsContact C-N 3.29Å; I387-K389 PolarHBondContact O-N 3.11Å
390	S	71.4	Confident	75.4	Confident	47 Å²	47	79.8 Å²	79.8	33%	0.329	41%	0.409	S	S	.	.	S	Bend	trans	-125.8	141	-179.3	171.9	0	0	0	0	111.7	H388 F392 K393 N394	H388-S390 PolarHBondContact O-N 3.45Å; S390-F392 PolarHBondContact O-N 2.63Å; S390-F392 PolarHBondContact OG-N 3.04Å; S390-K393 PolarHBondContact O-N 2.81Å; S390-N394 WeakPolarHBondContact O-CB 3.35Å; S390-N394 PolarHBondContact O-N 2.98Å; S390-N394 PolarHBondContact O-ND2 2.85Å
391	R	70	Confident	75.2	Confident	81 Å²	81	79.4 Å²	79.4	31%	0.306	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-42.5	174.7	179.2	170.6	174.6	-134.9	5.9	112.9	T295 S307 T308 K393 N394 R395	T295-R391 HydrophobicContact CG2-CB 3.73Å; T295-R391 HydrophobicContact CG2-CG 3.73Å; S307-R391 PolarHBondContact O-NH1 2.98Å; S307-R391 PolarHBondContact O-NH2 2.85Å; S307-R391 VanDerWaalsContact O-NH2 3.08Å; T308-R391 PolarHBondContact OG1-NH1 3.2Å; R391-K393 VanDerWaalsContact C-N 3.32Å; R391-K393 PolarHBondContact O-N 3.04Å; R391-N394 WeakPolarHBondContact O-CB 3.44Å; R391-N394 PolarHBondContact O-N 3.21Å; R391-R395 PolarHBondContact O-N 3.27Å
392	F	71.4	Confident	74.9	Confident	144 Å²	144	75.9 Å²	75.9	63%	0.632	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-45	178.6	178.7	-103	0	0	0	110.8	S390 N394 R395 L396	S390-F392 PolarHBondContact O-N 2.63Å; S390-F392 PolarHBondContact OG-N 3.04Å; F392-N394 PolarHBondContact O-N 3.23Å; F392-R395 PolarHBondContact O-N 3.18Å; F392-L396 HydrophobicContact CD1-CD1 3.86Å; F392-L396 HydrophobicContact CD1-CG 4.48Å; F392-L396 HydrophobicContact CE1-CD1 3.33Å; F392-L396 HydrophobicContact CE1-CG 4.15Å; F392-L396 HydrophobicContact CZ-CD1 3.73Å; F392-L396 HydrophobicContact CZ-CD2 4.43Å; F392-L396 HydrophobicContact CZ-CG 4.2Å; F392-L396 WeakPolarHBondContact O-CG 3.48Å; F392-L396 PolarHBondContact O-N 3.48Å
393	K	76.2	Confident	74.6	Confident	109 Å²	109	74.7 Å²	74.7	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-43	174.9	-65.8	-175.6	178.6	-177.4	0	111.8	I387 S390 R391 R395 L396 V397	I387-K393 WeakPolarHBondContact O-CB 3.43Å; I387-K393 WeakPolarHBondContact O-CD 3.47Å; S390-K393 PolarHBondContact O-N 2.81Å; R391-K393 VanDerWaalsContact C-N 3.32Å; R391-K393 PolarHBondContact O-N 3.04Å; K393-R395 VanDerWaalsContact C-N 3.35Å; K393-R395 PolarHBondContact O-N 3.23Å; K393-L396 PolarHBondContact O-N 2.73Å; K393-V397 WeakPolarHBondContact O-CG2 3.44Å; K393-V397 PolarHBondContact O-N 3.35Å
394	N	74.4	Confident	74.4	Confident	9 Å²	9	77.8 Å²	77.8	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-57.3	-46.1	175.4	-74.2	-26.2	0	0	0	112.2	T295 F377 R381 H388 S390 R391 F392 V397 Y398	T295-N394 HydrophobicContact CG2-CB 4.06Å; T295-N394 WeakPolarHBondContact CG2-ND2 3.3Å; F377-N394 HydrophobicContact CE2-CB 4.49Å; F377-N394 VanDerWaalsContact CE2-O 3.3Å; F377-N394 WeakPolarHBondContact CE2-O 3.45Å; F377-N394 HydrophobicContact CZ-CB 4.09Å; R381-N394 PolarHBondContact NH2-ND2 2.76Å; H388-N394 WeakPolarHBondContact CA-OD1 3.42Å; H388-N394 WeakPolarHBondContact CB-OD1 3.47Å; H388-N394 VanDerWaalsContact CG-OD1 3.25Å; H388-N394 PolarHBondContact ND1-OD1 3.36Å; H388-N394 PolarHBondContact O-ND2 2.84Å; H388-N394 PolarHBondContact O-OD1 3.28Å; S390-N394 WeakPolarHBondContact O-CB 3.35Å; S390-N394 PolarHBondContact O-N 2.98Å; S390-N394 PolarHBondContact O-ND2 2.85Å; R391-N394 WeakPolarHBondContact O-CB 3.44Å; R391-N394 PolarHBondContact O-N 3.21Å; F392-N394 PolarHBondContact O-N 3.23Å; N394-V397 PolarHBondContact O-N 3.26Å; N394-Y398 PolarHBondContact O-N 2.89Å
395	R	76.3	Confident	74	Confident	160 Å²	160	72.1 Å²	72.1	60%	0.604	36%	0.361	S	S	*	.	H	α-helix	trans	-63.4	-41.6	177.5	-171	175.4	-178.7	170.6	2.3	112.2	R391 F392 K393 Y398 G399	R391-R395 PolarHBondContact O-N 3.27Å; F392-R395 PolarHBondContact O-N 3.18Å; K393-R395 VanDerWaalsContact C-N 3.35Å; K393-R395 PolarHBondContact O-N 3.23Å; R395-Y398 PolarHBondContact O-N 3.02Å; R395-G399 PolarHBondContact O-N 3.2Å
396	L	78.4	Confident	73.8	Confident	90 Å²	90	70.3 Å²	70.3	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-42.6	176.8	-73.1	178.9	0	0	0	112.7	F392 K393 G399 S400	F392-L396 HydrophobicContact CD1-CD1 3.86Å; F392-L396 HydrophobicContact CD1-CG 4.48Å; F392-L396 HydrophobicContact CE1-CD1 3.33Å; F392-L396 HydrophobicContact CE1-CG 4.15Å; F392-L396 HydrophobicContact CZ-CD1 3.73Å; F392-L396 HydrophobicContact CZ-CD2 4.43Å; F392-L396 HydrophobicContact CZ-CG 4.2Å; F392-L396 WeakPolarHBondContact O-CG 3.48Å; F392-L396 PolarHBondContact O-N 3.48Å; K393-L396 PolarHBondContact O-N 2.73Å; L396-G399 PolarHBondContact O-N 3.38Å; L396-S400 WeakPolarHBondContact O-CB 3.31Å; L396-S400 PolarHBondContact O-N 3.35Å; L396-S400 PolarHBondContact O-OG 3.24Å
397	V	78.3	Confident	73.7	Confident	30 Å²	30	72.3 Å²	72.3	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-46.9	177.3	175.2	0	0	0	0	110.2	F377 I387 K393 N394 G399 S400 I401	F377-V397 HydrophobicContact CD2-CB 4.41Å; F377-V397 HydrophobicContact CD2-CG1 3.99Å; F377-V397 HydrophobicContact CE2-CB 4.21Å; F377-V397 HydrophobicContact CE2-CG1 4.2Å; I387-V397 HydrophobicContact CG2-CG2 4.06Å; K393-V397 WeakPolarHBondContact O-CG2 3.44Å; K393-V397 PolarHBondContact O-N 3.35Å; N394-V397 PolarHBondContact O-N 3.26Å; V397-G399 PolarHBondContact O-N 2.94Å; V397-S400 PolarHBondContact O-N 3.25Å; V397-I401 HydrophobicContact CG1-CD1 3.73Å; V397-I401 HydrophobicContact CG1-CG1 4.37Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 3.01Å
398	Y	75.8	Confident	73.7	Confident	61 Å²	61	75.5 Å²	75.5	24%	0.239	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-47.9	177	-162.8	-82.9	0	0	0	111.6	I373 F377 N394 R395 S400 I401 G402	I373-Y398 HydrophobicContact CG2-CD1 4.19Å; I373-Y398 HydrophobicContact CG2-CE1 3.77Å; I373-Y398 HydrophobicContact CG2-CE2 4.18Å; F377-Y398 HydrophobicContact CB-CD2 3.86Å; F377-Y398 HydrophobicContact CB-CE2 4.23Å; F377-Y398 AromaticContact CD1-CD2 3.81Å; F377-Y398 HydrophobicContact CD1-CD2 3.81Å; F377-Y398 HydrophobicContact CD1-CE2 4.32Å; F377-Y398 AromaticContact CD2-CD2 3.84Å; F377-Y398 HydrophobicContact CD2-CD2 3.84Å; F377-Y398 HydrophobicContact CD2-CG 4.39Å; F377-Y398 HydrophobicContact CE1-CD2 4.26Å; F377-Y398 HydrophobicContact CE2-CD2 4.32Å; F377-Y398 AromaticContact CG-CD2 3.56Å; F377-Y398 HydrophobicContact CG-CD2 3.56Å; F377-Y398 HydrophobicContact CG-CE2 4.26Å; N394-Y398 PolarHBondContact O-N 2.89Å; R395-Y398 PolarHBondContact O-N 3.02Å; Y398-S400 PolarHBondContact O-N 2.59Å; Y398-I401 PolarHBondContact O-N 3.16Å; Y398-G402 PolarHBondContact O-N 3.33Å
399	G	76.3	Confident	73.9	Confident	39 Å²	39	83.1 Å²	83.1	40%	0.402	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-39.6	177	0	0	0	0	0	113.4	R395 L396 V397 G402 T403	R395-G399 PolarHBondContact O-N 3.2Å; L396-G399 PolarHBondContact O-N 3.38Å; V397-G399 PolarHBondContact O-N 2.94Å; G399-G402 PolarHBondContact O-N 3.06Å; G399-T403 PolarHBondContact O-N 2.83Å; G399-T403 PolarHBondContact O-OG1 3Å; G399-T403 VanDerWaalsContact O-OG1 3.09Å
400	S	77.6	Confident	74.2	Confident	66 Å²	66	80 Å²	80	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-68.3	-40.9	179.5	-58.9	0	0	0	0	112.5	L396 V397 Y398 K404	L396-S400 WeakPolarHBondContact O-CB 3.31Å; L396-S400 PolarHBondContact O-N 3.35Å; L396-S400 PolarHBondContact O-OG 3.24Å; V397-S400 PolarHBondContact O-N 3.25Å; Y398-S400 PolarHBondContact O-N 2.59Å; S400-K404 WeakPolarHBondContact O-CG 3.44Å; S400-K404 PolarHBondContact O-N 3.08Å
401	I	79.3	Confident	74.7	Confident	22 Å²	22	79.5 Å²	79.5	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-46.9	174.5	-70.6	173.4	0	0	0	109.6	I373 Q376 F377 V397 Y398 T403 K404 D405	I373-I401 HydrophobicContact CB-CG2 4.49Å; I373-I401 HydrophobicContact CG2-CG2 4.02Å; Q376-I401 HydrophobicContact CB-CD1 4.39Å; Q376-I401 HydrophobicContact CB-CG2 3.69Å; Q376-I401 HydrophobicContact CG-CG2 4.5Å; F377-I401 HydrophobicContact CB-CD1 4.26Å; V397-I401 HydrophobicContact CG1-CD1 3.73Å; V397-I401 HydrophobicContact CG1-CG1 4.37Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 3.01Å; Y398-I401 PolarHBondContact O-N 3.16Å; I401-T403 PolarHBondContact O-N 3.25Å; I401-K404 PolarHBondContact O-N 3.04Å; I401-K404 VanDerWaalsContact O-N 3.1Å; I401-D405 PolarHBondContact O-N 2.89Å
402	G	73.9	Confident	75.4	Confident	9 Å²	9	80.6 Å²	80.6	9%	0.093	39%	0.389	C	S	.	.	H	α-helix	trans	-54.3	-48.5	177.4	0	0	0	0	0	113.2	Y398 G399 K404 D405 L406	Y398-G402 PolarHBondContact O-N 3.33Å; G399-G402 PolarHBondContact O-N 3.06Å; G402-K404 PolarHBondContact O-N 3.15Å; G402-D405 PolarHBondContact O-N 3.1Å; G402-L406 WeakPolarHBondContact O-CD1 3.28Å; G402-L406 WeakPolarHBondContact O-CG 2.95Å; G402-L406 PolarHBondContact O-N 2.95Å; G402-L406 VanDerWaalsContact O-N 3.11Å
403	T	73.9	Confident	76.1	Confident	78 Å²	78	77.2 Å²	77.2	48%	0.479	38%	0.378	S	S	.	.	H	α-helix	trans	-58.8	-44.8	176.2	-59.2	0	0	0	0	112	G399 I401 D405 F407	G399-T403 PolarHBondContact O-N 2.83Å; G399-T403 PolarHBondContact O-OG1 3Å; G399-T403 VanDerWaalsContact O-OG1 3.09Å; I401-T403 PolarHBondContact O-N 3.25Å; T403-D405 PolarHBondContact O-N 3.05Å; T403-F407 HydrophobicContact CG2-CD2 4.18Å; T403-F407 HydrophobicContact CG2-CE2 3.66Å; T403-F407 WeakPolarHBondContact O-CD2 3.29Å; T403-F407 PolarHBondContact O-N 2.99Å
404	K	76.5	Confident	76.9	Confident	142 Å²	142	72.1 Å²	72.1	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-63.5	-42.4	-180	-74.2	-179.1	179.8	-176.4	0	113	S400 I401 G402 F407 K408	S400-K404 WeakPolarHBondContact O-CG 3.44Å; S400-K404 PolarHBondContact O-N 3.08Å; I401-K404 PolarHBondContact O-N 3.04Å; I401-K404 VanDerWaalsContact O-N 3.1Å; G402-K404 PolarHBondContact O-N 3.15Å; K404-F407 PolarHBondContact O-N 3.14Å; K404-K408 PolarHBondContact O-N 3.29Å
405	D	69.7	Low	77.8	Confident	6 Å²	6	72 Å²	72	3%	0.032	36%	0.355	C	S	.	.	H	α-helix	trans	-70.2	-36.5	-178.3	-99.2	11.1	0	0	0	112.9	H372 I373 Q376 I401 G402 T403 F407 K408 R409	H372-D405 IonicContact CD2-OD1 2.87Å; H372-D405 IonicContact CD2-OD2 3.7Å; H372-D405 PolarHBondContact CD2-OD2 2.62Å; H372-D405 IonicContact CG-OD2 3.92Å; H372-D405 IonicContact NE2-OD2 3.98Å; I373-D405 HydrophobicContact CG1-CB 3.96Å; Q376-D405 PolarHBondContact NE2-OD1 3.33Å; Q376-D405 PolarHBondContact NE2-OD2 3.47Å; I401-D405 PolarHBondContact O-N 2.89Å; G402-D405 PolarHBondContact O-N 3.1Å; T403-D405 PolarHBondContact O-N 3.05Å; D405-F407 PolarHBondContact O-N 3.08Å; D405-K408 PolarHBondContact O-N 2.83Å; D405-K408 VanDerWaalsContact O-N 3.08Å; D405-R409 PolarHBondContact O-N 3.35Å
406	L	70.7	Confident	78.6	Confident	40 Å²	40	68.3 Å²	68.3	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-56.7	-34.4	172.8	-71.1	167.5	0	0	0	111.8	V369 G402 A495 A499	V369-L406 HydrophobicContact CG1-CD2 4.17Å; G402-L406 WeakPolarHBondContact O-CD1 3.28Å; G402-L406 WeakPolarHBondContact O-CG 2.95Å; G402-L406 PolarHBondContact O-N 2.95Å; G402-L406 VanDerWaalsContact O-N 3.11Å; L406-A495 HydrophobicContact CD2-CB 3.66Å; L406-A495 WeakPolarHBondContact CD2-O 3.5Å; L406-A499 HydrophobicContact CD1-CB 3.85Å
407	F	70.3	Confident	79.4	Confident	165 Å²	165	68.1 Å²	68.1	72%	0.724	34%	0.339	S	S	*	.	H	α-helix	trans	-75.8	-34	174.8	-73.6	-69.2	0	0	0	113.9	T403 K404 D405 R409	T403-F407 HydrophobicContact CG2-CD2 4.18Å; T403-F407 HydrophobicContact CG2-CE2 3.66Å; T403-F407 WeakPolarHBondContact O-CD2 3.29Å; T403-F407 PolarHBondContact O-N 2.99Å; K404-F407 PolarHBondContact O-N 3.14Å; D405-F407 PolarHBondContact O-N 3.08Å; F407-R409 PolarHBondContact O-N 3.07Å
408	K	72.9	Confident	80.2	Confident	140 Å²	140	66.8 Å²	66.8	61%	0.609	33%	0.33	S	S	*	.	H	α-helix	trans	-68.9	-19.1	-178.9	-74.4	-179.1	178.6	177	0	113.8	K404 D405 A410	K404-K408 PolarHBondContact O-N 3.29Å; D405-K408 PolarHBondContact O-N 2.83Å; D405-K408 VanDerWaalsContact O-N 3.08Å; K408-A410 PolarHBondContact O-N 3.46Å
409	R	72.4	Confident	81.3	Confident	178 Å²	178	65.2 Å²	65.2	67%	0.672	33%	0.329	S	S	*	.			trans	51.1	26	179.9	-64.3	-176.2	174.2	-176	-2	114.3	D405 F407 W411 K412	D405-R409 PolarHBondContact O-N 3.35Å; F407-R409 PolarHBondContact O-N 3.07Å; R409-W411 PolarHBondContact O-N 3.46Å; R409-K412 HydrophobicContact CB-CB 4.36Å; R409-K412 HydrophobicContact CB-CD 4.42Å; R409-K412 WeakPolarHBondContact O-CB 3.44Å; R409-K412 WeakPolarHBondContact O-CG 3.3Å; R409-K412 PolarHBondContact O-N 3.04Å; R409-K412 VanDerWaalsContact O-N 3.17Å
410	A	73.1	Confident	82.3	Confident	63 Å²	63	63.4 Å²	63.4	52%	0.521	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	-172.8	0	0	0	0	0	114.1	K408	K408-A410 PolarHBondContact O-N 3.46Å
411	W	82.4	Confident	83.3	Confident	37 Å²	37	63.2 Å²	63.2	14%	0.14	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	26.8	-177.2	-59.3	103	0	0	0	112.8	V369 H372 R409 D413 L414 V523 I524 P525	V369-W411 HydrophobicContact CG2-CB 3.73Å; V369-W411 HydrophobicContact CG2-CG 4.47Å; H372-W411 AromaticContact CD2-NE1 3.54Å; H372-W411 AromaticContact CG-NE1 3.42Å; R409-W411 PolarHBondContact O-N 3.46Å; W411-D413 PolarHBondContact O-N 3.42Å; W411-L414 WeakPolarHBondContact O-CB 3.49Å; W411-L414 PolarHBondContact O-N 2.93Å; W411-V523 WeakPolarHBondContact CH2-O 3.43Å; W411-I524 HydrophobicContact CE3-CG2 4.3Å; W411-I524 HydrophobicContact CZ3-CB 4.24Å; W411-I524 HydrophobicContact CZ3-CG1 3.96Å; W411-I524 HydrophobicContact CZ3-CG2 4.02Å; W411-P525 HydrophobicContact CD2-CG 4.3Å; W411-P525 HydrophobicContact CH2-CG 4.12Å; W411-P525 HydrophobicContact CZ2-CG 3.5Å
412	K	82.9	Confident	84.1	Confident	105 Å²	105	62.3 Å²	62.3	46%	0.457	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.7	177.3	67.2	176.3	-172	169.8	0	113	R409 H437	R409-K412 HydrophobicContact CB-CB 4.36Å; R409-K412 HydrophobicContact CB-CD 4.42Å; R409-K412 WeakPolarHBondContact O-CB 3.44Å; R409-K412 WeakPolarHBondContact O-CG 3.3Å; R409-K412 PolarHBondContact O-N 3.04Å; R409-K412 VanDerWaalsContact O-N 3.17Å; K412-H437 PolarHBondContact O-CD2 3.22Å; K412-H437 VanDerWaalsContact O-CD2 3.23Å; K412-H437 PolarHBondContact O-NE2 3.43Å
413	D	87.1	Confident	85.2	Confident	73 Å²	73	65.8 Å²	65.8	39%	0.39	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	15.6	-176.3	-54.3	-47.2	0	0	0	111.9	W411 S415 E416 Y417	W411-D413 PolarHBondContact O-N 3.42Å; D413-S415 PolarHBondContact O-N 3.16Å; D413-E416 WeakPolarHBondContact O-CB 3.46Å; D413-E416 PolarHBondContact O-N 3Å; D413-Y417 HydrophobicContact CB-CD2 4.46Å; D413-Y417 HydrophobicContact CB-CE2 3.78Å; D413-Y417 WeakPolarHBondContact O-CD2 3.45Å; D413-Y417 WeakPolarHBondContact O-CE2 3.33Å
414	L	92.7	Very high	86.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-50.9	-43.3	-177.9	174.2	71	0	0	0	111.9	I367 W411 E416 Y417 I418 H437 I524	I367-L414 HydrophobicContact CG1-CD1 4.32Å; W411-L414 WeakPolarHBondContact O-CB 3.49Å; W411-L414 PolarHBondContact O-N 2.93Å; L414-E416 PolarHBondContact O-N 3.33Å; L414-E416 VanDerWaalsContact O-N 3.13Å; L414-Y417 PolarHBondContact O-N 2.79Å; L414-I418 HydrophobicContact CD1-CG2 3.95Å; L414-I418 HydrophobicContact CD2-CD1 4.36Å; L414-I418 HydrophobicContact CG-CD1 4.13Å; L414-I418 HydrophobicContact CG-CG2 4.48Å; L414-I418 PolarHBondContact O-N 3.13Å; L414-H437 WeakPolarHBondContact CD2-O 3.42Å; L414-I524 HydrophobicContact CD1-CD1 3.98Å; L414-I524 HydrophobicContact CD1-CG2 3.91Å
415	S	93.4	Very high	87	Confident	6 Å²	6	62 Å²	62	4%	0.042	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27	179.1	57.8	0	0	0	0	113.7	D413 Y417 K432 L436	D413-S415 PolarHBondContact O-N 3.16Å; S415-Y417 VanDerWaalsContact C-N 3.33Å; S415-K432 WeakPolarHBondContact O-CG 3.3Å; S415-L436 PolarHBondContact N-O 2.92Å
416	E	93.6	Very high	88.3	Confident	84 Å²	84	67 Å²	67	39%	0.393	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-82.1	-8.1	177.6	-62.5	-48.3	132.4	0	0	114.1	D413 L414 K432 R521	D413-E416 WeakPolarHBondContact O-CB 3.46Å; D413-E416 PolarHBondContact O-N 3Å; L414-E416 PolarHBondContact O-N 3.33Å; L414-E416 VanDerWaalsContact O-N 3.13Å; E416-K432 WeakPolarHBondContact OE2-CE 3.49Å; E416-K432 IonicContact OE2-NZ 2.79Å; E416-K432 PolarHBondContact OE2-NZ 3.43Å; E416-R521 PolarHBondContact O-NE 3.37Å; E416-R521 PolarHBondContact O-NH2 2.92Å
417	Y	94.1	Very high	89.5	Confident	86 Å²	86	66.5 Å²	66.5	34%	0.337	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-1	-177.6	-58.9	-69.2	0	0	0	114.2	D413 L414 S415 T520 R521 K522	D413-Y417 HydrophobicContact CB-CD2 4.46Å; D413-Y417 HydrophobicContact CB-CE2 3.78Å; D413-Y417 WeakPolarHBondContact O-CD2 3.45Å; D413-Y417 WeakPolarHBondContact O-CE2 3.33Å; L414-Y417 PolarHBondContact O-N 2.79Å; S415-Y417 VanDerWaalsContact C-N 3.33Å; Y417-T520 CarbonylContact O-C 3.6Å; Y417-T520 WeakPolarHBondContact O-CA 3.12Å; Y417-R521 PolarHBondContact O-N 3.04Å; Y417-K522 HydrophobicContact CD1-CB 4.19Å; Y417-K522 HydrophobicContact CG-CB 4.3Å
418	I	96.6	Very high	90.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.3	178.5	67.8	175.9	0	0	0	111.7	I367 L414 I431 L518 A519 T520 R521 I524	I367-I418 HydrophobicContact CD1-CG2 4.18Å; L414-I418 HydrophobicContact CD1-CG2 3.95Å; L414-I418 HydrophobicContact CD2-CD1 4.36Å; L414-I418 HydrophobicContact CG-CD1 4.13Å; L414-I418 HydrophobicContact CG-CG2 4.48Å; L414-I418 PolarHBondContact O-N 3.13Å; I418-I431 HydrophobicContact CD1-CD1 4.25Å; I418-I431 HydrophobicContact CD1-CG2 4.04Å; I418-I431 HydrophobicContact CG1-CG2 4.16Å; I418-L518 HydrophobicContact CB-CD1 3.97Å; I418-L518 HydrophobicContact CD1-CD1 4.32Å; I418-L518 HydrophobicContact CG2-CD1 4.44Å; I418-A519 CarbonylContact C-O 3.59Å; I418-A519 VanDerWaalsContact CA-O 3.29Å; I418-A519 WeakPolarHBondContact CA-O 3.47Å; I418-T520 HydrophobicContact CG2-CG2 4.24Å; I418-R521 PolarHBondContact O-NH2 3.05Å; I418-I524 HydrophobicContact CG2-CD1 3.85Å
419	S	97.5	Very high	91.8	Very high	29 Å²	29	55.3 Å²	55.3	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.1	165.8	51.4	0	0	0	0	108.8	T428 L518 A519	S419-T428 VanDerWaalsContact CA-OG1 3.25Å; S419-T428 WeakPolarHBondContact CA-OG1 3.44Å; S419-T428 VanDerWaalsContact CB-OG1 3.25Å; S419-T428 WeakPolarHBondContact CB-OG1 3.41Å; S419-L518 WeakPolarHBondContact O-CA 3.35Å; S419-A519 PolarHBondContact N-O 2.92Å; S419-A519 PolarHBondContact O-N 3.04Å; S419-A519 WeakPolarHBondContact OG-CB 3.29Å
420	L	98.4	Very high	92.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.9	-173.5	176.4	70.3	0	0	0	110.1	H427 T428 I431 L439 V490 I510 L516	L420-H427 HydrophobicContact CB-CB 4.49Å; L420-H427 HydrophobicContact CD2-CB 4.04Å; L420-H427 HydrophobicContact CG-CB 4.34Å; L420-H427 PolarHBondContact O-N 3.25Å; L420-T428 PolarHBondContact N-OG1 2.87Å; L420-I431 HydrophobicContact CB-CD1 3.38Å; L420-I431 HydrophobicContact CD2-CD1 3.71Å; L420-I431 HydrophobicContact CG-CD1 4.17Å; L420-L439 HydrophobicContact CD1-CD2 4.17Å; L420-L439 HydrophobicContact CD2-CD1 4.41Å; L420-L439 HydrophobicContact CD2-CD2 4.15Å; L420-V490 HydrophobicContact CD2-CG1 3.93Å; L420-I510 HydrophobicContact CD2-CG2 3.96Å; L420-L516 HydrophobicContact CD1-CD1 3.74Å; L420-L516 HydrophobicContact CD1-CD2 4.05Å; L420-L516 HydrophobicContact CD1-CG 3.67Å
421	E	97.8	Very high	93.9	Very high	62 Å²	62	47.4 Å²	47.4	29%	0.29	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	170.7	-175.4	-169.8	151.8	0	0	108.9	G424 I425 L516 R517	E421-G424 VanDerWaalsContact OE1-CA 3.3Å; E421-G424 WeakPolarHBondContact OE1-CA 3.36Å; E421-I425 WeakPolarHBondContact CA-O 3.05Å; E421-L516 WeakPolarHBondContact O-CA 3.41Å; E421-R517 HydrophobicContact CB-CB 4.32Å; E421-R517 PolarHBondContact N-O 3.37Å; E421-R517 PolarHBondContact O-N 2.95Å; E421-R517 IonicContact OE2-NH1 2.73Å
422	C	97	Very high	94.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.2	178.3	-63.9	0	0	0	0	108.9	G424 I425 A511 C513	C422-G424 PolarHBondContact O-N 3.46Å; C422-G424 VanDerWaalsContact O-N 3.16Å; C422-I425 PolarHBondContact N-O 3.42Å; C422-I425 WeakPolarHBondContact O-CB 3.41Å; C422-I425 PolarHBondContact O-N 2.94Å; C422-A511 HydrophobicContact CB-CB 4.03Å; C422-C513 HydrophobicContact CB-CB 3.79Å
423	D	95.4	Very high	95.1	Very high	81 Å²	81	52.4 Å²	52.4	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	39.8	-176.5	-62.1	-28.4	0	0	0	113.7	I425 C513 C514 Y515	D423-I425 VanDerWaalsContact C-N 3.33Å; D423-I425 PolarHBondContact O-N 3.08Å; D423-C513 HydrophobicContact CB-CB 4.45Å; D423-C513 WeakPolarHBondContact OD2-CA 3.12Å; D423-C513 WeakPolarHBondContact OD2-CB 3.32Å; D423-C514 PolarHBondContact OD1-N 2.9Å; D423-C514 PolarHBondContact OD2-N 3.28Å; D423-C514 VanDerWaalsContact OD2-N 3.14Å; D423-Y515 PolarHBondContact N-O 2.89Å; D423-Y515 PolarHBondContact OD1-N 2.87Å
424	G	93.8	Very high	95.4	Very high	53 Å²	53	51.8 Å²	51.8	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-5.5	-178.2	0	0	0	0	0	115.5	E421 C422	E421-G424 VanDerWaalsContact OE1-CA 3.3Å; E421-G424 WeakPolarHBondContact OE1-CA 3.36Å; C422-G424 PolarHBondContact O-N 3.46Å; C422-G424 VanDerWaalsContact O-N 3.16Å
425	I	95.7	Very high	95.4	Very high	88 Å²	88	52.9 Å²	52.9	45%	0.451	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.9	-178.7	-55.9	175.9	0	0	0	109.7	E421 C422 D423 H427	E421-I425 WeakPolarHBondContact CA-O 3.05Å; C422-I425 PolarHBondContact N-O 3.42Å; C422-I425 WeakPolarHBondContact O-CB 3.41Å; C422-I425 PolarHBondContact O-N 2.94Å; D423-I425 VanDerWaalsContact C-N 3.33Å; D423-I425 PolarHBondContact O-N 3.08Å; I425-H427 PolarHBondContact O-CD2 2.93Å; I425-H427 PolarHBondContact O-N 3.35Å
426	D	96.7	Very high	95.4	Very high	111 Å²	111	52.7 Å²	52.7	59%	0.594	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	122	175.6	-173.9	7	0	0	0	111.3	T428	D426-T428 WeakPolarHBondContact OD1-CB 3.41Å; D426-T428 PolarHBondContact OD1-N 2.68Å; D426-T428 PolarHBondContact OD1-OG1 3.41Å
427	H	96.4	Very high	95.4	Very high	29 Å²	29	50.5 Å²	50.5	13%	0.134	28%	0.279	C	S	.	.			trans	-109.7	5.7	176.7	-71	-57.7	0	0	0	113.1	L420 I425 G429 K430 I431 I510	L420-H427 HydrophobicContact CB-CB 4.49Å; L420-H427 HydrophobicContact CD2-CB 4.04Å; L420-H427 HydrophobicContact CG-CB 4.34Å; L420-H427 PolarHBondContact O-N 3.25Å; I425-H427 PolarHBondContact O-CD2 2.93Å; I425-H427 PolarHBondContact O-N 3.35Å; H427-G429 VanDerWaalsContact C-N 3.33Å; H427-G429 PolarHBondContact O-N 3.32Å; H427-K430 WeakPolarHBondContact O-CB 3.35Å; H427-K430 PolarHBondContact O-N 3.02Å; H427-K430 VanDerWaalsContact O-N 3.12Å; H427-I431 WeakPolarHBondContact O-CG1 3.47Å; H427-I431 PolarHBondContact O-N 3.45Å; H427-I510 HydrophobicContact CB-CG2 4.11Å
428	T	96.6	Very high	95.5	Very high	21 Å²	21	46.5 Å²	46.5	13%	0.129	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-44.4	-177.1	-56.2	0	0	0	0	112.1	S419 L420 D426 K430 I431 K432	S419-T428 VanDerWaalsContact CA-OG1 3.25Å; S419-T428 WeakPolarHBondContact CA-OG1 3.44Å; S419-T428 VanDerWaalsContact CB-OG1 3.25Å; S419-T428 WeakPolarHBondContact CB-OG1 3.41Å; L420-T428 PolarHBondContact N-OG1 2.87Å; D426-T428 WeakPolarHBondContact OD1-CB 3.41Å; D426-T428 PolarHBondContact OD1-N 2.68Å; D426-T428 PolarHBondContact OD1-OG1 3.41Å; T428-K430 VanDerWaalsContact C-N 3.35Å; T428-K430 PolarHBondContact O-N 3.37Å; T428-I431 PolarHBondContact O-N 3.47Å; T428-K432 PolarHBondContact O-N 3.47Å; T428-K432 VanDerWaalsContact O-N 3.12Å
429	G	95.1	Very high	95.5	Very high	50 Å²	50	46.5 Å²	46.5	52%	0.515	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-44.5	176.7	0	0	0	0	0	112.7	H427 I431 K432 E433	H427-G429 VanDerWaalsContact C-N 3.33Å; H427-G429 PolarHBondContact O-N 3.32Å; G429-I431 PolarHBondContact O-N 2.97Å; G429-K432 PolarHBondContact O-N 3.4Å; G429-E433 WeakPolarHBondContact O-CB 3.5Å; G429-E433 PolarHBondContact O-N 3.29Å
430	K	93.4	Very high	95.5	Very high	75 Å²	75	45.1 Å²	45.1	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-38.8	177.9	-177.2	177.8	176.2	-176.2	0	112.1	H427 T428 L434 R509 I510	H427-K430 WeakPolarHBondContact O-CB 3.35Å; H427-K430 PolarHBondContact O-N 3.02Å; H427-K430 VanDerWaalsContact O-N 3.12Å; T428-K430 VanDerWaalsContact C-N 3.35Å; T428-K430 PolarHBondContact O-N 3.37Å; K430-L434 HydrophobicContact CG-CD1 3.93Å; K430-L434 WeakPolarHBondContact O-CB 3.38Å; K430-L434 WeakPolarHBondContact O-CD1 3.33Å; K430-L434 WeakPolarHBondContact O-CG 3.33Å; K430-L434 PolarHBondContact O-N 3.45Å; K430-L434 VanDerWaalsContact O-N 3.12Å; K430-R509 PolarHBondContact NZ-O 3.36Å; K430-I510 HydrophobicContact CD-CD1 4.48Å; K430-I510 PolarHBondContact NZ-O 2.97Å
431	I	95	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-43.3	176.2	-69.7	-179.3	0	0	0	111.2	I418 L420 H427 T428 G429 G435 L436 L439	I418-I431 HydrophobicContact CD1-CD1 4.25Å; I418-I431 HydrophobicContact CD1-CG2 4.04Å; I418-I431 HydrophobicContact CG1-CG2 4.16Å; L420-I431 HydrophobicContact CB-CD1 3.38Å; L420-I431 HydrophobicContact CD2-CD1 3.71Å; L420-I431 HydrophobicContact CG-CD1 4.17Å; H427-I431 WeakPolarHBondContact O-CG1 3.47Å; H427-I431 PolarHBondContact O-N 3.45Å; T428-I431 PolarHBondContact O-N 3.47Å; G429-I431 PolarHBondContact O-N 2.97Å; I431-G435 PolarHBondContact O-N 3.31Å; I431-L436 HydrophobicContact CB-CD1 4.33Å; I431-L436 HydrophobicContact CG1-CD1 4.06Å; I431-L436 HydrophobicContact CG2-CB 4.36Å; I431-L436 HydrophobicContact CG2-CD1 4.21Å; I431-L436 PolarHBondContact O-N 2.71Å; I431-L439 HydrophobicContact CD1-CD1 4.41Å
432	K	95.6	Very high	95.5	Very high	79 Å²	79	42.1 Å²	42.1	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-47.4	178.3	-70.1	-172.6	176.7	-143	0	112.4	S415 E416 T428 G429 L434 G435	S415-K432 WeakPolarHBondContact O-CG 3.3Å; E416-K432 WeakPolarHBondContact OE2-CE 3.49Å; E416-K432 IonicContact OE2-NZ 2.79Å; E416-K432 PolarHBondContact OE2-NZ 3.43Å; T428-K432 PolarHBondContact O-N 3.47Å; T428-K432 VanDerWaalsContact O-N 3.12Å; G429-K432 PolarHBondContact O-N 3.4Å; K432-L434 PolarHBondContact O-N 3.05Å; K432-G435 PolarHBondContact O-N 3.03Å
433	E	94.2	Very high	95.6	Very high	167 Å²	167	42 Å²	42	78%	0.78	24%	0.24	S	C	*	.	H	α-helix	trans	-55.7	-41.6	177.1	-174	-170.5	163.2	0	0	112	G429 G435	G429-E433 WeakPolarHBondContact O-CB 3.5Å; G429-E433 PolarHBondContact O-N 3.29Å; E433-G435 VanDerWaalsContact C-N 3.31Å; E433-G435 PolarHBondContact O-N 3.07Å
434	L	93.5	Very high	95.7	Very high	60 Å²	60	38.1 Å²	38.1	31%	0.314	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-10	-179.8	-67.7	171.2	0	0	0	114.2	K430 K432 L436 V508 I510	K430-L434 HydrophobicContact CG-CD1 3.93Å; K430-L434 WeakPolarHBondContact O-CB 3.38Å; K430-L434 WeakPolarHBondContact O-CD1 3.33Å; K430-L434 WeakPolarHBondContact O-CG 3.33Å; K430-L434 PolarHBondContact O-N 3.45Å; K430-L434 VanDerWaalsContact O-N 3.12Å; K432-L434 PolarHBondContact O-N 3.05Å; L434-L436 HydrophobicContact CB-CD2 3.69Å; L434-L436 HydrophobicContact CB-CG 3.85Å; L434-L436 HydrophobicContact CD1-CD2 4.32Å; L434-L436 PolarHBondContact O-N 2.74Å; L434-V508 HydrophobicContact CD1-CB 4.38Å; L434-V508 HydrophobicContact CD1-CG1 3.78Å; L434-I510 HydrophobicContact CD1-CD1 3.89Å
435	G	93.4	Very high	95.7	Very high	25 Å²	25	36.5 Å²	36.5	26%	0.258	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.6	-177.4	0	0	0	0	0	112.9	I431 K432 E433 H437	I431-G435 PolarHBondContact O-N 3.31Å; K432-G435 PolarHBondContact O-N 3.03Å; E433-G435 VanDerWaalsContact C-N 3.31Å; E433-G435 PolarHBondContact O-N 3.07Å; G435-H437 PolarHBondContact O-CD2 3.35Å; G435-H437 PolarHBondContact O-NE2 2.76Å
436	L	94.3	Very high	95.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.187	C	C	.	.			trans	-69.5	134.3	-175	-57.6	-179.9	0	0	0	111.6	S415 I431 L434 L439 I510	S415-L436 PolarHBondContact N-O 2.92Å; I431-L436 HydrophobicContact CB-CD1 4.33Å; I431-L436 HydrophobicContact CG1-CD1 4.06Å; I431-L436 HydrophobicContact CG2-CB 4.36Å; I431-L436 HydrophobicContact CG2-CD1 4.21Å; I431-L436 PolarHBondContact O-N 2.71Å; L434-L436 HydrophobicContact CB-CD2 3.69Å; L434-L436 HydrophobicContact CB-CG 3.85Å; L434-L436 HydrophobicContact CD1-CD2 4.32Å; L434-L436 PolarHBondContact O-N 2.74Å; L436-L439 HydrophobicContact CD1-CD1 4.49Å; L436-I510 HydrophobicContact CD1-CD1 4.07Å
437	H	93.9	Very high	95.5	Very high	37 Å²	37	29.5 Å²	29.5	17%	0.171	16%	0.159	C	C	.	.	S	Bend	trans	-103	-9.5	176.7	-54.8	172.7	0	0	0	112.7	V369 K412 L414 G435 F493 A495	V369-H437 HydrophobicContact CG2-CB 3.75Å; V369-H437 WeakPolarHBondContact CG2-O 3.42Å; V369-H437 PolarHBondContact N-O 2.75Å; K412-H437 PolarHBondContact O-CD2 3.22Å; K412-H437 VanDerWaalsContact O-CD2 3.23Å; K412-H437 PolarHBondContact O-NE2 3.43Å; L414-H437 WeakPolarHBondContact CD2-O 3.42Å; G435-H437 PolarHBondContact O-CD2 3.35Å; G435-H437 PolarHBondContact O-NE2 2.76Å; H437-F493 PolarHBondContact N-O 2.89Å; H437-A495 WeakPolarHBondContact ND1-CB 3.44Å; H437-A495 PolarHBondContact ND1-N 3.04Å; H437-A495 VanDerWaalsContact ND1-N 3.2Å
438	C	94.6	Very high	95.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	136.8	177.3	167.5	0	0	0	0	109.2	I367 D370 F493	I367-C438 WeakPolarHBondContact O-CA 3.17Å; D370-C438 VanDerWaalsContact CB-SG 3.58Å; C438-F493 HydrophobicContact CB-CB 4.03Å; C438-F493 PolarHBondContact N-O 3.28Å; C438-F493 PolarHBondContact O-N 2.85Å
439	L	97.5	Very high	94.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	167.9	-168.9	76	0	0	0	107.7	S366 I367 L420 I431 L436 I441 V490 I510 L518	S366-L439 WeakPolarHBondContact CA-O 3.42Å; I367-L439 HydrophobicContact CG2-CB 3.65Å; I367-L439 PolarHBondContact N-O 2.94Å; I367-L439 PolarHBondContact O-N 3.49Å; I367-L439 VanDerWaalsContact O-N 3.12Å; L420-L439 HydrophobicContact CD1-CD2 4.17Å; L420-L439 HydrophobicContact CD2-CD1 4.41Å; L420-L439 HydrophobicContact CD2-CD2 4.15Å; I431-L439 HydrophobicContact CD1-CD1 4.41Å; L436-L439 HydrophobicContact CD1-CD1 4.49Å; L439-I441 HydrophobicContact CD2-CD1 4.02Å; L439-I441 HydrophobicContact CG-CD1 4.06Å; L439-V490 HydrophobicContact CD1-CG1 3.77Å; L439-V490 HydrophobicContact CD2-CG1 4.42Å; L439-V490 HydrophobicContact CG-CG1 4.17Å; L439-I510 HydrophobicContact CD1-CG1 4.43Å; L439-L518 HydrophobicContact CD2-CD1 4.23Å
440	L	97.9	Very high	94.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.5	-176.9	178.6	65	0	0	0	108.8	L442 Y447 P453 V491 F493	L440-L442 HydrophobicContact CD1-CD2 4.08Å; L440-L442 HydrophobicContact CD2-CD1 4.22Å; L440-L442 HydrophobicContact CD2-CD2 3.81Å; L440-L442 HydrophobicContact CD2-CG 4.16Å; L440-L442 HydrophobicContact CG-CD1 4.44Å; L440-L442 HydrophobicContact CG-CD2 3.81Å; L440-L442 HydrophobicContact CG-CG 3.95Å; L440-Y447 HydrophobicContact CD1-CD2 4.19Å; L440-Y447 HydrophobicContact CD1-CE2 4.06Å; L440-Y447 HydrophobicContact CD2-CD1 3.85Å; L440-Y447 HydrophobicContact CD2-CD2 4.43Å; L440-Y447 HydrophobicContact CD2-CE1 4.21Å; L440-Y447 HydrophobicContact CD2-CG 4Å; L440-P453 HydrophobicContact CD2-CB 3.81Å; L440-P453 HydrophobicContact CD2-CG 3.61Å; L440-V491 HydrophobicContact CB-CB 4.42Å; L440-V491 PolarHBondContact N-O 3.23Å; L440-V491 PolarHBondContact O-N 3.22Å; L440-F493 HydrophobicContact CB-CD2 4.36Å; L440-F493 HydrophobicContact CB-CE2 4.21Å; L440-F493 HydrophobicContact CD2-CE2 3.84Å
441	I	98.4	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.6	176.9	-65.5	83.4	0	0	0	106.9	M361 Y364 F365 L439 I488 E489 L516 I542	M361-I441 HydrophobicContact CE-CG2 4.06Å; M361-I441 HydrophobicContact SD-CG2 4.39Å; Y364-I441 CarbonylContact C-O 3.5Å; Y364-I441 WeakPolarHBondContact CA-O 3.44Å; Y364-I441 VanDerWaalsContact CB-O 3.3Å; Y364-I441 WeakPolarHBondContact CB-O 3.45Å; F365-I441 HydrophobicContact CB-CB 4.26Å; F365-I441 HydrophobicContact CD1-CD1 3.63Å; F365-I441 HydrophobicContact CD1-CG1 4.45Å; F365-I441 HydrophobicContact CE1-CD1 4.2Å; F365-I441 PolarHBondContact N-O 3Å; F365-I441 PolarHBondContact O-N 3.24Å; L439-I441 HydrophobicContact CD2-CD1 4.02Å; L439-I441 HydrophobicContact CG-CD1 4.06Å; I441-I488 HydrophobicContact CG2-CB 3.91Å; I441-I488 HydrophobicContact CG2-CD1 3.57Å; I441-I488 HydrophobicContact CG2-CG1 4.27Å; I441-I488 HydrophobicContact CG2-CG2 4.11Å; I441-E489 CarbonylContact C-O 3.59Å; I441-E489 WeakPolarHBondContact CA-O 3.49Å; I441-L516 HydrophobicContact CD1-CD1 4.39Å; I441-L516 HydrophobicContact CG1-CD1 3.67Å; I441-I542 HydrophobicContact CB-CD1 4.43Å; I441-I542 HydrophobicContact CG1-CD1 4.39Å; I441-I542 HydrophobicContact CG2-CD1 4.06Å
442	L	98.1	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.4	-174.3	-61.2	162.8	0	0	0	110	Y364 L440 Y447 P453 I488 E489 V491	Y364-L442 HydrophobicContact CD1-CD2 4.49Å; L440-L442 HydrophobicContact CD1-CD2 4.08Å; L440-L442 HydrophobicContact CD2-CD1 4.22Å; L440-L442 HydrophobicContact CD2-CD2 3.81Å; L440-L442 HydrophobicContact CD2-CG 4.16Å; L440-L442 HydrophobicContact CG-CD1 4.44Å; L440-L442 HydrophobicContact CG-CD2 3.81Å; L440-L442 HydrophobicContact CG-CG 3.95Å; L442-Y447 HydrophobicContact CD2-CD2 4.48Å; L442-P453 HydrophobicContact CD1-CB 3.73Å; L442-P453 HydrophobicContact CD1-CG 3.98Å; L442-P453 HydrophobicContact CD2-CG 4.45Å; L442-I488 WeakPolarHBondContact O-CA 3.43Å; L442-E489 HydrophobicContact CB-CB 4.13Å; L442-E489 PolarHBondContact N-O 3.15Å; L442-E489 PolarHBondContact O-N 2.81Å; L442-V491 HydrophobicContact CD1-CG2 3.9Å
443	N	98	Very high	94	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-96.9	-31.8	159.3	-179.7	52.8	0	0	0	111.1	F330 D331 W333 M361 N362 N363 Y483	F330-N443 WeakPolarHBondContact CZ-ND2 3.02Å; D331-N443 WeakPolarHBondContact CB-OD1 3.42Å; D331-N443 PolarHBondContact O-ND2 3.19Å; W333-N443 VanDerWaalsContact NE1-CG 3.34Å; W333-N443 PolarHBondContact NE1-OD1 2.97Å; M361-N443 HydrophobicContact CE-CB 4.15Å; N362-N443 PolarHBondContact O-ND2 3.09Å; N363-N443 PolarHBondContact O-N 3.26Å; N443-Y483 WeakPolarHBondContact O-CB 3.24Å
444	I	96.9	Very high	94	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-109.9	147.3	176.7	62.3	169.8	0	0	0	111.7	D298 L299 T302 F330 N363 Y364 K446	D298-I444 HydrophobicContact CB-CD1 3.95Å; L299-I444 HydrophobicContact CB-CD1 4.42Å; L299-I444 HydrophobicContact CD1-CG2 4.08Å; T302-I444 HydrophobicContact CG2-CB 4.09Å; T302-I444 HydrophobicContact CG2-CG2 4.11Å; F330-I444 HydrophobicContact CE2-CG2 3.6Å; F330-I444 HydrophobicContact CZ-CG2 4.11Å; N363-I444 HydrophobicContact CB-CD1 3.74Å; N363-I444 HydrophobicContact CB-CG1 3.98Å; N363-I444 PolarHBondContact O-N 2.78Å; Y364-I444 HydrophobicContact CD1-CG1 4.41Å; I444-K446 WeakPolarHBondContact CG1-O 3.36Å; I444-K446 PolarHBondContact O-N 3.34Å
445	P	94	Very high	93.6	Very high	18 Å²	18	14.6 Å²	14.6	12%	0.117	10%	0.1	C	C	.	.	S	Bend	trans	-69.4	-17.1	-177.2	27.2	-37	0	0	0	114.1	T302 M452 P481	T302-P445 HydrophobicContact CG2-CG 4.08Å; P445-M452 HydrophobicContact CB-CE 4.27Å; P445-M452 WeakPolarHBondContact O-CA 3.03Å; P445-P481 HydrophobicContact CB-CB 4.38Å; P445-P481 HydrophobicContact CB-CG 4Å
446	K	94.3	Very high	92.7	Very high	47 Å²	47	18.7 Å²	18.7	20%	0.204	12%	0.117	C	C	.	.			trans	-101.4	138	-176	-69.6	-177.7	177.8	-76.4	0	111.9	D298 Q301 I444 T451 M452	D298-K446 HydrophobicContact CB-CB 4.34Å; Q301-K446 HydrophobicContact CB-CD 3.35Å; Q301-K446 HydrophobicContact CG-CD 4.49Å; I444-K446 WeakPolarHBondContact CG1-O 3.36Å; I444-K446 PolarHBondContact O-N 3.34Å; K446-T451 CarbonylContact C-O 3.6Å; K446-T451 VanDerWaalsContact CA-O 3.29Å; K446-T451 WeakPolarHBondContact CA-O 3.39Å; K446-M452 HydrophobicContact CG-CG 4.5Å
447	Y	93.6	Very high	91.2	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-145.3	159.2	-178.7	-176.4	-110.4	0	0	0	111.2	Y364 D370 L440 L442 G449 G450 T451 P453 L501	Y364-Y447 AromaticContact CD1-CD2 3.54Å; Y364-Y447 HydrophobicContact CD1-CD2 3.54Å; Y364-Y447 HydrophobicContact CD1-CE2 4.11Å; Y364-Y447 HydrophobicContact CD2-CD2 4.03Å; Y364-Y447 AromaticContact CD2-CE2 3.73Å; Y364-Y447 HydrophobicContact CD2-CE2 3.73Å; Y364-Y447 AromaticContact CE1-CD2 3.5Å; Y364-Y447 HydrophobicContact CE1-CD2 3.5Å; Y364-Y447 AromaticContact CE1-CE2 3.97Å; Y364-Y447 HydrophobicContact CE1-CE2 3.97Å; Y364-Y447 AromaticContact CE2-CD2 3.98Å; Y364-Y447 HydrophobicContact CE2-CD2 3.98Å; Y364-Y447 AromaticContact CE2-CE2 3.56Å; Y364-Y447 HydrophobicContact CE2-CE2 3.56Å; Y364-Y447 AromaticContact CG-CD2 3.79Å; Y364-Y447 HydrophobicContact CG-CD2 3.79Å; Y364-Y447 AromaticContact CG-CE2 3.97Å; Y364-Y447 HydrophobicContact CG-CE2 3.97Å; Y364-Y447 AromaticContact CZ-CD2 3.7Å; Y364-Y447 AromaticContact CZ-CE2 3.67Å; D370-Y447 PolarHBondContact OD1-OH 2.98Å; D370-Y447 PolarHBondContact OD2-OH 2.82Å; L440-Y447 HydrophobicContact CD1-CD2 4.19Å; L440-Y447 HydrophobicContact CD1-CE2 4.06Å; L440-Y447 HydrophobicContact CD2-CD1 3.85Å; L440-Y447 HydrophobicContact CD2-CD2 4.43Å; L440-Y447 HydrophobicContact CD2-CE1 4.21Å; L440-Y447 HydrophobicContact CD2-CG 4Å; L442-Y447 HydrophobicContact CD2-CD2 4.48Å; Y447-G449 VanDerWaalsContact C-N 3.28Å; Y447-G449 PolarHBondContact O-N 3.18Å; Y447-G449 VanDerWaalsContact O-N 3.14Å; Y447-G450 PolarHBondContact O-N 3.3Å; Y447-G450 VanDerWaalsContact O-N 3.17Å; Y447-T451 PolarHBondContact N-O 2.78Å; Y447-T451 WeakPolarHBondContact O-CA 3.43Å; Y447-T451 WeakPolarHBondContact O-CB 3.45Å; Y447-T451 PolarHBondContact O-N 3.12Å; Y447-T451 PolarHBondContact O-OG1 2.97Å; Y447-P453 VanDerWaalsContact CB-CG 3.46Å; Y447-P453 HydrophobicContact CD1-CG 4.05Å; Y447-P453 HydrophobicContact CG-CG 4.04Å; Y447-L501 HydrophobicContact CD1-CD2 4.07Å
448	A	88.5	Confident	89.3	Confident	25 Å²	25	24.2 Å²	24.2	21%	0.207	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	44.7	171.8	0	0	0	0	0	114.3	D298	D298-A448 PolarHBondContact OD2-N 3.16Å
449	G	86.1	Confident	87.2	Confident	40 Å²	40	25.8 Å²	25.8	41%	0.412	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	36.9	179.3	0	0	0	0	0	113.9	D298 Y447	D298-G449 VanDerWaalsContact OD1-CA 3.32Å; D298-G449 WeakPolarHBondContact OD1-CA 3.43Å; D298-G449 PolarHBondContact OD1-N 2.85Å; Y447-G449 VanDerWaalsContact C-N 3.28Å; Y447-G449 PolarHBondContact O-N 3.18Å; Y447-G449 VanDerWaalsContact O-N 3.14Å
450	G	89.2	Confident	84.7	Confident	17 Å²	17	31.1 Å²	31.1	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	4.6	172.2	0	0	0	0	0	116.3	D298 Y447	D298-G450 PolarHBondContact OD1-N 3.36Å; Y447-G450 PolarHBondContact O-N 3.3Å; Y447-G450 VanDerWaalsContact O-N 3.17Å
451	T	91.7	Very high	82.3	Confident	23 Å²	23	36.7 Å²	36.7	14%	0.141	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-64.7	161.6	169.6	70.3	0	0	0	0	110.5	K446 Y447 P453 L501	K446-T451 CarbonylContact C-O 3.6Å; K446-T451 VanDerWaalsContact CA-O 3.29Å; K446-T451 WeakPolarHBondContact CA-O 3.39Å; Y447-T451 PolarHBondContact N-O 2.78Å; Y447-T451 WeakPolarHBondContact O-CA 3.43Å; Y447-T451 WeakPolarHBondContact O-CB 3.45Å; Y447-T451 PolarHBondContact O-N 3.12Å; Y447-T451 PolarHBondContact O-OG1 2.97Å; T451-P453 WeakPolarHBondContact O-CD 3.19Å; T451-L501 HydrophobicContact CG2-CG 4.2Å; T451-L501 WeakPolarHBondContact OG1-CG 3.36Å
452	M	92.3	Very high	79.8	Confident	51 Å²	51	38.5 Å²	38.5	25%	0.251	23%	0.227	S	C	.	.			trans	-124.6	84.6	-176.4	-66.7	-177.6	66.8	0	0	110.6	P445 K446 W454 G455 N456	P445-M452 HydrophobicContact CB-CE 4.27Å; P445-M452 WeakPolarHBondContact O-CA 3.03Å; K446-M452 HydrophobicContact CG-CG 4.5Å; M452-W454 PolarHBondContact O-N 3.41Å; M452-G455 PolarHBondContact O-N 2.69Å; M452-N456 HydrophobicContact CE-CB 4.35Å; M452-N456 VanDerWaalsContact CE-CG 3.47Å; M452-N456 WeakPolarHBondContact CE-OD1 3.45Å; M452-N456 PolarHBondContact SD-OD1 2.8Å
453	P	94.4	Very high	77.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-53	-38	-176.1	-30.6	36.8	0	0	0	114.6	L440 L442 Y447 T451 V491 F493 L501 R506 G507	L440-P453 HydrophobicContact CD2-CB 3.81Å; L440-P453 HydrophobicContact CD2-CG 3.61Å; L442-P453 HydrophobicContact CD1-CB 3.73Å; L442-P453 HydrophobicContact CD1-CG 3.98Å; L442-P453 HydrophobicContact CD2-CG 4.45Å; Y447-P453 VanDerWaalsContact CB-CG 3.46Å; Y447-P453 HydrophobicContact CD1-CG 4.05Å; Y447-P453 HydrophobicContact CG-CG 4.04Å; T451-P453 WeakPolarHBondContact O-CD 3.19Å; P453-V491 HydrophobicContact CB-CG1 4.32Å; P453-V491 HydrophobicContact CB-CG2 4.42Å; P453-F493 HydrophobicContact CB-CE2 4.06Å; P453-F493 HydrophobicContact CB-CZ 3.74Å; P453-F493 HydrophobicContact CG-CZ 4.49Å; P453-L501 HydrophobicContact CG-CD1 4.31Å; P453-L501 HydrophobicContact CG-CD2 4.2Å; P453-R506 WeakPolarHBondContact O-CB 3.37Å; P453-G507 PolarHBondContact O-N 3.25Å
454	W	92.8	Very high	74.5	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	29%	0.288	C	S	.	.	S	Bend	trans	-79.2	-29.9	177.9	-170.6	-93.7	0	0	0	112.9	M452 I478 S479 P481 E489 V491 R509 A511 Q512	M452-W454 PolarHBondContact O-N 3.41Å; W454-I478 HydrophobicContact CH2-CG2 4.31Å; W454-I478 HydrophobicContact CZ2-CG2 3.58Å; W454-S479 PolarHBondContact NE1-O 3.21Å; W454-P481 HydrophobicContact CB-CG 4.4Å; W454-P481 VanDerWaalsContact CD1-CD 3.44Å; W454-P481 HydrophobicContact CG-CB 4.24Å; W454-P481 HydrophobicContact CG-CG 4.21Å; W454-E489 HydrophobicContact CD2-CB 3.99Å; W454-E489 HydrophobicContact CD2-CG 3.55Å; W454-E489 HydrophobicContact CE3-CB 3.44Å; W454-E489 VanDerWaalsContact CE3-CB 3.44Å; W454-E489 HydrophobicContact CE3-CG 3.53Å; W454-E489 HydrophobicContact CG-CG 4.07Å; W454-E489 HydrophobicContact CH2-CB 4.45Å; W454-E489 HydrophobicContact CH2-CG 4.18Å; W454-E489 HydrophobicContact CZ2-CG 4.14Å; W454-E489 HydrophobicContact CZ3-CB 3.73Å; W454-E489 HydrophobicContact CZ3-CG 3.87Å; W454-V491 HydrophobicContact CE3-CG2 3.58Å; W454-V491 HydrophobicContact CZ3-CG2 4.23Å; W454-R509 HydrophobicContact CD2-CG 3.99Å; W454-R509 HydrophobicContact CE3-CB 4.29Å; W454-R509 HydrophobicContact CE3-CG 3.9Å; W454-R509 HydrophobicContact CH2-CB 3.85Å; W454-R509 HydrophobicContact CH2-CG 4.11Å; W454-R509 HydrophobicContact CZ2-CB 4.37Å; W454-R509 HydrophobicContact CZ2-CG 4.25Å; W454-R509 HydrophobicContact CZ3-CB 3.83Å; W454-R509 HydrophobicContact CZ3-CG 3.95Å; W454-R509 VanDerWaalsContact O-CZ 3.29Å; W454-R509 PolarHBondContact O-NE 3.2Å; W454-R509 PolarHBondContact O-NH2 2.98Å; W454-A511 WeakPolarHBondContact CH2-O 3.49Å; W454-A511 WeakPolarHBondContact CZ3-O 3.48Å; W454-Q512 HydrophobicContact CH2-CG 3.55Å; W454-Q512 HydrophobicContact CZ2-CG 3.59Å; W454-Q512 HydrophobicContact CZ3-CG 4.39Å
455	G	86.8	Confident	71.8	Confident	11 Å²	11	51.2 Å²	51.2	11%	0.113	31%	0.313	C	S	.	.			trans	82.5	178.7	-170.9	0	0	0	0	0	114.3	M452	M452-G455 PolarHBondContact O-N 2.69Å
456	N	74.2	Confident	69.3	Low	112 Å²	112	55.6 Å²	55.6	60%	0.599	34%	0.335	S	S	*	.	S	Bend	trans	-99.1	-11.1	-167.5	-54.4	24.7	0	0	0	113.9	M452	M452-N456 HydrophobicContact CE-CB 4.35Å; M452-N456 VanDerWaalsContact CE-CG 3.47Å; M452-N456 WeakPolarHBondContact CE-OD1 3.45Å; M452-N456 PolarHBondContact SD-OD1 2.8Å
457	Q	62.8	Low	66.6	Low	127 Å²	127	61.5 Å²	61.5	59%	0.593	36%	0.356	S	S	*	.	S	Bend	trans	-109.8	132.8	-172.3	-66.1	179.8	-15	0	0	110.9	R509	Q457-R509 VanDerWaalsContact O-CZ 3.3Å; Q457-R509 PolarHBondContact O-NH1 2.67Å; Q457-R509 PolarHBondContact O-NH2 2.84Å
458	A	53.1	Low	64.2	Low	27 Å²	27	63.2 Å²	63.2	22%	0.223	37%	0.372	C	S	.	.			trans	-54.7	145.6	157.3	0	0	0	0	0	108.6	N460 V480	A458-N460 PolarHBondContact O-N 2.8Å; A458-V480 HydrophobicContact CB-CG2 4.2Å
459	S	51	Low	62.2	Low	36 Å²	36	69.3 Å²	69.3	25%	0.252	41%	0.406	S	S	.	.			trans	-60.9	127.5	175.8	-178.3	0	0	0	0	109.1	L461 V462 S463	S459-L461 PolarHBondContact O-N 2.83Å; S459-V462 WeakPolarHBondContact O-CB 3.46Å; S459-V462 PolarHBondContact O-N 3.14Å; S459-S463 PolarHBondContact O-N 3.22Å
460	N	45.3	Very low	60	Low	113 Å²	113	73.6 Å²	73.6	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-54.2	-25.9	177.5	-74.8	-11.5	0	0	0	112.8	A458 V462 S463 L464	A458-N460 PolarHBondContact O-N 2.8Å; N460-V462 PolarHBondContact O-N 2.98Å; N460-S463 PolarHBondContact O-N 3.2Å; N460-L464 PolarHBondContact O-N 2.87Å
461	L	47.2	Very low	57.8	Low	118 Å²	118	79 Å²	79	62%	0.618	45%	0.445	S	S	*	.	H	α-helix	trans	-63.2	-29.5	176.1	-65.9	171.3	0	0	0	112.7	S459	S459-L461 PolarHBondContact O-N 2.83Å
462	V	45.8	Very low	55.8	Low	37 Å²	37	83.2 Å²	83.2	22%	0.224	48%	0.475	C	S	.	.	H	α-helix	trans	-80.2	-36.7	175.2	179	0	0	0	0	111.1	S459 N460 L464 G465 K477 I478	S459-V462 WeakPolarHBondContact O-CB 3.46Å; S459-V462 PolarHBondContact O-N 3.14Å; N460-V462 PolarHBondContact O-N 2.98Å; V462-L464 PolarHBondContact O-N 2.9Å; V462-G465 PolarHBondContact O-N 2.77Å; V462-K477 HydrophobicContact CG1-CB 4.46Å; V462-K477 HydrophobicContact CG1-CD 4.3Å; V462-K477 HydrophobicContact CG1-CG 3.37Å; V462-I478 HydrophobicContact CG2-CB 4.43Å
463	S	42.5	Very low	53.6	Low	92 Å²	92	86.8 Å²	86.8	64%	0.643	49%	0.494	S	S	*	.	H	α-helix	trans	-61.3	-23.9	173.9	-58.4	0	0	0	0	112.6	S459 N460	S459-S463 PolarHBondContact O-N 3.22Å; N460-S463 PolarHBondContact O-N 3.2Å
464	L	42.7	Very low	51.2	Low	123 Å²	123	91.2 Å²	91.2	64%	0.644	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.2	176.3	-70	169.9	0	0	0	114	N460 V462 L466	N460-L464 PolarHBondContact O-N 2.87Å; V462-L464 PolarHBondContact O-N 2.9Å; L464-L466 HydrophobicContact CB-CD1 4.03Å; L464-L466 HydrophobicContact CB-CG 4.06Å; L464-L466 HydrophobicContact CD1-CD1 4.36Å; L464-L466 PolarHBondContact O-N 2.89Å
465	G	39	Very low	49	Very low	52 Å²	52	95.2 Å²	95.2	54%	0.536	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	21.7	176.7	0	0	0	0	0	114.7	V462 W467	V462-G465 PolarHBondContact O-N 2.77Å; G465-W467 VanDerWaalsContact O-CD1 3.3Å; G465-W467 PolarHBondContact O-N 2.93Å
466	L	42.2	Very low	47.3	Very low	110 Å²	110	98.5 Å²	98.5	58%	0.576	56%	0.562	S	S	*	*			trans	-74	110.3	-178.5	-69.8	167.7	0	0	0	108.7	L464 I475	L464-L466 HydrophobicContact CB-CD1 4.03Å; L464-L466 HydrophobicContact CB-CG 4.06Å; L464-L466 HydrophobicContact CD1-CD1 4.36Å; L464-L466 PolarHBondContact O-N 2.89Å; L466-I475 VanDerWaalsContact O-CD1 3.24Å; L466-I475 WeakPolarHBondContact O-CD1 3.36Å
467	W	37.5	Very low	46.6	Very low	171 Å²	171	100.5 Å²	100.5	65%	0.648	57%	0.566	S	S	*	*			trans	-65.2	144.7	165.5	-64.2	70.4	0	0	0	108.1	G465 V469	G465-W467 VanDerWaalsContact O-CD1 3.3Å; G465-W467 PolarHBondContact O-N 2.93Å; W467-V469 PolarHBondContact O-N 3.07Å
468	A	43	Very low	46.9	Very low	42 Å²	42	96.4 Å²	96.4	35%	0.347	55%	0.547	S	S	.	.			trans	-55.4	139.3	170.1	0	0	0	0	0	107.2	N470 I475	A468-N470 CarbonylContact O-C 3.35Å; A468-N470 VanDerWaalsContact O-C 3.23Å; A468-N470 PolarHBondContact O-N 2.93Å; A468-I475 HydrophobicContact CB-CD1 3.86Å; A468-I475 HydrophobicContact CB-CG1 3.88Å
469	V	46	Very low	48.1	Very low	152 Å²	152	96.8 Å²	96.8	92%	0.921	55%	0.548	S	S	*	.	S	Bend	trans	-49.6	-10.4	-176.8	-92.3	0	0	0	0	115.3	W467	W467-V469 PolarHBondContact O-N 3.07Å
470	N	40.7	Very low	49.8	Very low	131 Å²	131	98.9 Å²	98.9	70%	0.701	56%	0.56	S	S	*	*	S	Bend	trans	-111.4	102.4	164.9	-67.1	-13.4	0	0	0	109.9	A468 S472	A468-N470 CarbonylContact O-C 3.35Å; A468-N470 VanDerWaalsContact O-C 3.23Å; A468-N470 PolarHBondContact O-N 2.93Å; N470-S472 PolarHBondContact O-N 2.98Å
471	N	43.3	Very low	51.9	Low	131 Å²	131	94.3 Å²	94.3	70%	0.701	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	32.1	-178.5	-91	-17.7	0	0	0	116.8
472	S	50	Low	54	Low	110 Å²	110	90.3 Å²	90.3	77%	0.769	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-7.4	-175.1	-51.3	0	0	0	0	114.8	N470	N470-S472 PolarHBondContact O-N 2.98Å
473	I	44.6	Very low	56.3	Low	127 Å²	127	89.6 Å²	89.6	65%	0.651	51%	0.512	S	S	*	.	S	Bend	trans	-136	118.2	176.6	-51.3	-179.6	0	0	0	108.5	I475	I473-I475 PolarHBondContact O-N 3.47Å; I473-I475 VanDerWaalsContact O-N 3.16Å
474	P	44.1	Very low	58.8	Low	93 Å²	93	88.9 Å²	88.9	60%	0.604	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-60	122.4	172.4	22.6	-28.9	0	0	0	108.6	P476	P474-P476 WeakPolarHBondContact O-CD 3.39Å; P474-P476 VanDerWaalsContact O-N 3.16Å
475	I	46.5	Very low	61.1	Low	85 Å²	85	85.8 Å²	85.8	44%	0.436	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-57	122.9	167.7	-65.8	164.5	0	0	0	105.9	L466 A468 I473 K477	L466-I475 VanDerWaalsContact O-CD1 3.24Å; L466-I475 WeakPolarHBondContact O-CD1 3.36Å; A468-I475 HydrophobicContact CB-CD1 3.86Å; A468-I475 HydrophobicContact CB-CG1 3.88Å; I473-I475 PolarHBondContact O-N 3.47Å; I473-I475 VanDerWaalsContact O-N 3.16Å; I475-K477 PolarHBondContact O-N 2.86Å
476	P	51.6	Low	63.8	Low	80 Å²	80	83.8 Å²	83.8	52%	0.519	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-53.9	118.4	176.1	-23.4	32	0	0	0	108.3	P474 I478	P474-P476 WeakPolarHBondContact O-CD 3.39Å; P474-P476 VanDerWaalsContact O-N 3.16Å; P476-I478 VanDerWaalsContact C-N 3.3Å; P476-I478 PolarHBondContact O-N 3.49Å
477	K	58.7	Low	66.3	Low	153 Å²	153	83.2 Å²	83.2	67%	0.665	45%	0.452	S	S	*	.			trans	-65	90	-176.8	-163.6	-179.9	-175.7	176.8	0	108.4	V462 I475 S479	V462-K477 HydrophobicContact CG1-CB 4.46Å; V462-K477 HydrophobicContact CG1-CD 4.3Å; V462-K477 HydrophobicContact CG1-CG 3.37Å; I475-K477 PolarHBondContact O-N 2.86Å; K477-S479 PolarHBondContact O-N 3.12Å
478	I	69.4	Low	69.2	Low	41 Å²	41	75.1 Å²	75.1	21%	0.21	42%	0.421	C	S	.	.			trans	-64.7	102	174.6	-66	-178.9	0	0	0	107.5	W454 V462 P476 R509	W454-I478 HydrophobicContact CH2-CG2 4.31Å; W454-I478 HydrophobicContact CZ2-CG2 3.58Å; V462-I478 HydrophobicContact CG2-CB 4.43Å; P476-I478 VanDerWaalsContact C-N 3.3Å; P476-I478 PolarHBondContact O-N 3.49Å; I478-R509 HydrophobicContact CD1-CB 4.37Å
479	S	78.6	Confident	71.7	Confident	35 Å²	35	73.1 Å²	73.1	25%	0.245	40%	0.404	C	S	.	.			trans	-95.3	-178.3	-178.2	64.3	0	0	0	0	111.8	W454 K477 Q512	W454-S479 PolarHBondContact NE1-O 3.21Å; K477-S479 PolarHBondContact O-N 3.12Å; S479-Q512 PolarHBondContact OG-NE2 3.19Å; S479-Q512 PolarHBondContact OG-OE1 2.95Å
480	V	86.5	Confident	74.2	Confident	81 Å²	81	65.9 Å²	65.9	49%	0.491	36%	0.36	S	S	.	.			trans	-63.6	140.4	164.6	-178.9	0	0	0	0	107.8	A458	A458-V480 HydrophobicContact CB-CG2 4.2Å
481	P	90.8	Very high	76.8	Confident	16 Å²	16	59.6 Å²	59.6	10%	0.104	33%	0.327	C	S	.	.			trans	-67.9	142.1	179.4	28.3	-33.4	0	0	0	110.2	P445 W454 E489	P445-P481 HydrophobicContact CB-CB 4.38Å; P445-P481 HydrophobicContact CB-CG 4Å; W454-P481 HydrophobicContact CB-CG 4.4Å; W454-P481 VanDerWaalsContact CD1-CD 3.44Å; W454-P481 HydrophobicContact CG-CB 4.24Å; W454-P481 HydrophobicContact CG-CG 4.21Å; P481-E489 VanDerWaalsContact CA-OE1 3.29Å; P481-E489 WeakPolarHBondContact CA-OE1 3.46Å; P481-E489 VanDerWaalsContact CB-CD 3.49Å; P481-E489 HydrophobicContact CB-CG 3.86Å
482	S	91	Very high	79.4	Confident	35 Å²	35	53.4 Å²	53.4	25%	0.245	29%	0.294	C	S	.	.			trans	-144.8	135.8	-175.2	-176.7	0	0	0	0	110.5	E484	S482-E484 VanDerWaalsContact C-N 3.29Å; S482-E484 PolarHBondContact OG-N 2.82Å
483	Y	94.4	Very high	81.5	Confident	22 Å²	22	48.1 Å²	48.1	9%	0.086	26%	0.257	C	S	.	.	S	Bend	trans	-93.5	14.2	173.9	49.1	-101.6	0	0	0	112.3	T302 M303 V328 F330 D331 N443	T302-Y483 HydrophobicContact CG2-CD1 3.51Å; T302-Y483 HydrophobicContact CG2-CE1 3.33Å; M303-Y483 HydrophobicContact CE-CD2 4.44Å; M303-Y483 HydrophobicContact CE-CE2 4.39Å; V328-Y483 HydrophobicContact CB-CE2 4.25Å; V328-Y483 HydrophobicContact CG2-CE2 3.97Å; F330-Y483 WeakPolarHBondContact CA-O 3.47Å; F330-Y483 HydrophobicContact CD2-CD2 4.01Å; F330-Y483 HydrophobicContact CD2-CG 4.16Å; F330-Y483 HydrophobicContact CE2-CG 4.5Å; D331-Y483 WeakPolarHBondContact CB-O 3.43Å; D331-Y483 VanDerWaalsContact CG-O 3.31Å; D331-Y483 PolarHBondContact N-O 2.81Å; N443-Y483 WeakPolarHBondContact O-CB 3.24Å
484	E	93.5	Very high	83.7	Confident	77 Å²	77	44.2 Å²	44.2	36%	0.36	24%	0.239	S	C	.	.	S	Bend	trans	-126.3	-5.7	-177.5	-52.3	-167.9	-115.7	0	0	113.5	V328 K329 D331 S482 K547	V328-E484 WeakPolarHBondContact CA-OE2 3.09Å; V328-E484 WeakPolarHBondContact CB-OE2 3.43Å; K329-E484 PolarHBondContact N-OE2 2.84Å; K329-E484 WeakPolarHBondContact O-CA 3.34Å; K329-E484 WeakPolarHBondContact O-CB 3.5Å; K329-E484 WeakPolarHBondContact O-CG 3.35Å; D331-E484 VanDerWaalsContact OD2-C 3.28Å; D331-E484 WeakPolarHBondContact OD2-CA 3.45Å; S482-E484 VanDerWaalsContact C-N 3.29Å; S482-E484 PolarHBondContact OG-N 2.82Å; E484-K547 PolarHBondContact O-NZ 2.81Å
485	D	92.5	Very high	85.8	Confident	57 Å²	57	40.8 Å²	40.8	31%	0.305	22%	0.218	S	C	.	.	S	Bend	trans	-93.9	-2.7	-170.4	71.7	-6.5	0	0	0	114.3	D331 R487	D331-D485 PolarHBondContact OD2-N 3.17Å; D485-R487 WeakPolarHBondContact OD1-CB 3.25Å; D485-R487 PolarHBondContact OD1-N 2.81Å
486	G	94.6	Very high	87.7	Confident	10 Å²	10	40.2 Å²	40.2	10%	0.103	23%	0.226	C	C	.	.	S	Bend	trans	73.8	26.2	-177.6	0	0	0	0	0	113	D331 W333 C514	D331-G486 VanDerWaalsContact OD2-CA 3.24Å; D331-G486 WeakPolarHBondContact OD2-CA 3.25Å; D331-G486 PolarHBondContact OD2-N 2.86Å; W333-G486 VanDerWaalsContact CH2-O 3.28Å; W333-G486 WeakPolarHBondContact CH2-O 3.46Å; G486-C514 PolarHBondContact O-SG 3.03Å
487	R	95.7	Very high	89.6	Confident	99 Å²	99	37.6 Å²	37.6	37%	0.374	21%	0.21	S	C	.	.			trans	-127.1	153.6	177.6	-60	177.5	178.2	-163.8	-4.3	111.4	W333 D485 C513	W333-R487 WeakPolarHBondContact CZ2-O 3.36Å; D485-R487 WeakPolarHBondContact OD1-CB 3.25Å; D485-R487 PolarHBondContact OD1-N 2.81Å; R487-C513 CarbonylContact C-O 3.54Å; R487-C513 VanDerWaalsContact CA-O 3.26Å; R487-C513 WeakPolarHBondContact CA-O 3.2Å
488	I	97.3	Very high	91.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.4	169.6	45.1	169.8	0	0	0	110.5	W333 M361 I441 L442 Q512 C513 L516 I542	W333-I488 HydrophobicContact CD2-CG2 3.54Å; W333-I488 HydrophobicContact CE3-CG2 3.9Å; W333-I488 HydrophobicContact CG-CG2 4.07Å; W333-I488 HydrophobicContact CH2-CG1 4.38Å; W333-I488 HydrophobicContact CH2-CG2 3.92Å; W333-I488 HydrophobicContact CZ2-CB 4.47Å; W333-I488 HydrophobicContact CZ2-CG2 3.59Å; W333-I488 HydrophobicContact CZ3-CG1 4.36Å; W333-I488 HydrophobicContact CZ3-CG2 4.06Å; M361-I488 HydrophobicContact CE-CG2 3.85Å; I441-I488 HydrophobicContact CG2-CB 3.91Å; I441-I488 HydrophobicContact CG2-CD1 3.57Å; I441-I488 HydrophobicContact CG2-CG1 4.27Å; I441-I488 HydrophobicContact CG2-CG2 4.11Å; L442-I488 WeakPolarHBondContact O-CA 3.43Å; I488-Q512 VanDerWaalsContact O-CA 3.28Å; I488-Q512 WeakPolarHBondContact O-CA 3.42Å; I488-C513 VanDerWaalsContact CG1-O 3.29Å; I488-C513 WeakPolarHBondContact CG1-O 3.42Å; I488-C513 PolarHBondContact N-O 2.86Å; I488-C513 PolarHBondContact O-N 2.79Å; I488-C513 VanDerWaalsContact O-N 3.11Å; I488-L516 HydrophobicContact CD1-CB 3.78Å; I488-L516 HydrophobicContact CD1-CD1 3.95Å; I488-I542 HydrophobicContact CD1-CB 4.33Å; I488-I542 HydrophobicContact CD1-CG2 4.16Å
489	E	96.7	Very high	91.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.4	171.1	-74	76.8	-142.6	0	0	111.5	I441 L442 W454 P481 Q512	I441-E489 CarbonylContact C-O 3.59Å; I441-E489 WeakPolarHBondContact CA-O 3.49Å; L442-E489 HydrophobicContact CB-CB 4.13Å; L442-E489 PolarHBondContact N-O 3.15Å; L442-E489 PolarHBondContact O-N 2.81Å; W454-E489 HydrophobicContact CD2-CB 3.99Å; W454-E489 HydrophobicContact CD2-CG 3.55Å; W454-E489 HydrophobicContact CE3-CB 3.44Å; W454-E489 VanDerWaalsContact CE3-CB 3.44Å; W454-E489 HydrophobicContact CE3-CG 3.53Å; W454-E489 HydrophobicContact CG-CG 4.07Å; W454-E489 HydrophobicContact CH2-CB 4.45Å; W454-E489 HydrophobicContact CH2-CG 4.18Å; W454-E489 HydrophobicContact CZ2-CG 4.14Å; W454-E489 HydrophobicContact CZ3-CB 3.73Å; W454-E489 HydrophobicContact CZ3-CG 3.87Å; P481-E489 VanDerWaalsContact CA-OE1 3.29Å; P481-E489 WeakPolarHBondContact CA-OE1 3.46Å; P481-E489 VanDerWaalsContact CB-CD 3.49Å; P481-E489 HydrophobicContact CB-CG 3.86Å; E489-Q512 HydrophobicContact CG-CG 3.92Å; E489-Q512 PolarHBondContact OE1-NE2 2.98Å
490	V	97.4	Very high	92.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.5	176.6	-170.3	0	0	0	0	109.7	L420 L439 I510 A511 L516	L420-V490 HydrophobicContact CD2-CG1 3.93Å; L439-V490 HydrophobicContact CD1-CG1 3.77Å; L439-V490 HydrophobicContact CD2-CG1 4.42Å; L439-V490 HydrophobicContact CG-CG1 4.17Å; V490-I510 HydrophobicContact CB-CB 4.18Å; V490-I510 HydrophobicContact CG1-CB 3.98Å; V490-I510 HydrophobicContact CG1-CG1 4.47Å; V490-I510 HydrophobicContact CG1-CG2 4.32Å; V490-I510 WeakPolarHBondContact O-CB 3.37Å; V490-I510 PolarHBondContact O-N 2.92Å; V490-A511 HydrophobicContact CB-CB 4.4Å; V490-A511 HydrophobicContact CG2-CB 4.41Å; V490-A511 PolarHBondContact N-O 3.16Å; V490-A511 PolarHBondContact O-N 3.27Å; V490-L516 HydrophobicContact CG2-CD1 3.69Å
491	V	96.4	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.9	-175.5	-172.7	0	0	0	0	110.8	L440 L442 P453 W454 F493 G507 V508	L440-V491 HydrophobicContact CB-CB 4.42Å; L440-V491 PolarHBondContact N-O 3.23Å; L440-V491 PolarHBondContact O-N 3.22Å; L442-V491 HydrophobicContact CD1-CG2 3.9Å; P453-V491 HydrophobicContact CB-CG1 4.32Å; P453-V491 HydrophobicContact CB-CG2 4.42Å; W454-V491 HydrophobicContact CE3-CG2 3.58Å; W454-V491 HydrophobicContact CZ3-CG2 4.23Å; V491-F493 HydrophobicContact CB-CE2 4.11Å; V491-F493 HydrophobicContact CG1-CD2 3.99Å; V491-F493 HydrophobicContact CG1-CE2 3.38Å; V491-F493 HydrophobicContact CG1-CZ 3.8Å; V491-G507 VanDerWaalsContact CG1-CA 3.5Å; V491-V508 CarbonylContact C-O 3.51Å; V491-V508 WeakPolarHBondContact CA-O 3.47Å
492	G	96.1	Very high	92.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.3	174.1	0	0	0	0	0	112.5	G507 V508	G492-G507 WeakPolarHBondContact O-CA 3.42Å; G492-V508 PolarHBondContact N-O 3.43Å; G492-V508 PolarHBondContact O-N 3.38Å
493	F	94.4	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.4	174.1	-72.3	-86	0	0	0	112.4	H437 C438 L440 P453 V491 S497 L498 L501	H437-F493 PolarHBondContact N-O 2.89Å; C438-F493 HydrophobicContact CB-CB 4.03Å; C438-F493 PolarHBondContact N-O 3.28Å; C438-F493 PolarHBondContact O-N 2.85Å; L440-F493 HydrophobicContact CB-CD2 4.36Å; L440-F493 HydrophobicContact CB-CE2 4.21Å; L440-F493 HydrophobicContact CD2-CE2 3.84Å; P453-F493 HydrophobicContact CB-CE2 4.06Å; P453-F493 HydrophobicContact CB-CZ 3.74Å; P453-F493 HydrophobicContact CG-CZ 4.49Å; V491-F493 HydrophobicContact CB-CE2 4.11Å; V491-F493 HydrophobicContact CG1-CD2 3.99Å; V491-F493 HydrophobicContact CG1-CE2 3.38Å; V491-F493 HydrophobicContact CG1-CZ 3.8Å; F493-S497 WeakPolarHBondContact CA-OG 3.39Å; F493-S497 WeakPolarHBondContact CD1-OG 3.37Å; F493-L498 HydrophobicContact CB-CB 4.12Å; F493-L498 HydrophobicContact CD1-CB 4.19Å; F493-L498 HydrophobicContact CD1-CD1 4.36Å; F493-L498 HydrophobicContact CG-CB 4.37Å; F493-L498 HydrophobicContact CG-CD1 4.31Å; F493-L501 HydrophobicContact CE1-CB 4.4Å; F493-L501 HydrophobicContact CE1-CD2 4.31Å; F493-L501 HydrophobicContact CZ-CD1 4.43Å; F493-L501 HydrophobicContact CZ-CD2 4.06Å
494	T	92.3	Very high	91.7	Very high	45 Å²	45	39 Å²	39	28%	0.276	25%	0.248	S	C	.	.			trans	-78.8	162.4	153.2	68.2	0	0	0	0	109.7	A496 S497 L498	T494-A496 PolarHBondContact O-N 3.43Å; T494-S497 PolarHBondContact N-OG 3.13Å; T494-S497 PolarHBondContact O-N 3.35Å; T494-S497 VanDerWaalsContact O-N 3.14Å; T494-S497 PolarHBondContact O-OG 2.77Å; T494-S497 PolarHBondContact OG1-N 2.6Å; T494-S497 PolarHBondContact OG1-OG 2.89Å; T494-L498 PolarHBondContact O-N 3.41Å
495	A	86.6	Confident	91.5	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-52.7	-42	175.2	0	0	0	0	0	112.6	L406 H437 L498 A499	L406-A495 HydrophobicContact CD2-CB 3.66Å; L406-A495 WeakPolarHBondContact CD2-O 3.5Å; H437-A495 WeakPolarHBondContact ND1-CB 3.44Å; H437-A495 PolarHBondContact ND1-N 3.04Å; H437-A495 VanDerWaalsContact ND1-N 3.2Å; A495-L498 PolarHBondContact O-N 2.82Å; A495-A499 PolarHBondContact O-N 2.94Å
496	A	87.6	Confident	91.5	Very high	73 Å²	73	41.1 Å²	41.1	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-65.1	-45.4	178.5	0	0	0	0	0	112.2	T494 L498 A499 A500	T494-A496 PolarHBondContact O-N 3.43Å; A496-L498 VanDerWaalsContact C-N 3.34Å; A496-L498 PolarHBondContact O-N 3.39Å; A496-A499 PolarHBondContact O-N 2.97Å; A496-A500 WeakPolarHBondContact O-CB 3.35Å; A496-A500 PolarHBondContact O-N 3.13Å
497	S	91	Very high	91.3	Very high	25 Å²	25	41 Å²	41	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-33.7	178.2	63.3	0	0	0	0	112.9	F493 T494 A500 L501	F493-S497 WeakPolarHBondContact CA-OG 3.39Å; F493-S497 WeakPolarHBondContact CD1-OG 3.37Å; T494-S497 PolarHBondContact N-OG 3.13Å; T494-S497 PolarHBondContact O-N 3.35Å; T494-S497 VanDerWaalsContact O-N 3.14Å; T494-S497 PolarHBondContact O-OG 2.77Å; T494-S497 PolarHBondContact OG1-N 2.6Å; T494-S497 PolarHBondContact OG1-OG 2.89Å; S497-A500 PolarHBondContact O-N 3.23Å; S497-L501 PolarHBondContact O-N 2.81Å; S497-L501 VanDerWaalsContact O-N 3.11Å
498	L	90.2	Very high	91.2	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-40.6	175	-175.5	60.7	0	0	0	111.1	V369 D370 F493 T494 A495 A496 L501	V369-L498 HydrophobicContact CB-CD2 4.3Å; V369-L498 HydrophobicContact CG1-CD2 3.96Å; D370-L498 HydrophobicContact CB-CD2 4.15Å; F493-L498 HydrophobicContact CB-CB 4.12Å; F493-L498 HydrophobicContact CD1-CB 4.19Å; F493-L498 HydrophobicContact CD1-CD1 4.36Å; F493-L498 HydrophobicContact CG-CB 4.37Å; F493-L498 HydrophobicContact CG-CD1 4.31Å; T494-L498 PolarHBondContact O-N 3.41Å; A495-L498 PolarHBondContact O-N 2.82Å; A496-L498 VanDerWaalsContact C-N 3.34Å; A496-L498 PolarHBondContact O-N 3.39Å; L498-L501 HydrophobicContact CD1-CD2 4.42Å; L498-L501 VanDerWaalsContact O-CB 3.25Å; L498-L501 WeakPolarHBondContact O-CB 3.46Å; L498-L501 PolarHBondContact O-N 3.16Å
499	A	86.6	Confident	91	Very high	47 Å²	47	40.4 Å²	40.4	39%	0.388	26%	0.259	S	S	.	.	H	α-helix	trans	-63.7	-42.7	173.1	0	0	0	0	0	111.6	L406 A495 A496 L501 Q502	L406-A499 HydrophobicContact CD1-CB 3.85Å; A495-A499 PolarHBondContact O-N 2.94Å; A496-A499 PolarHBondContact O-N 2.97Å; A499-L501 PolarHBondContact O-N 3.37Å; A499-Q502 PolarHBondContact O-N 3.06Å
500	A	90.3	Very high	90.9	Very high	38 Å²	38	40.7 Å²	40.7	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-23.2	178.9	0	0	0	0	0	113.2	A496 S497 Q502 V503 G504 G505	A496-A500 WeakPolarHBondContact O-CB 3.35Å; A496-A500 PolarHBondContact O-N 3.13Å; S497-A500 PolarHBondContact O-N 3.23Å; A500-Q502 PolarHBondContact O-N 2.98Å; A500-V503 WeakPolarHBondContact O-CG2 3.34Å; A500-V503 PolarHBondContact O-N 3.49Å; A500-G504 PolarHBondContact O-N 3.36Å; A500-G505 WeakPolarHBondContact O-CA 3.46Å; A500-G505 PolarHBondContact O-N 3.13Å
501	L	90	Very high	90.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.7	-36.1	177.9	-176.3	61	0	0	0	112.6	Y447 T451 P453 F493 S497 L498 A499 V503 G504 G505	Y447-L501 HydrophobicContact CD1-CD2 4.07Å; T451-L501 HydrophobicContact CG2-CG 4.2Å; T451-L501 WeakPolarHBondContact OG1-CG 3.36Å; P453-L501 HydrophobicContact CG-CD1 4.31Å; P453-L501 HydrophobicContact CG-CD2 4.2Å; F493-L501 HydrophobicContact CE1-CB 4.4Å; F493-L501 HydrophobicContact CE1-CD2 4.31Å; F493-L501 HydrophobicContact CZ-CD1 4.43Å; F493-L501 HydrophobicContact CZ-CD2 4.06Å; S497-L501 PolarHBondContact O-N 2.81Å; S497-L501 VanDerWaalsContact O-N 3.11Å; L498-L501 HydrophobicContact CD1-CD2 4.42Å; L498-L501 VanDerWaalsContact O-CB 3.25Å; L498-L501 WeakPolarHBondContact O-CB 3.46Å; L498-L501 PolarHBondContact O-N 3.16Å; A499-L501 PolarHBondContact O-N 3.37Å; L501-V503 PolarHBondContact O-N 2.97Å; L501-G504 PolarHBondContact O-N 3.32Å; L501-G505 VanDerWaalsContact CD1-O 3.32Å; L501-G505 WeakPolarHBondContact CD1-O 3.42Å
502	Q	84.9	Confident	90.6	Very high	104 Å²	104	42.1 Å²	42.1	49%	0.486	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-69.2	-18.6	179.9	-65.3	-61.6	-43.8	0	0	113.6	A499 A500	A499-Q502 PolarHBondContact O-N 3.06Å; A500-Q502 PolarHBondContact O-N 2.98Å
503	V	86	Confident	90.6	Very high	131 Å²	131	42.1 Å²	42.1	79%	0.794	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-108.1	22	176.8	-62.4	0	0	0	0	112.4	A500 L501	A500-V503 WeakPolarHBondContact O-CG2 3.34Å; A500-V503 PolarHBondContact O-N 3.49Å; L501-V503 PolarHBondContact O-N 2.97Å
504	G	86.1	Confident	90.6	Very high	73 Å²	73	45 Å²	45	75%	0.753	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	10.4	177.1	0	0	0	0	0	114.7	A500 L501	A500-G504 PolarHBondContact O-N 3.36Å; L501-G504 PolarHBondContact O-N 3.32Å
505	G	89.2	Confident	90.9	Very high	26 Å²	26	47.1 Å²	47.1	27%	0.268	29%	0.292	S	S	.	.			trans	-64.3	173.2	168.5	0	0	0	0	0	112.6	A500 L501	A500-G505 WeakPolarHBondContact O-CA 3.46Å; A500-G505 PolarHBondContact O-N 3.13Å; L501-G505 VanDerWaalsContact CD1-O 3.32Å; L501-G505 WeakPolarHBondContact CD1-O 3.42Å
506	R	91.4	Very high	91.5	Very high	151 Å²	151	46.1 Å²	46.1	57%	0.57	28%	0.284	S	S	*	.			trans	-137.2	160	178.1	64.2	-179.2	179.8	-173.7	-1.8	110.2	P453	P453-R506 WeakPolarHBondContact O-CB 3.37Å
507	G	92.1	Very high	92	Very high	8 Å²	8	46.8 Å²	46.8	8%	0.082	27%	0.271	C	S	.	.			trans	-86.2	179	172.5	0	0	0	0	0	112.5	P453 V491 G492	P453-G507 PolarHBondContact O-N 3.25Å; V491-G507 VanDerWaalsContact CG1-CA 3.5Å; G492-G507 WeakPolarHBondContact O-CA 3.42Å
508	V	93	Very high	92.3	Very high	55 Å²	55	45.6 Å²	45.6	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.7	174	-175.1	0	0	0	0	109.1	L434 V491 G492 I510	L434-V508 HydrophobicContact CD1-CB 4.38Å; L434-V508 HydrophobicContact CD1-CG1 3.78Å; V491-V508 CarbonylContact C-O 3.51Å; V491-V508 WeakPolarHBondContact CA-O 3.47Å; G492-V508 PolarHBondContact N-O 3.43Å; G492-V508 PolarHBondContact O-N 3.38Å; V508-I510 HydrophobicContact CB-CD1 4.35Å; V508-I510 HydrophobicContact CG1-CD1 4.02Å; V508-I510 PolarHBondContact O-N 2.74Å
509	R	93.1	Very high	92.7	Very high	31 Å²	31	45 Å²	45	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	107.2	176.3	-59.6	175.3	-173.4	175.2	-6	109.2	K430 W454 Q457 I478	K430-R509 PolarHBondContact NZ-O 3.36Å; W454-R509 HydrophobicContact CD2-CG 3.99Å; W454-R509 HydrophobicContact CE3-CB 4.29Å; W454-R509 HydrophobicContact CE3-CG 3.9Å; W454-R509 HydrophobicContact CH2-CB 3.85Å; W454-R509 HydrophobicContact CH2-CG 4.11Å; W454-R509 HydrophobicContact CZ2-CB 4.37Å; W454-R509 HydrophobicContact CZ2-CG 4.25Å; W454-R509 HydrophobicContact CZ3-CB 3.83Å; W454-R509 HydrophobicContact CZ3-CG 3.95Å; W454-R509 VanDerWaalsContact O-CZ 3.29Å; W454-R509 PolarHBondContact O-NE 3.2Å; W454-R509 PolarHBondContact O-NH2 2.98Å; Q457-R509 VanDerWaalsContact O-CZ 3.3Å; Q457-R509 PolarHBondContact O-NH1 2.67Å; Q457-R509 PolarHBondContact O-NH2 2.84Å; I478-R509 HydrophobicContact CD1-CB 4.37Å
510	I	94.1	Very high	93.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-56.6	-178.4	-56.2	-58	0	0	0	109.9	L420 H427 K430 L434 L436 L439 V490 V508	L420-I510 HydrophobicContact CD2-CG2 3.96Å; H427-I510 HydrophobicContact CB-CG2 4.11Å; K430-I510 HydrophobicContact CD-CD1 4.48Å; K430-I510 PolarHBondContact NZ-O 2.97Å; L434-I510 HydrophobicContact CD1-CD1 3.89Å; L436-I510 HydrophobicContact CD1-CD1 4.07Å; L439-I510 HydrophobicContact CD1-CG1 4.43Å; V490-I510 HydrophobicContact CB-CB 4.18Å; V490-I510 HydrophobicContact CG1-CB 3.98Å; V490-I510 HydrophobicContact CG1-CG1 4.47Å; V490-I510 HydrophobicContact CG1-CG2 4.32Å; V490-I510 WeakPolarHBondContact O-CB 3.37Å; V490-I510 PolarHBondContact O-N 2.92Å; V508-I510 HydrophobicContact CB-CD1 4.35Å; V508-I510 HydrophobicContact CG1-CD1 4.02Å; V508-I510 PolarHBondContact O-N 2.74Å
511	A	94.1	Very high	93.3	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.8	-177.6	0	0	0	0	0	111.7	C422 W454 V490	C422-A511 HydrophobicContact CB-CB 4.03Å; W454-A511 WeakPolarHBondContact CH2-O 3.49Å; W454-A511 WeakPolarHBondContact CZ3-O 3.48Å; V490-A511 HydrophobicContact CB-CB 4.4Å; V490-A511 HydrophobicContact CG2-CB 4.41Å; V490-A511 PolarHBondContact N-O 3.16Å; V490-A511 PolarHBondContact O-N 3.27Å
512	Q	93.6	Very high	93.3	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.093	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.9	153.8	-81.7	174.1	-58.8	0	0	106.8	W454 S479 I488 E489	W454-Q512 HydrophobicContact CH2-CG 3.55Å; W454-Q512 HydrophobicContact CZ2-CG 3.59Å; W454-Q512 HydrophobicContact CZ3-CG 4.39Å; S479-Q512 PolarHBondContact OG-NE2 3.19Å; S479-Q512 PolarHBondContact OG-OE1 2.95Å; I488-Q512 VanDerWaalsContact O-CA 3.28Å; I488-Q512 WeakPolarHBondContact O-CA 3.42Å; E489-Q512 HydrophobicContact CG-CG 3.92Å; E489-Q512 PolarHBondContact OE1-NE2 2.98Å
513	C	95.3	Very high	93.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.1	-172.2	57.4	0	0	0	0	113.1	C422 D423 R487 I488	C422-C513 HydrophobicContact CB-CB 3.79Å; D423-C513 HydrophobicContact CB-CB 4.45Å; D423-C513 WeakPolarHBondContact OD2-CA 3.12Å; D423-C513 WeakPolarHBondContact OD2-CB 3.32Å; R487-C513 CarbonylContact C-O 3.54Å; R487-C513 VanDerWaalsContact CA-O 3.26Å; R487-C513 WeakPolarHBondContact CA-O 3.2Å; I488-C513 VanDerWaalsContact CG1-O 3.29Å; I488-C513 WeakPolarHBondContact CG1-O 3.42Å; I488-C513 PolarHBondContact N-O 2.86Å; I488-C513 PolarHBondContact O-N 2.79Å; I488-C513 VanDerWaalsContact O-N 3.11Å
514	C	96	Very high	94	Very high	61 Å²	61	40 Å²	40	41%	0.412	21%	0.211	S	C	.	.	S	Bend	trans	-94.1	-20.8	176.5	-60.7	0	0	0	0	112.3	W333 D423 G486	W333-C514 WeakPolarHBondContact CZ3-O 3.46Å; D423-C514 PolarHBondContact OD1-N 2.9Å; D423-C514 PolarHBondContact OD2-N 3.28Å; D423-C514 VanDerWaalsContact OD2-N 3.14Å; G486-C514 PolarHBondContact O-SG 3.03Å
515	Y	97.9	Very high	94.4	Very high	88 Å²	88	36.6 Å²	36.6	35%	0.345	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.2	177.8	179.5	-97.1	0	0	0	110.2	D423 R517 T541 I542	D423-Y515 PolarHBondContact N-O 2.89Å; D423-Y515 PolarHBondContact OD1-N 2.87Å; Y515-R517 HydrophobicContact CE1-CB 3.98Å; Y515-T541 VanDerWaalsContact OH-CG2 3.26Å; Y515-T541 WeakPolarHBondContact OH-CG2 3.46Å; Y515-I542 WeakPolarHBondContact CA-O 3.18Å
516	L	98.5	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.1	177.5	178	153.1	0	0	0	110.1	L420 E421 I441 I488 V490 L518 T541 I542	L420-L516 HydrophobicContact CD1-CD1 3.74Å; L420-L516 HydrophobicContact CD1-CD2 4.05Å; L420-L516 HydrophobicContact CD1-CG 3.67Å; E421-L516 WeakPolarHBondContact O-CA 3.41Å; I441-L516 HydrophobicContact CD1-CD1 4.39Å; I441-L516 HydrophobicContact CG1-CD1 3.67Å; I488-L516 HydrophobicContact CD1-CB 3.78Å; I488-L516 HydrophobicContact CD1-CD1 3.95Å; V490-L516 HydrophobicContact CG2-CD1 3.69Å; L516-L518 HydrophobicContact CD2-CB 3.83Å; L516-T541 CarbonylContact O-C 3.55Å; L516-T541 WeakPolarHBondContact O-CA 3.28Å; L516-I542 HydrophobicContact CB-CB 4.28Å; L516-I542 HydrophobicContact CD2-CD1 4.09Å; L516-I542 HydrophobicContact CD2-CG1 4.1Å; L516-I542 PolarHBondContact N-O 3.31Å; L516-I542 PolarHBondContact O-N 3Å
517	R	98.5	Very high	94.9	Very high	86 Å²	86	28.3 Å²	28.3	33%	0.325	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.9	171.1	178.9	175	-179.6	-83.5	-5.2	109.5	E421 Y515 V539 I540 T541	E421-R517 HydrophobicContact CB-CB 4.32Å; E421-R517 PolarHBondContact N-O 3.37Å; E421-R517 PolarHBondContact O-N 2.95Å; E421-R517 IonicContact OE2-NH1 2.73Å; Y515-R517 HydrophobicContact CE1-CB 3.98Å; R517-V539 HydrophobicContact CG-CG1 4.16Å; R517-I540 WeakPolarHBondContact CA-O 3.28Å; R517-T541 HydrophobicContact CB-CG2 4.39Å; R517-T541 HydrophobicContact CG-CG2 4.21Å
518	L	98.3	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.3	-179.7	173.5	68.8	0	0	0	108.8	F365 I367 I418 S419 L439 L516 I540	F365-L518 HydrophobicContact CE1-CD2 4.05Å; F365-L518 HydrophobicContact CZ-CD2 4.48Å; I367-L518 HydrophobicContact CD1-CD2 4.09Å; I367-L518 HydrophobicContact CG2-CD2 4.1Å; I418-L518 HydrophobicContact CB-CD1 3.97Å; I418-L518 HydrophobicContact CD1-CD1 4.32Å; I418-L518 HydrophobicContact CG2-CD1 4.44Å; S419-L518 WeakPolarHBondContact O-CA 3.35Å; L439-L518 HydrophobicContact CD2-CD1 4.23Å; L516-L518 HydrophobicContact CD2-CB 3.83Å; L518-I540 HydrophobicContact CB-CB 4.38Å; L518-I540 HydrophobicContact CD2-CD1 4.26Å; L518-I540 PolarHBondContact N-O 2.98Å; L518-I540 PolarHBondContact O-N 3.11Å
519	A	97.6	Very high	95.3	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.7	173.5	0	0	0	0	0	110.6	I418 S419 S538 V539	I418-A519 CarbonylContact C-O 3.59Å; I418-A519 VanDerWaalsContact CA-O 3.29Å; I418-A519 WeakPolarHBondContact CA-O 3.47Å; S419-A519 PolarHBondContact N-O 2.92Å; S419-A519 PolarHBondContact O-N 3.04Å; S419-A519 WeakPolarHBondContact OG-CB 3.29Å; A519-S538 WeakPolarHBondContact CA-O 3.47Å; A519-V539 HydrophobicContact CB-CG2 4.17Å
520	T	95.8	Very high	95.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.1	177.5	68.9	0	0	0	0	110.7	N340 I367 Y417 I418 I524 P537 S538 I540	N340-T520 PolarHBondContact ND2-O 2.93Å; I367-T520 HydrophobicContact CD1-CG2 3.64Å; Y417-T520 CarbonylContact O-C 3.6Å; Y417-T520 WeakPolarHBondContact O-CA 3.12Å; I418-T520 HydrophobicContact CG2-CG2 4.24Å; T520-I524 HydrophobicContact CG2-CD1 4.13Å; T520-P537 WeakPolarHBondContact OG1-CA 3.25Å; T520-S538 PolarHBondContact N-O 3.46Å; T520-S538 PolarHBondContact OG1-N 2.76Å; T520-S538 PolarHBondContact OG1-O 3.35Å; T520-I540 HydrophobicContact CG2-CD1 4.41Å
521	R	93.5	Very high	95.1	Very high	80 Å²	80	30.3 Å²	30.3	30%	0.302	15%	0.152	S	C	.	.	S	Bend	trans	-109.8	3.6	-178.6	-64.1	-173	-75	-77.6	0.4	114.1	I343 E416 Y417 I418	I343-R521 HydrophobicContact CD1-CB 3.8Å; I343-R521 HydrophobicContact CD1-CG 3.84Å; I343-R521 HydrophobicContact CG1-CB 4.29Å; I343-R521 HydrophobicContact CG1-CG 4.29Å; E416-R521 PolarHBondContact O-NE 3.37Å; E416-R521 PolarHBondContact O-NH2 2.92Å; Y417-R521 PolarHBondContact O-N 3.04Å; I418-R521 PolarHBondContact O-NH2 3.05Å
522	K	91.3	Very high	95.1	Very high	96 Å²	96	30.5 Å²	30.5	42%	0.417	15%	0.153	S	C	.	.	S	Bend	trans	-149	161.6	-177.3	-176.7	176.1	175.3	176.5	0	109	Y417 I524	Y417-K522 HydrophobicContact CD1-CB 4.19Å; Y417-K522 HydrophobicContact CG-CB 4.3Å; K522-I524 HydrophobicContact CB-CG1 4.31Å; K522-I524 WeakPolarHBondContact O-CG1 3.36Å; K522-I524 PolarHBondContact O-N 2.82Å
523	V	91.5	Very high	95.1	Very high	37 Å²	37	30.4 Å²	30.4	22%	0.224	15%	0.154	C	C	.	.			trans	-59.8	113.9	163	-176.3	0	0	0	0	110	E349 A352 W411 K534 L535	E349-V523 HydrophobicContact CG-CG2 4.3Å; E349-V523 WeakPolarHBondContact OE1-CG2 3.13Å; A352-V523 HydrophobicContact CB-CG1 3.93Å; A352-V523 HydrophobicContact CB-CG2 3.93Å; W411-V523 WeakPolarHBondContact CH2-O 3.43Å; V523-K534 HydrophobicContact CG1-CB 4.03Å; V523-L535 VanDerWaalsContact CA-O 3.23Å; V523-L535 WeakPolarHBondContact CA-O 3.33Å
524	I	93.2	Very high	95	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.6	-176.8	-59.4	168.6	0	0	0	109.4	I367 W411 L414 I418 T520 K522 V526 L535	I367-I524 HydrophobicContact CD1-CB 4.22Å; I367-I524 HydrophobicContact CD1-CD1 4.25Å; I367-I524 HydrophobicContact CD1-CG2 3.76Å; I367-I524 HydrophobicContact CG1-CB 4.33Å; I367-I524 HydrophobicContact CG1-CG2 3.39Å; W411-I524 HydrophobicContact CE3-CG2 4.3Å; W411-I524 HydrophobicContact CZ3-CB 4.24Å; W411-I524 HydrophobicContact CZ3-CG1 3.96Å; W411-I524 HydrophobicContact CZ3-CG2 4.02Å; L414-I524 HydrophobicContact CD1-CD1 3.98Å; L414-I524 HydrophobicContact CD1-CG2 3.91Å; I418-I524 HydrophobicContact CG2-CD1 3.85Å; T520-I524 HydrophobicContact CG2-CD1 4.13Å; K522-I524 HydrophobicContact CB-CG1 4.31Å; K522-I524 WeakPolarHBondContact O-CG1 3.36Å; K522-I524 PolarHBondContact O-N 2.82Å; I524-V526 PolarHBondContact O-N 3.06Å; I524-L535 PolarHBondContact N-O 2.95Å; I524-L535 VanDerWaalsContact N-O 3.09Å; I524-L535 PolarHBondContact O-N 2.78Å
525	P	94.2	Very high	94.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133	171.9	27.5	-33.8	0	0	0	110.2	G368 A371 H372 W411 C533	G368-P525 PolarHBondContact N-O 2.88Å; G368-P525 VanDerWaalsContact N-O 3.12Å; A371-P525 HydrophobicContact CB-CB 4.24Å; A371-P525 VanDerWaalsContact CB-O 3.25Å; A371-P525 WeakPolarHBondContact CB-O 3.33Å; H372-P525 HydrophobicContact CB-CB 4.26Å; H372-P525 HydrophobicContact CB-CG 3.79Å; W411-P525 HydrophobicContact CD2-CG 4.3Å; W411-P525 HydrophobicContact CH2-CG 4.12Å; W411-P525 HydrophobicContact CZ2-CG 3.5Å; P525-C533 WeakPolarHBondContact CA-O 3.46Å
526	V	96.7	Very high	94.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.1	175.3	-61.1	0	0	0	0	109.1	L356 F365 S366 I367 A371 I524 P532 C533 L535	L356-V526 HydrophobicContact CD2-CG2 3.53Å; F365-V526 HydrophobicContact CE2-CB 4.13Å; F365-V526 HydrophobicContact CE2-CG1 4.43Å; F365-V526 HydrophobicContact CZ-CB 4.04Å; F365-V526 HydrophobicContact CZ-CG1 3.89Å; S366-V526 CarbonylContact O-C 3.58Å; S366-V526 VanDerWaalsContact O-CA 3.25Å; S366-V526 WeakPolarHBondContact O-CA 3.45Å; I367-V526 HydrophobicContact CB-CG1 4.05Å; I367-V526 HydrophobicContact CD1-CG1 3.96Å; I367-V526 HydrophobicContact CG1-CG1 3.83Å; A371-V526 VanDerWaalsContact CB-C 3.46Å; A371-V526 VanDerWaalsContact CB-CA 3.46Å; I524-V526 PolarHBondContact O-N 3.06Å; V526-P532 CarbonylContact O-C 3.59Å; V526-P532 VanDerWaalsContact O-CA 3.29Å; V526-P532 WeakPolarHBondContact O-CA 3.41Å; V526-C533 VanDerWaalsContact CG2-SG 3.52Å; V526-C533 PolarHBondContact N-O 2.87Å; V526-C533 PolarHBondContact O-N 2.88Å; V526-L535 HydrophobicContact CG1-CB 4.4Å; V526-L535 HydrophobicContact CG2-CB 3.86Å; V526-L535 HydrophobicContact CG2-CD2 4.42Å
527	Q	95.5	Very high	94.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.4	169.5	67.4	82.3	24.4	0	0	110.9	F365 S366 A371 A374 E531 P532	F365-Q527 WeakPolarHBondContact CA-O 3.38Å; S366-Q527 PolarHBondContact N-O 2.82Å; S366-Q527 PolarHBondContact O-N 3.28Å; S366-Q527 WeakPolarHBondContact OG-CG 3.46Å; S366-Q527 PolarHBondContact OG-NE2 2.83Å; A371-Q527 HydrophobicContact CB-CB 4.28Å; A371-Q527 HydrophobicContact CB-CG 4.06Å; A374-Q527 HydrophobicContact CB-CB 4.29Å; A374-Q527 HydrophobicContact CB-CG 4.28Å; Q527-E531 WeakPolarHBondContact CA-O 3.36Å; Q527-P532 HydrophobicContact CB-CB 4.07Å
528	V	96.8	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.5	174.5	-169.2	0	0	0	0	108.4	I335 L356 V358 M361 F365 G530 E531	I335-V528 HydrophobicContact CD1-CG1 3.73Å; I335-V528 HydrophobicContact CD1-CG2 3.94Å; L356-V528 HydrophobicContact CD1-CG2 4.07Å; L356-V528 HydrophobicContact CD2-CG2 4.32Å; V358-V528 HydrophobicContact CG2-CB 3.64Å; V358-V528 HydrophobicContact CG2-CG1 3.79Å; V358-V528 HydrophobicContact CG2-CG2 4.4Å; M361-V528 HydrophobicContact CB-CG1 3.92Å; M361-V528 HydrophobicContact CG-CG1 4.33Å; F365-V528 HydrophobicContact CD2-CG2 3.81Å; F365-V528 HydrophobicContact CE2-CG2 4.35Å; V528-G530 PolarHBondContact O-N 3.08Å; V528-E531 PolarHBondContact N-O 3.48Å; V528-E531 VanDerWaalsContact N-O 3.1Å; V528-E531 WeakPolarHBondContact O-CB 3.35Å; V528-E531 PolarHBondContact O-N 3.46Å
529	D	95	Very high	94.4	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.102	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	29.9	179.4	-67.2	-8.3	0	0	0	114.3	N362 N363 Y364	N362-D529 WeakPolarHBondContact CB-OD2 3.41Å; N362-D529 PolarHBondContact N-OD1 3.47Å; N362-D529 PolarHBondContact N-OD2 3.24Å; N362-D529 PolarHBondContact ND2-OD2 3.13Å; N363-D529 WeakPolarHBondContact CA-OD1 3.32Å; N363-D529 WeakPolarHBondContact CB-OD1 3.42Å; N363-D529 PolarHBondContact N-OD1 3.43Å; Y364-D529 PolarHBondContact N-OD1 2.92Å; Y364-D529 PolarHBondContact O-N 2.92Å
530	G	90.7	Very high	94.5	Very high	37 Å²	37	25 Å²	25	38%	0.381	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	2.5	-178.4	0	0	0	0	0	116	V528 P532	V528-G530 PolarHBondContact O-N 3.08Å; G530-P532 VanDerWaalsContact O-CD 3.32Å; G530-P532 WeakPolarHBondContact O-CD 3.29Å
531	E	92.5	Very high	94.6	Very high	87 Å²	87	25.9 Å²	25.9	41%	0.407	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	104.7	174.4	-63.3	-58.2	145.9	0	0	110.5	P357 Q527 V528	P357-E531 HydrophobicContact CG-CB 4.14Å; Q527-E531 WeakPolarHBondContact CA-O 3.36Å; V528-E531 PolarHBondContact N-O 3.48Å; V528-E531 VanDerWaalsContact N-O 3.1Å; V528-E531 WeakPolarHBondContact O-CB 3.35Å; V528-E531 PolarHBondContact O-N 3.46Å
532	P	94.5	Very high	94.8	Very high	15 Å²	15	22.1 Å²	22.1	10%	0.097	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	150.8	-173.5	36.6	-35.5	0	0	0	113.4	A374 L375 H378 V526 Q527 G530	A374-P532 HydrophobicContact CB-CB 4.09Å; A374-P532 HydrophobicContact CB-CG 4.49Å; L375-P532 HydrophobicContact CB-CB 3.94Å; L375-P532 HydrophobicContact CB-CG 4.31Å; L375-P532 HydrophobicContact CD1-CB 4.11Å; L375-P532 HydrophobicContact CD1-CG 4.09Å; H378-P532 HydrophobicContact CB-CG 3.61Å; V526-P532 CarbonylContact O-C 3.59Å; V526-P532 VanDerWaalsContact O-CA 3.29Å; V526-P532 WeakPolarHBondContact O-CA 3.41Å; Q527-P532 HydrophobicContact CB-CB 4.07Å; G530-P532 VanDerWaalsContact O-CD 3.32Å; G530-P532 WeakPolarHBondContact O-CD 3.29Å
533	C	94	Very high	95.2	Very high	17 Å²	17	19.4 Å²	19.4	12%	0.115	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.9	168	67.6	0	0	0	0	111.8	P525 V526	P525-C533 WeakPolarHBondContact CA-O 3.46Å; V526-C533 VanDerWaalsContact CG2-SG 3.52Å; V526-C533 PolarHBondContact N-O 2.87Å; V526-C533 PolarHBondContact O-N 2.88Å
534	K	93.7	Very high	95.5	Very high	92 Å²	92	21 Å²	21	40%	0.4	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112	165.5	-67.8	-177	-176.2	176.4	0	107.9	A353 L375 V523	A353-K534 PolarHBondContact N-O 3.49Å; L375-K534 HydrophobicContact CD2-CD 4.34Å; L375-K534 HydrophobicContact CD2-CG 3.74Å; V523-K534 HydrophobicContact CG1-CB 4.03Å
535	L	94.2	Very high	95.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.2	-177	-167.9	73.4	0	0	0	110.1	V337 A353 L356 V523 I524 V526 I540	V337-L535 HydrophobicContact CG1-CD1 4.14Å; V337-L535 HydrophobicContact CG1-CD2 4.06Å; A353-L535 WeakPolarHBondContact O-CD1 3.34Å; L356-L535 HydrophobicContact CD2-CD1 4.19Å; L356-L535 HydrophobicContact CD2-CD2 4.45Å; V523-L535 VanDerWaalsContact CA-O 3.23Å; V523-L535 WeakPolarHBondContact CA-O 3.33Å; I524-L535 PolarHBondContact N-O 2.95Å; I524-L535 VanDerWaalsContact N-O 3.09Å; I524-L535 PolarHBondContact O-N 2.78Å; V526-L535 HydrophobicContact CG1-CB 4.4Å; V526-L535 HydrophobicContact CG2-CB 3.86Å; V526-L535 HydrophobicContact CG2-CD2 4.42Å; L535-I540 HydrophobicContact CD2-CD1 3.65Å; L535-I540 HydrophobicContact CD2-CG1 4.05Å
536	A	93.7	Very high	95.5	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.033	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-60.1	162.2	170.4	0	0	0	0	0	111.3	A352 A353 S538	A352-A536 HydrophobicContact CB-CB 4.15Å; A353-A536 PolarHBondContact O-N 3.12Å; A536-S538 WeakPolarHBondContact O-CB 3.38Å; A536-S538 PolarHBondContact O-N 2.94Å; A536-S538 PolarHBondContact O-OG 3.2Å
537	P	94.7	Very high	95.4	Very high	12 Å²	12	29 Å²	29	8%	0.078	16%	0.158	C	C	.	.	S	Bend	trans	-49.9	116.5	173.4	-25.4	33.8	0	0	0	111.5	N340 I343 E349 T520	N340-P537 HydrophobicContact CB-CB 4.35Å; N340-P537 PolarHBondContact N-O 3.25Å; I343-P537 HydrophobicContact CB-CB 4.41Å; I343-P537 HydrophobicContact CG2-CB 4.32Å; I343-P537 HydrophobicContact CG2-CG 4.34Å; E349-P537 WeakPolarHBondContact OE1-CD 3.27Å; T520-P537 WeakPolarHBondContact OG1-CA 3.25Å
538	S	96	Very high	95.4	Very high	2 Å²	2	29 Å²	29	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.9	-167.4	-61	0	0	0	0	111.8	S338 A519 T520 A536	S338-S538 CarbonylContact O-C 3.5Å; S338-S538 WeakPolarHBondContact O-CA 3.34Å; S338-S538 WeakPolarHBondContact O-CB 3.49Å; A519-S538 WeakPolarHBondContact CA-O 3.47Å; T520-S538 PolarHBondContact N-O 3.46Å; T520-S538 PolarHBondContact OG1-N 2.76Å; T520-S538 PolarHBondContact OG1-O 3.35Å; A536-S538 WeakPolarHBondContact O-CB 3.38Å; A536-S538 PolarHBondContact O-N 2.94Å; A536-S538 PolarHBondContact O-OG 3.2Å
539	V	97.8	Very high	95.3	Very high	17 Å²	17	30.1 Å²	30.1	10%	0.103	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118	161.9	-178.7	0	0	0	0	107.6	S338 N340 R517 A519 T541	S338-V539 PolarHBondContact N-O 3.05Å; S338-V539 PolarHBondContact O-N 2.83Å; S338-V539 PolarHBondContact OG-O 3.34Å; N340-V539 HydrophobicContact CB-CG2 4.28Å; R517-V539 HydrophobicContact CG-CG1 4.16Å; A519-V539 HydrophobicContact CB-CG2 4.17Å; V539-T541 HydrophobicContact CG1-CG2 4.4Å
540	I	98.4	Very high	95.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.1	-177.7	-54.4	170.7	0	0	0	107.2	I335 D336 V337 F365 R517 L518 T520 L535	I335-I540 HydrophobicContact CG2-CG2 3.59Å; D336-I540 CarbonylContact O-C 3.57Å; D336-I540 WeakPolarHBondContact O-CA 3.49Å; V337-I540 HydrophobicContact CG2-CG1 4.22Å; V337-I540 HydrophobicContact CG2-CG2 4.29Å; F365-I540 HydrophobicContact CE2-CD1 4.46Å; F365-I540 HydrophobicContact CE2-CG2 4.46Å; F365-I540 HydrophobicContact CZ-CD1 3.87Å; F365-I540 HydrophobicContact CZ-CG2 4.43Å; R517-I540 WeakPolarHBondContact CA-O 3.28Å; L518-I540 HydrophobicContact CB-CB 4.38Å; L518-I540 HydrophobicContact CD2-CD1 4.26Å; L518-I540 PolarHBondContact N-O 2.98Å; L518-I540 PolarHBondContact O-N 3.11Å; T520-I540 HydrophobicContact CG2-CD1 4.41Å; L535-I540 HydrophobicContact CD2-CD1 3.65Å; L535-I540 HydrophobicContact CD2-CG1 4.05Å
541	T	98.5	Very high	95.5	Very high	21 Å²	21	27.5 Å²	27.5	13%	0.129	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.9	173.5	72.2	0	0	0	0	110.6	I335 D336 Y515 L516 R517 V539	I335-T541 WeakPolarHBondContact CA-O 3.32Å; D336-T541 WeakPolarHBondContact CB-OG1 3.32Å; D336-T541 PolarHBondContact N-O 2.81Å; D336-T541 PolarHBondContact O-N 3.26Å; Y515-T541 VanDerWaalsContact OH-CG2 3.26Å; Y515-T541 WeakPolarHBondContact OH-CG2 3.46Å; L516-T541 CarbonylContact O-C 3.55Å; L516-T541 WeakPolarHBondContact O-CA 3.28Å; R517-T541 HydrophobicContact CB-CG2 4.39Å; R517-T541 HydrophobicContact CG-CG2 4.21Å; V539-T541 HydrophobicContact CG1-CG2 4.4Å
542	I	98.7	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.1	178.7	-50.2	-176.9	0	0	0	108.3	W333 F334 I335 M361 F365 I441 I488 Y515 L516	W333-I542 HydrophobicContact CB-CG2 3.93Å; W333-I542 HydrophobicContact CD2-CG2 4.45Å; W333-I542 HydrophobicContact CE3-CG2 3.97Å; W333-I542 HydrophobicContact CG-CG2 4.45Å; F334-I542 WeakPolarHBondContact O-CA 3.4Å; I335-I542 HydrophobicContact CG1-CD1 4.48Å; I335-I542 HydrophobicContact CG1-CG1 4.17Å; I335-I542 HydrophobicContact CG1-CG2 4.5Å; I335-I542 HydrophobicContact CG2-CG1 4.41Å; M361-I542 HydrophobicContact CE-CG2 4.35Å; F365-I542 HydrophobicContact CB-CD1 4.31Å; F365-I542 HydrophobicContact CD1-CD1 4.44Å; F365-I542 HydrophobicContact CG-CD1 4.28Å; I441-I542 HydrophobicContact CB-CD1 4.43Å; I441-I542 HydrophobicContact CG1-CD1 4.39Å; I441-I542 HydrophobicContact CG2-CD1 4.06Å; I488-I542 HydrophobicContact CD1-CB 4.33Å; I488-I542 HydrophobicContact CD1-CG2 4.16Å; Y515-I542 WeakPolarHBondContact CA-O 3.18Å; L516-I542 HydrophobicContact CB-CB 4.28Å; L516-I542 HydrophobicContact CD2-CD1 4.09Å; L516-I542 HydrophobicContact CD2-CG1 4.1Å; L516-I542 PolarHBondContact N-O 3.31Å; L516-I542 PolarHBondContact O-N 3Å
543	S	98.2	Very high	95.4	Very high	39 Å²	39	28.4 Å²	28.4	27%	0.273	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.4	179.2	62.5	0	0	0	0	111	W333 F334 F545	W333-S543 CarbonylContact C-O 3.58Å; W333-S543 WeakPolarHBondContact CA-O 3.4Å; F334-S543 PolarHBondContact N-O 3.28Å; F334-S543 PolarHBondContact O-N 3.21Å; F334-S543 VanDerWaalsContact O-N 3.1Å; S543-F545 PolarHBondContact O-N 2.9Å
544	L	97.6	Very high	94.9	Very high	70 Å²	70	28.3 Å²	28.3	37%	0.366	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	124.3	178.2	-174.3	69.3	0	0	0	110.3	D331 W333	D331-L544 HydrophobicContact CB-CD1 4Å; W333-L544 HydrophobicContact CE3-CB 4.39Å; W333-L544 VanDerWaalsContact CE3-N 3.32Å; W333-L544 HydrophobicContact CH2-CB 4.4Å; W333-L544 HydrophobicContact CZ2-CD1 4.16Å; W333-L544 HydrophobicContact CZ3-CB 4.17Å
545	F	95.9	Very high	94.1	Very high	88 Å²	88	26.3 Å²	26.3	39%	0.386	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-59	175.8	179.3	-127	0	0	0	110.5	R332 F334 V360 S543	R332-F545 HydrophobicContact CB-CD1 4.42Å; R332-F545 WeakPolarHBondContact O-CA 3.23Å; R332-F545 VanDerWaalsContact O-CB 3.28Å; R332-F545 WeakPolarHBondContact O-CB 3.39Å; R332-F545 PolarHBondContact O-N 3.41Å; F334-F545 HydrophobicContact CB-CB 3.96Å; F334-F545 HydrophobicContact CB-CD2 4.2Å; F334-F545 HydrophobicContact CB-CG 4.41Å; F334-F545 HydrophobicContact CD2-CD2 4.43Å; V360-F545 HydrophobicContact CG1-CD1 4.06Å; V360-F545 HydrophobicContact CG2-CD1 4.33Å; V360-F545 HydrophobicContact CG2-CE1 4.35Å; S543-F545 PolarHBondContact O-N 2.9Å
546	C	93.5	Very high	93.2	Very high	18 Å²	18	33 Å²	33	12%	0.122	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	166.4	177.3	64.6	0	0	0	0	110.9	R332	R332-C546 PolarHBondContact N-O 3.47Å; R332-C546 PolarHBondContact O-N 3.33Å
547	K	94.2	Very high	92.1	Very high	67 Å²	67	41.1 Å²	41.1	29%	0.291	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134	166	-51.3	-161.7	175	-106.8	0	109	F330 D331 E484	F330-K547 CarbonylContact O-C 3.59Å; F330-K547 WeakPolarHBondContact O-CA 3.38Å; D331-K547 WeakPolarHBondContact OD1-CD 3.37Å; D331-K547 VanDerWaalsContact OD1-CE 3.22Å; D331-K547 WeakPolarHBondContact OD1-CE 3.34Å; D331-K547 WeakPolarHBondContact OD1-CG 3.26Å; D331-K547 IonicContact OD1-NZ 3.31Å; D331-K547 PolarHBondContact OD1-NZ 3.35Å; D331-K547 IonicContact OD2-NZ 3.56Å; D331-K547 PolarHBondContact OD2-NZ 3.38Å; E484-K547 PolarHBondContact O-NZ 2.81Å
548	V	94.4	Very high	90.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.9	-178.8	-61.2	0	0	0	0	111	F272 Y285 K329 F330 R332	F272-V548 HydrophobicContact CD1-CG2 4.44Å; F272-V548 HydrophobicContact CE1-CB 4.25Å; F272-V548 HydrophobicContact CE1-CG2 3.57Å; F272-V548 HydrophobicContact CZ-CG2 3.72Å; Y285-V548 HydrophobicContact CD2-CB 4.19Å; Y285-V548 HydrophobicContact CD2-CG1 3.5Å; Y285-V548 HydrophobicContact CE2-CG1 3.89Å; Y285-V548 HydrophobicContact CG-CG1 4.32Å; K329-V548 CarbonylContact C-O 3.58Å; F330-V548 HydrophobicContact CB-CG2 4.18Å; F330-V548 WeakPolarHBondContact CB-O 3.27Å; F330-V548 HydrophobicContact CD1-CG2 3.95Å; F330-V548 PolarHBondContact N-O 3.48Å; F330-V548 PolarHBondContact O-N 3.27Å; R332-V548 HydrophobicContact CG-CG2 4.08Å
549	P	94.5	Very high	89.5	Confident	24 Å²	24	45.1 Å²	45.1	16%	0.156	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	136.9	178.8	31.1	-32.8	0	0	0	111.4	Y285 P287 I288 I327 V328	Y285-P549 WeakPolarHBondContact O-CG 3.41Å; P287-P549 WeakPolarHBondContact CA-O 3.49Å; P287-P549 HydrophobicContact CB-CB 4Å; P287-P549 HydrophobicContact CB-CG 4.39Å; I288-P549 PolarHBondContact N-O 2.94Å; I327-P549 HydrophobicContact CG2-CB 3.65Å; V328-P549 CarbonylContact O-C 3.52Å; V328-P549 WeakPolarHBondContact O-CA 3.49Å
550	M	95.1	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.3	173.7	-75.2	-69.8	-65.3	0	0	109.9	F272 I288 I290 L299 M303 I327 V328 F330	F272-M550 HydrophobicContact CE1-SD 4.45Å; F272-M550 HydrophobicContact CE2-SD 4.38Å; F272-M550 HydrophobicContact CZ-CG 4.46Å; F272-M550 HydrophobicContact CZ-SD 3.59Å; F272-M550 VanDerWaalsContact CZ-SD 3.59Å; I288-M550 HydrophobicContact CB-CE 4.44Å; I288-M550 HydrophobicContact CB-SD 3.73Å; I288-M550 HydrophobicContact CG1-SD 4.47Å; I288-M550 WeakPolarHBondContact O-CE 3.27Å; I290-M550 HydrophobicContact CD1-CE 3.8Å; I290-M550 HydrophobicContact CG1-CE 4.2Å; L299-M550 HydrophobicContact CD2-CE 4.42Å; M303-M550 HydrophobicContact CE-CB 3.81Å; M303-M550 HydrophobicContact CE-CE 3.99Å; M303-M550 HydrophobicContact CE-CG 3.81Å; M303-M550 HydrophobicContact CG-CE 3.9Å; M303-M550 HydrophobicContact SD-CB 3.88Å; M303-M550 HydrophobicContact SD-CE 4.21Å; M303-M550 HydrophobicContact SD-CG 4.46Å; I327-M550 CarbonylContact C-O 3.59Å; I327-M550 WeakPolarHBondContact CA-O 3.45Å; V328-M550 HydrophobicContact CG2-CB 3.77Å; V328-M550 PolarHBondContact N-O 3.41Å; V328-M550 PolarHBondContact O-N 3.45Å; F330-M550 HydrophobicContact CB-CB 4.13Å; F330-M550 HydrophobicContact CB-CG 3.47Å; F330-M550 VanDerWaalsContact CB-CG 3.47Å; F330-M550 HydrophobicContact CD1-CG 4.14Å; F330-M550 HydrophobicContact CG-CG 3.85Å
551	L	95.1	Very high	86.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.3	172.5	-63.6	176.3	0	0	0	109.4	P287 I288 A289 W305 I321 K326 I327	P287-L551 HydrophobicContact CB-CD2 3.76Å; P287-L551 HydrophobicContact CB-CG 3.85Å; P287-L551 HydrophobicContact CG-CD2 4.22Å; I288-L551 PolarHBondContact O-N 3.02Å; A289-L551 HydrophobicContact CB-CB 3.93Å; A289-L551 HydrophobicContact CB-CD1 3.85Å; A289-L551 HydrophobicContact CB-CG 4.42Å; W305-L551 HydrophobicContact CZ2-CB 4.48Å; W305-L551 PolarHBondContact NE1-O 3.32Å; I321-L551 HydrophobicContact CG2-CD1 3.9Å; K326-L551 CarbonylContact O-C 3.55Å; K326-L551 WeakPolarHBondContact O-CA 3.39Å; I327-L551 HydrophobicContact CG1-CD2 3.87Å
552	K	93.8	Very high	85.4	Confident	37 Å²	37	56.3 Å²	56.3	16%	0.161	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.3	171.7	-173.8	-171.1	179.9	-164.3	0	109.4	M303 S325 K326 V328 I554 E558	M303-K552 CarbonylContact O-C 3.6Å; M303-K552 WeakPolarHBondContact O-CA 3.35Å; M303-K552 WeakPolarHBondContact O-CG 3.45Å; S325-K552 CarbonylContact C-O 3.56Å; S325-K552 VanDerWaalsContact CA-O 3.29Å; S325-K552 WeakPolarHBondContact CA-O 3.18Å; K326-K552 HydrophobicContact CG-CB 4.07Å; K326-K552 PolarHBondContact N-O 2.8Å; K326-K552 PolarHBondContact O-N 3.2Å; V328-K552 HydrophobicContact CG1-CB 3.85Å; V328-K552 HydrophobicContact CG1-CD 4.17Å; V328-K552 HydrophobicContact CG2-CB 4.19Å; K552-I554 PolarHBondContact O-N 3.11Å; K552-E558 IonicContact NZ-OE1 3.55Å; K552-E558 PolarHBondContact NZ-OE1 2.93Å; K552-E558 VanDerWaalsContact NZ-OE1 3.08Å
553	R	91.5	Very high	84.2	Confident	85 Å²	85	60.6 Å²	60.6	32%	0.321	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.4	171.6	-174.3	175.5	179.8	167.4	2.1	109.6	M303 W305 V320	M303-R553 PolarHBondContact O-N 3.01Å; W305-R553 HydrophobicContact CD2-CB 4.06Å; W305-R553 HydrophobicContact CE3-CB 4.1Å; W305-R553 HydrophobicContact CE3-CG 4.47Å; W305-R553 HydrophobicContact CH2-CB 4.01Å; W305-R553 HydrophobicContact CH2-CG 4.37Å; W305-R553 HydrophobicContact CZ2-CB 4.02Å; W305-R553 HydrophobicContact CZ3-CB 4.08Å; W305-R553 HydrophobicContact CZ3-CG 4.21Å; V320-R553 HydrophobicContact CG1-CG 4Å
554	I	83	Confident	83	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.072	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-78.9	126.2	175.5	-58.1	173.9	0	0	0	107.5	D324 K326 K552 E558 A559 L562 T569	D324-I554 PolarHBondContact O-N 3.3Å; K326-I554 HydrophobicContact CB-CD1 4.23Å; K326-I554 HydrophobicContact CB-CG1 4.24Å; K326-I554 HydrophobicContact CD-CG1 4.45Å; K326-I554 HydrophobicContact CG-CG1 4.15Å; K552-I554 PolarHBondContact O-N 3.11Å; I554-E558 HydrophobicContact CG2-CB 3.85Å; I554-A559 HydrophobicContact CG2-CB 4.02Å; I554-L562 HydrophobicContact CG2-CD1 4.4Å; I554-T569 HydrophobicContact CD1-CG2 3.13Å
555	S	77.2	Confident	81.8	Confident	51 Å²	51	66 Å²	66	36%	0.357	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-73.7	153.4	175.1	61.6	0	0	0	0	111.2	K557 E558 A559	S555-K557 PolarHBondContact O-N 3.18Å; S555-K557 VanDerWaalsContact O-N 3.14Å; S555-E558 WeakPolarHBondContact CB-OE2 3.45Å; S555-E558 PolarHBondContact N-OE2 3.23Å; S555-E558 PolarHBondContact O-N 3.29Å; S555-E558 WeakPolarHBondContact OG-CB 3.34Å; S555-E558 VanDerWaalsContact OG-CG 3.24Å; S555-E558 WeakPolarHBondContact OG-CG 3.11Å; S555-E558 PolarHBondContact OG-N 2.96Å; S555-E558 PolarHBondContact OG-OE2 2.85Å; S555-A559 PolarHBondContact O-N 3.37Å
556	D	74.7	Confident	80.3	Confident	141 Å²	141	64.9 Å²	64.9	75%	0.754	35%	0.351	S	S	*	.	H	α-helix	trans	-54.9	-36.5	177.8	-56.6	-29.8	0	0	0	112	A559 E560	D556-A559 PolarHBondContact O-N 2.82Å; D556-E560 WeakPolarHBondContact O-CB 3.39Å; D556-E560 PolarHBondContact O-N 2.95Å
557	K	71.2	Confident	78.4	Confident	174 Å²	174	68.1 Å²	68.1	76%	0.757	37%	0.367	S	S	*	.	H	α-helix	trans	-67.3	-41.2	175.4	-66.4	-172.9	178.5	-174.2	0	113	S555 A559 H561	S555-K557 PolarHBondContact O-N 3.18Å; S555-K557 VanDerWaalsContact O-N 3.14Å; K557-A559 VanDerWaalsContact C-N 3.34Å; K557-H561 WeakPolarHBondContact O-CB 3.08Å; K557-H561 PolarHBondContact O-N 3.07Å
558	E	68.6	Low	76.3	Confident	58 Å²	58	69.2 Å²	69.2	27%	0.271	38%	0.381	S	S	.	.	H	α-helix	trans	-66.6	-40.1	174.3	-76.7	166.2	133.4	0	0	110.2	K326 K552 I554 S555 H561 L562	K326-E558 IonicContact NZ-OE1 3.32Å; K552-E558 IonicContact NZ-OE1 3.55Å; K552-E558 PolarHBondContact NZ-OE1 2.93Å; K552-E558 VanDerWaalsContact NZ-OE1 3.08Å; I554-E558 HydrophobicContact CG2-CB 3.85Å; S555-E558 WeakPolarHBondContact CB-OE2 3.45Å; S555-E558 PolarHBondContact N-OE2 3.23Å; S555-E558 PolarHBondContact O-N 3.29Å; S555-E558 WeakPolarHBondContact OG-CB 3.34Å; S555-E558 VanDerWaalsContact OG-CG 3.24Å; S555-E558 WeakPolarHBondContact OG-CG 3.11Å; S555-E558 PolarHBondContact OG-N 2.96Å; S555-E558 PolarHBondContact OG-OE2 2.85Å; E558-H561 PolarHBondContact O-N 2.84Å; E558-L562 WeakPolarHBondContact O-CB 3.49Å; E558-L562 WeakPolarHBondContact O-CD1 3.47Å; E558-L562 VanDerWaalsContact O-CG 3.22Å; E558-L562 WeakPolarHBondContact O-CG 3.3Å; E558-L562 PolarHBondContact O-N 2.94Å
559	A	68.6	Low	74.3	Confident	40 Å²	40	71.1 Å²	71.1	33%	0.331	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-45.1	176.8	0	0	0	0	0	111.8	I554 S555 D556 K557 L562 S563	I554-A559 HydrophobicContact CG2-CB 4.02Å; S555-A559 PolarHBondContact O-N 3.37Å; D556-A559 PolarHBondContact O-N 2.82Å; K557-A559 VanDerWaalsContact C-N 3.34Å; A559-L562 PolarHBondContact O-N 3.46Å; A559-S563 WeakPolarHBondContact O-CB 3.39Å; A559-S563 PolarHBondContact O-N 3.36Å
560	E	73.5	Confident	71.9	Confident	121 Å²	121	76 Å²	76	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-61.1	-43.9	174.6	-173.3	-176.2	178	0	0	111.2	D556 S563 N564	D556-E560 WeakPolarHBondContact O-CB 3.39Å; D556-E560 PolarHBondContact O-N 2.95Å; E560-S563 WeakPolarHBondContact O-CB 3.41Å; E560-S563 PolarHBondContact O-N 3.22Å; E560-N564 WeakPolarHBondContact O-CB 3.49Å; E560-N564 PolarHBondContact O-N 3.23Å; E560-N564 PolarHBondContact O-ND2 3.38Å
561	H	68	Low	69.4	Low	113 Å²	113	81.3 Å²	81.3	52%	0.523	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-43.9	177.2	-175.4	63.7	0	0	0	112.7	K557 E558 N564 L565	K557-H561 WeakPolarHBondContact O-CB 3.08Å; K557-H561 PolarHBondContact O-N 3.07Å; E558-H561 PolarHBondContact O-N 2.84Å; H561-N564 PolarHBondContact O-N 3.32Å; H561-L565 WeakPolarHBondContact NE2-CD1 3.45Å; H561-L565 WeakPolarHBondContact O-CG 3.35Å; H561-L565 PolarHBondContact O-N 3.19Å
562	L	67.3	Low	66.9	Low	40 Å²	40	82.7 Å²	82.7	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-60.8	-45.5	175	-73.9	165	0	0	0	111.2	I554 E558 A559 N564 L565 G566 L567 T569	I554-L562 HydrophobicContact CG2-CD1 4.4Å; E558-L562 WeakPolarHBondContact O-CB 3.49Å; E558-L562 WeakPolarHBondContact O-CD1 3.47Å; E558-L562 VanDerWaalsContact O-CG 3.22Å; E558-L562 WeakPolarHBondContact O-CG 3.3Å; E558-L562 PolarHBondContact O-N 2.94Å; A559-L562 PolarHBondContact O-N 3.46Å; L562-N564 VanDerWaalsContact C-N 3.35Å; L562-N564 PolarHBondContact O-N 3.1Å; L562-L565 PolarHBondContact O-N 2.93Å; L562-G566 PolarHBondContact O-N 3.15Å; L562-L567 PolarHBondContact O-N 2.71Å; L562-T569 HydrophobicContact CD1-CG2 4.2Å
563	S	71.8	Confident	64.5	Low	90 Å²	90	83.8 Å²	83.8	63%	0.629	45%	0.453	S	S	*	.	H	α-helix	trans	-58.8	-44.8	175.1	-177.9	0	0	0	0	111.9	A559 E560 L565 G566	A559-S563 WeakPolarHBondContact O-CB 3.39Å; A559-S563 PolarHBondContact O-N 3.36Å; E560-S563 WeakPolarHBondContact O-CB 3.41Å; E560-S563 PolarHBondContact O-N 3.22Å; S563-L565 VanDerWaalsContact C-N 3.29Å; S563-L565 PolarHBondContact O-N 2.88Å; S563-G566 PolarHBondContact O-N 3.46Å; S563-G566 VanDerWaalsContact O-N 3.11Å
564	N	74.2	Confident	61.9	Low	121 Å²	121	82.1 Å²	82.1	65%	0.647	45%	0.453	S	S	*	.	H	α-helix	trans	-67	-28.7	-179.8	-72.4	-22.1	0	0	0	113.1	E560 H561 L562 G566	E560-N564 WeakPolarHBondContact O-CB 3.49Å; E560-N564 PolarHBondContact O-N 3.23Å; E560-N564 PolarHBondContact O-ND2 3.38Å; H561-N564 PolarHBondContact O-N 3.32Å; L562-N564 VanDerWaalsContact C-N 3.35Å; L562-N564 PolarHBondContact O-N 3.1Å; N564-G566 VanDerWaalsContact C-N 3.26Å
565	L	72.7	Confident	60	Low	100 Å²	100	90.5 Å²	90.5	52%	0.524	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.3	174.9	-70.8	175.2	0	0	0	113.3	H561 L562 S563 L567	H561-L565 WeakPolarHBondContact NE2-CD1 3.45Å; H561-L565 WeakPolarHBondContact O-CG 3.35Å; H561-L565 PolarHBondContact O-N 3.19Å; L562-L565 PolarHBondContact O-N 2.93Å; S563-L565 VanDerWaalsContact C-N 3.29Å; S563-L565 PolarHBondContact O-N 2.88Å; L565-L567 HydrophobicContact CB-CB 4.41Å; L565-L567 HydrophobicContact CB-CD1 4.05Å; L565-L567 HydrophobicContact CB-CG 4.03Å; L565-L567 HydrophobicContact CD1-CD1 4.04Å; L565-L567 PolarHBondContact O-N 3.48Å; L565-L567 VanDerWaalsContact O-N 3.09Å
566	G	62.8	Low	58.1	Low	65 Å²	65	93.1 Å²	93.1	67%	0.67	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	10.8	-172.7	0	0	0	0	0	113.4	L562 S563 N564	L562-G566 PolarHBondContact O-N 3.15Å; S563-G566 PolarHBondContact O-N 3.46Å; S563-G566 VanDerWaalsContact O-N 3.11Å; N564-G566 VanDerWaalsContact C-N 3.26Å
567	L	54.4	Low	56.1	Low	86 Å²	86	91.1 Å²	91.1	45%	0.45	49%	0.492	S	S	.	.			trans	-78.1	129.2	174.6	-69.5	172.5	0	0	0	107.2	L562 L565 T569	L562-L567 PolarHBondContact O-N 2.71Å; L565-L567 HydrophobicContact CB-CB 4.41Å; L565-L567 HydrophobicContact CB-CD1 4.05Å; L565-L567 HydrophobicContact CB-CG 4.03Å; L565-L567 HydrophobicContact CD1-CD1 4.04Å; L565-L567 PolarHBondContact O-N 3.48Å; L565-L567 VanDerWaalsContact O-N 3.09Å; L567-T569 PolarHBondContact O-N 3.18Å
568	P	49.9	Very low	54.5	Low	91 Å²	91	86.1 Å²	86.1	59%	0.591	48%	0.477	S	S	*	.			trans	-53.3	143.1	163.6	-8.8	20.2	0	0	0	107.1	E570	P568-E570 PolarHBondContact O-N 3.24Å
569	T	52.3	Low	52.9	Low	42 Å²	42	86.7 Å²	86.7	26%	0.258	49%	0.487	S	S	.	.			trans	-56.9	95.7	162.7	-60.1	0	0	0	0	106.7	I554 L562 L567 Y571 A572	I554-T569 HydrophobicContact CD1-CG2 3.13Å; L562-T569 HydrophobicContact CD1-CG2 4.2Å; L567-T569 PolarHBondContact O-N 3.18Å; T569-Y571 PolarHBondContact O-N 3.11Å; T569-A572 HydrophobicContact CG2-CB 3.66Å; T569-A572 PolarHBondContact O-N 3.12Å
570	E	43.7	Very low	51.4	Low	127 Å²	127	88.3 Å²	88.3	59%	0.593	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	8.1	-168.3	-90.7	-175.7	164.2	0	0	114.4	P568	P568-E570 PolarHBondContact O-N 3.24Å
571	Y	43.5	Very low	49.9	Very low	110 Å²	110	86 Å²	86	43%	0.431	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-4.7	175.2	-57.5	-86	0	0	0	114.5	K326 I327 T569 L573	K326-Y571 VanDerWaalsContact CA-CB 3.4Å; K326-Y571 HydrophobicContact CB-CD2 3.71Å; K326-Y571 HydrophobicContact CB-CG 3.61Å; K326-Y571 HydrophobicContact CD-CD2 4.3Å; I327-Y571 HydrophobicContact CB-CD1 4.05Å; I327-Y571 HydrophobicContact CB-CE1 4.48Å; I327-Y571 WeakPolarHBondContact O-CE1 3.48Å; T569-Y571 PolarHBondContact O-N 3.11Å; Y571-L573 VanDerWaalsContact C-N 3.31Å; Y571-L573 PolarHBondContact O-N 3.19Å; Y571-L573 VanDerWaalsContact O-N 3.15Å
572	A	42.1	Very low	48.6	Very low	31 Å²	31	85.4 Å²	85.4	26%	0.256	48%	0.484	S	S	.	.	S	Bend	trans	-85.6	81	166	0	0	0	0	0	107.4	H323 T569 P574	H323-A572 VanDerWaalsContact O-CB 3.23Å; H323-A572 WeakPolarHBondContact O-CB 3.24Å; T569-A572 HydrophobicContact CG2-CB 3.66Å; T569-A572 PolarHBondContact O-N 3.12Å; A572-P574 VanDerWaalsContact O-N 3.16Å
573	L	44.3	Very low	47	Very low	60 Å²	60	90.2 Å²	90.2	31%	0.314	51%	0.505	S	S	.	.			trans	16.9	88.8	167.5	-62.1	178.8	0	0	0	114.4	F203 V322 Y571 R575	F203-L573 HydrophobicContact CD2-CD1 3.58Å; F203-L573 HydrophobicContact CD2-CD2 3.93Å; F203-L573 HydrophobicContact CD2-CG 4.38Å; F203-L573 HydrophobicContact CE1-CD2 4.2Å; F203-L573 HydrophobicContact CE2-CD1 3.44Å; F203-L573 VanDerWaalsContact CE2-CD1 3.44Å; F203-L573 HydrophobicContact CE2-CD2 3.06Å; F203-L573 HydrophobicContact CE2-CG 3.85Å; F203-L573 HydrophobicContact CZ-CD1 4.44Å; F203-L573 HydrophobicContact CZ-CD2 3.22Å; F203-L573 HydrophobicContact CZ-CG 4.43Å; V322-L573 HydrophobicContact CG1-CD1 4.47Å; Y571-L573 VanDerWaalsContact C-N 3.31Å; Y571-L573 PolarHBondContact O-N 3.19Å; Y571-L573 VanDerWaalsContact O-N 3.15Å; L573-R575 VanDerWaalsContact C-N 3.35Å; L573-R575 PolarHBondContact O-N 3.41Å
574	P	36.7	Very low	45.5	Very low	49 Å²	49	92.7 Å²	92.7	32%	0.318	51%	0.511	S	S	.	.			trans	-60	104.5	171.4	21.5	-28.9	0	0	0	107.9	A572 S576 N577	A572-P574 VanDerWaalsContact O-N 3.16Å; P574-S576 PolarHBondContact O-N 3.21Å; P574-N577 PolarHBondContact O-N 3.07Å
575	R	41.7	Very low	43.9	Very low	191 Å²	191	95.9 Å²	95.9	72%	0.721	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.2	169.4	-74.7	-175.6	177	178.6	1.3	111.1	L573	L573-R575 VanDerWaalsContact C-N 3.35Å; L573-R575 PolarHBondContact O-N 3.41Å
576	S	37.8	Very low	42.6	Very low	106 Å²	106	95.4 Å²	95.4	74%	0.741	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-10.9	-175.6	48.5	0	0	0	0	115.7	P574	P574-S576 PolarHBondContact O-N 3.21Å
577	N	33.5	Very low	41.9	Very low	99 Å²	99	95.5 Å²	95.5	53%	0.529	51%	0.511	S	S	.	.			trans	-161.3	96.4	173.8	-120.9	-14.5	0	0	0	113.3	P574 S579	P574-N577 PolarHBondContact O-N 3.07Å; N577-S579 PolarHBondContact O-N 3.46Å
578	P	37.1	Very low	41.9	Very low	69 Å²	69	92.7 Å²	92.7	45%	0.448	50%	0.499	S	S	.	.	S	Bend	trans	-66.6	-13.4	178	-20.5	32.2	0	0	0	115.3	P201	P201-P578 HydrophobicContact CG-CB 4.3Å
579	S	36.1	Very low	42.6	Very low	69 Å²	69	91.1 Å²	91.1	48%	0.483	49%	0.489	S	S	.	.	S	Bend	trans	-82.8	-37.2	-166.3	-48.2	0	0	0	0	114.5	N577 E583	N577-S579 PolarHBondContact O-N 3.46Å; S579-E583 WeakPolarHBondContact O-CG 3.4Å; S579-E583 PolarHBondContact O-N 2.66Å
580	S	35.6	Very low	43.4	Very low	74 Å²	74	90.4 Å²	90.4	52%	0.517	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-22.4	-164.6	63.3	0	0	0	0	116
581	V	41.6	Very low	45.1	Very low	74 Å²	74	92.3 Å²	92.3	45%	0.448	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.9	-178.5	-177.9	0	0	0	0	112.1
582	W	40.5	Very low	47.1	Very low	100 Å²	100	87.4 Å²	87.4	38%	0.379	47%	0.474	S	S	.	.	S	Bend	trans	-122.4	16.5	-174.9	-57.5	89.9	0	0	0	112.6	F203 P255 D584 K585	F203-W582 HydrophobicContact CE1-CZ2 4.31Å; P255-W582 HydrophobicContact CB-CZ3 4.27Å; P255-W582 HydrophobicContact CG-CZ3 4.12Å; W582-D584 CarbonylContact O-C 3.41Å; W582-D584 PolarHBondContact O-N 2.85Å; W582-K585 PolarHBondContact O-N 3.08Å
583	E	34.6	Very low	49.3	Very low	141 Å²	141	90.5 Å²	90.5	66%	0.659	48%	0.482	S	S	*	.			trans	-63.7	-18.8	171.9	-101.3	162.1	-154.7	0	0	112.3	S579 K585	S579-E583 WeakPolarHBondContact O-CG 3.4Å; S579-E583 PolarHBondContact O-N 2.66Å; E583-K585 PolarHBondContact O-N 3.21Å
584	D	41.5	Very low	51.5	Low	142 Å²	142	87.7 Å²	87.7	76%	0.759	47%	0.467	S	S	*	.			trans	-73.5	56.2	152.4	-84.3	-16.7	0	0	0	110.6	W582 T586	W582-D584 CarbonylContact O-C 3.41Å; W582-D584 PolarHBondContact O-N 2.85Å; D584-T586 PolarHBondContact O-N 3.44Å
585	K	39.9	Very low	54.1	Low	187 Å²	187	85.9 Å²	85.9	81%	0.813	46%	0.455	S	S	*	.			trans	-62	69.8	137.4	-78.8	-175.6	177.4	-178.9	0	105.5	W582 E583 S587	W582-K585 PolarHBondContact O-N 3.08Å; E583-K585 PolarHBondContact O-N 3.21Å; K585-S587 PolarHBondContact O-N 3.09Å
586	T	44.2	Very low	56.5	Low	90 Å²	90	77.6 Å²	77.6	55%	0.552	42%	0.424	S	S	*	.			trans	-57.2	92.9	141.1	41.1	0	0	0	0	102.5	D584 C588	D584-T586 PolarHBondContact O-N 3.44Å; T586-C588 PolarHBondContact O-N 2.94Å
587	S	48.4	Very low	59.1	Low	68 Å²	68	72.7 Å²	72.7	48%	0.476	39%	0.39	S	S	.	.			trans	-55.1	105.1	165.5	65	0	0	0	0	102	K585 S589	K585-S587 PolarHBondContact O-N 3.09Å; S587-S589 PolarHBondContact O-N 3.21Å; S587-S589 PolarHBondContact O-OG 3.33Å; S587-S589 PolarHBondContact OG-OG 3.07Å; S587-S589 VanDerWaalsContact OG-OG 3.07Å
588	C	55.2	Low	61.7	Low	27 Å²	27	70.1 Å²	70.1	18%	0.182	38%	0.383	C	S	.	.			trans	-72	52.1	164.1	-74.4	0	0	0	0	106.4	P281 T586 C590 Y626	P281-C588 HydrophobicContact CG-CB 4.31Å; T586-C588 PolarHBondContact O-N 2.94Å; C588-C590 PolarHBondContact O-N 3.4Å; C588-Y626 HydrophobicContact CB-CD2 3.93Å; C588-Y626 HydrophobicContact CB-CE2 3.93Å; C588-Y626 WeakPolarHBondContact O-CD2 3.11Å; C588-Y626 WeakPolarHBondContact O-CE2 3.36Å
589	S	64	Low	64.1	Low	57 Å²	57	67.9 Å²	67.9	40%	0.399	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	121.6	164.9	49.6	0	0	0	0	104.8	S587 A624	S587-S589 PolarHBondContact O-N 3.21Å; S587-S589 PolarHBondContact O-OG 3.33Å; S587-S589 PolarHBondContact OG-OG 3.07Å; S587-S589 VanDerWaalsContact OG-OG 3.07Å; S589-A624 WeakPolarHBondContact CA-O 3.43Å
590	C	69.2	Low	66.6	Low	27 Å²	27	67.8 Å²	67.8	18%	0.182	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.2	169	63.6	0	0	0	0	107.5	C588 V592 A624 Y626	C588-C590 PolarHBondContact O-N 3.4Å; C590-V592 PolarHBondContact O-N 2.96Å; C590-V592 WeakPolarHBondContact SG-CG2 3.31Å; C590-A624 PolarHBondContact N-O 3.05Å; C590-A624 PolarHBondContact O-N 3.37Å; C590-A624 PolarHBondContact SG-O 3.31Å; C590-Y626 HydrophobicContact CB-CE2 4.1Å
591	K	80.5	Confident	69.1	Low	167 Å²	167	65.9 Å²	65.9	73%	0.726	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	102.6	170.4	-86.2	-172.3	-178	-171.5	0	107.9	T621 D623	K591-T621 HydrophobicContact CB-CG2 3.52Å; K591-T621 HydrophobicContact CD-CG2 4.34Å; K591-T621 HydrophobicContact CG-CG2 3.87Å; K591-D623 VanDerWaalsContact CG-OD1 3.32Å; K591-D623 WeakPolarHBondContact CG-OD1 3.44Å
592	V	83.7	Confident	71.4	Confident	8 Å²	8	62.5 Å²	62.5	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111	-178.2	-175.3	0	0	0	0	108.9	C590 V594 T621 I622 A624 V677 I687	C590-V592 PolarHBondContact O-N 2.96Å; C590-V592 WeakPolarHBondContact SG-CG2 3.31Å; V592-V594 PolarHBondContact O-N 3.4Å; V592-T621 CarbonylContact O-C 3.52Å; V592-T621 VanDerWaalsContact O-CA 3.28Å; V592-T621 WeakPolarHBondContact O-CA 3.31Å; V592-I622 PolarHBondContact N-O 3.06Å; V592-I622 PolarHBondContact O-N 3.16Å; V592-A624 HydrophobicContact CG2-CB 3.71Å; V592-V677 HydrophobicContact CB-CG1 4.4Å; V592-V677 HydrophobicContact CG1-CG1 3.66Å; V592-V677 HydrophobicContact CG2-CG1 3.79Å; V592-I687 HydrophobicContact CG1-CB 4.32Å; V592-I687 HydrophobicContact CG1-CD1 3.65Å; V592-I687 HydrophobicContact CG1-CG1 3.6Å
593	K	88.7	Confident	73.6	Confident	96 Å²	96	62.9 Å²	62.9	42%	0.417	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.2	172.3	-174.5	-177.4	178.8	-173.7	0	109.3	C618 G686 I687	K593-C618 WeakPolarHBondContact CE-SG 3.46Å; K593-G686 CarbonylContact O-C 3.52Å; K593-G686 VanDerWaalsContact O-C 3.29Å; K593-G686 WeakPolarHBondContact O-CA 3.45Å; K593-I687 PolarHBondContact O-N 3.12Å
594	V	91.2	Very high	76.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	174.1	-173.2	0	0	0	0	108.3	V592 I619 G620 I622 V637 M640 I687	V592-V594 PolarHBondContact O-N 3.4Å; V594-I619 HydrophobicContact CG1-CD1 4.36Å; V594-I619 PolarHBondContact O-N 2.97Å; V594-G620 PolarHBondContact N-O 3.17Å; V594-G620 PolarHBondContact O-N 3.43Å; V594-I622 HydrophobicContact CG2-CB 4.47Å; V594-I622 HydrophobicContact CG2-CD1 3.64Å; V594-I622 HydrophobicContact CG2-CG1 3.81Å; V594-V637 HydrophobicContact CG1-CG1 4.28Å; V594-V637 HydrophobicContact CG1-CG2 4.29Å; V594-M640 HydrophobicContact CB-CE 4.2Å; V594-M640 HydrophobicContact CG2-CE 4.43Å; V594-M640 HydrophobicContact CG2-SD 4.34Å; V594-I687 CarbonylContact C-O 3.48Å; V594-I687 WeakPolarHBondContact CA-O 3.34Å; V594-I687 HydrophobicContact CG1-CG2 4.41Å; V594-I687 HydrophobicContact CG2-CB 4.37Å
595	S	92.2	Very high	78.5	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.5	179.8	-52.2	0	0	0	0	110.6	K617 I687 L688 I689	S595-K617 CarbonylContact C-O 3.57Å; S595-K617 WeakPolarHBondContact CA-O 3.11Å; S595-K617 VanDerWaalsContact CB-O 3.29Å; S595-K617 WeakPolarHBondContact CB-O 3.47Å; S595-I687 PolarHBondContact N-O 3.4Å; S595-L688 CarbonylContact O-C 3.38Å; S595-L688 WeakPolarHBondContact O-CA 3.27Å; S595-I689 WeakPolarHBondContact O-CG1 3.26Å; S595-I689 PolarHBondContact O-N 3.34Å
596	Y	92.2	Very high	80.6	Confident	16 Å²	16	52.3 Å²	52.3	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156	176.4	72.4	-80.1	0	0	0	113.3	A616 K617 I619 D644 I689 L691	Y596-A616 WeakPolarHBondContact O-CA 3.49Å; Y596-K617 HydrophobicContact CD1-CB 3.95Å; Y596-K617 WeakPolarHBondContact CD1-O 3.39Å; Y596-K617 HydrophobicContact CE1-CB 3.63Å; Y596-K617 HydrophobicContact CE1-CD 4.36Å; Y596-K617 HydrophobicContact CE2-CB 4.41Å; Y596-K617 HydrophobicContact CE2-CD 4.24Å; Y596-K617 PolarHBondContact N-O 3.15Å; Y596-K617 PolarHBondContact O-N 3.13Å; Y596-I619 HydrophobicContact CD1-CD1 3.58Å; Y596-I619 HydrophobicContact CD1-CG1 3.26Å; Y596-I619 HydrophobicContact CE1-CD1 4.37Å; Y596-I619 HydrophobicContact CE1-CG1 3.78Å; Y596-I619 HydrophobicContact CG-CD1 4.16Å; Y596-I619 HydrophobicContact CG-CG1 4.28Å; Y596-D644 WeakPolarHBondContact CE1-OD2 3.38Å; Y596-I689 CarbonylContact C-O 3.55Å; Y596-I689 WeakPolarHBondContact CA-O 3.44Å; Y596-L691 HydrophobicContact CD2-CD1 3.28Å; Y596-L691 HydrophobicContact CD2-CG 3.75Å; Y596-L691 HydrophobicContact CE2-CD1 3.7Å; Y596-L691 HydrophobicContact CG-CD1 3.89Å; Y596-L691 HydrophobicContact CG-CG 4.16Å
597	V	91.1	Very high	82.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.1	167.9	-71.9	0	0	0	0	109.9	L612 A616 L656 L688 I689 V690 L691	V597-L612 HydrophobicContact CB-CD1 4.47Å; V597-L612 HydrophobicContact CG1-CD1 4.17Å; V597-L612 HydrophobicContact CG1-CG 4.45Å; V597-L612 HydrophobicContact CG2-CD1 4.27Å; V597-A616 HydrophobicContact CG1-CB 3.94Å; V597-L656 HydrophobicContact CG2-CD1 3.66Å; V597-L688 HydrophobicContact CG1-CD1 4.18Å; V597-I689 WeakPolarHBondContact CG2-O 3.45Å; V597-I689 PolarHBondContact N-O 2.85Å; V597-V690 HydrophobicContact CG2-CB 4.23Å; V597-V690 HydrophobicContact CG2-CG2 4.34Å; V597-V690 WeakPolarHBondContact O-CA 3.2Å; V597-L691 PolarHBondContact O-N 2.85Å
598	A	89.4	Confident	84.4	Confident	46 Å²	46	54.3 Å²	54.3	38%	0.38	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147	171.5	0	0	0	0	0	110.8	S600 T601 Y602	A598-S600 VanDerWaalsContact C-N 3.27Å; A598-S600 PolarHBondContact O-N 3.06Å; A598-T601 WeakPolarHBondContact O-CB 3.38Å; A598-T601 PolarHBondContact O-N 3.26Å; A598-Y602 PolarHBondContact O-N 3.14Å
599	W	87	Confident	85.7	Confident	21 Å²	21	54.1 Å²	54.1	8%	0.08	28%	0.276	C	S	.	.	H	α-helix	trans	-49.2	-45.3	177.4	-174.1	-94.6	0	0	0	113.7	F170 T601 Y602 E603 V690 L691 I692	F170-W599 HydrophobicContact CB-CH2 4.12Å; F170-W599 HydrophobicContact CB-CZ2 4.43Å; F170-W599 HydrophobicContact CD1-CH2 4.12Å; F170-W599 AromaticContact CD1-CZ2 3.59Å; F170-W599 HydrophobicContact CD1-CZ2 3.59Å; F170-W599 HydrophobicContact CE1-CZ2 4.29Å; F170-W599 HydrophobicContact CG-CH2 4.41Å; F170-W599 HydrophobicContact CG-CZ2 4.32Å; W599-T601 VanDerWaalsContact C-N 3.25Å; W599-T601 PolarHBondContact O-N 2.83Å; W599-Y602 HydrophobicContact CE3-CD1 4.43Å; W599-Y602 HydrophobicContact CZ3-CD1 4.41Å; W599-Y602 WeakPolarHBondContact O-CB 3.45Å; W599-Y602 PolarHBondContact O-N 3.32Å; W599-E603 PolarHBondContact NE1-OE1 2.9Å; W599-E603 PolarHBondContact O-N 2.56Å; W599-V690 HydrophobicContact CB-CG2 4.38Å; W599-V690 HydrophobicContact CE3-CG1 4.28Å; W599-V690 HydrophobicContact CE3-CG2 3.74Å; W599-V690 HydrophobicContact CZ3-CG1 4.24Å; W599-V690 HydrophobicContact CZ3-CG2 4.45Å; W599-L691 WeakPolarHBondContact CB-O 3.41Å; W599-L691 PolarHBondContact N-O 3.39Å; W599-L691 VanDerWaalsContact N-O 3.1Å; W599-I692 HydrophobicContact CE3-CG1 3.88Å; W599-I692 HydrophobicContact CZ3-CD1 4.38Å; W599-I692 HydrophobicContact CZ3-CG1 4.2Å
600	S	87.2	Confident	86.6	Confident	68 Å²	68	54.9 Å²	54.9	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-30	179.5	58.5	0	0	0	0	113.7	A598 K604	A598-S600 VanDerWaalsContact C-N 3.27Å; A598-S600 PolarHBondContact O-N 3.06Å; S600-K604 WeakPolarHBondContact O-CG 3.49Å
601	T	89.6	Confident	87.5	Confident	33 Å²	33	57.1 Å²	57.1	20%	0.202	29%	0.294	C	S	.	.	H	α-helix	trans	-77.6	-44.3	176.5	-57	0	0	0	0	110	A598 W599 E603 K604 L605 L612 H615	A598-T601 WeakPolarHBondContact O-CB 3.38Å; A598-T601 PolarHBondContact O-N 3.26Å; W599-T601 VanDerWaalsContact C-N 3.25Å; W599-T601 PolarHBondContact O-N 2.83Å; T601-E603 PolarHBondContact O-N 3.08Å; T601-K604 PolarHBondContact O-N 3.26Å; T601-L605 HydrophobicContact CG2-CD1 3.81Å; T601-L605 HydrophobicContact CG2-CG 4.5Å; T601-L605 WeakPolarHBondContact O-CB 3.49Å; T601-L605 PolarHBondContact O-N 2.97Å; T601-L612 HydrophobicContact CG2-CD1 4.44Å; T601-H615 HydrophobicContact CG2-CB 3.79Å
602	Y	89.2	Confident	87.9	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-48.4	174.1	169.3	-109.1	0	0	0	112	A598 W599 K604 L605 K606 L612 L656 V664 V690	A598-Y602 PolarHBondContact O-N 3.14Å; W599-Y602 HydrophobicContact CE3-CD1 4.43Å; W599-Y602 HydrophobicContact CZ3-CD1 4.41Å; W599-Y602 WeakPolarHBondContact O-CB 3.45Å; W599-Y602 PolarHBondContact O-N 3.32Å; Y602-K604 VanDerWaalsContact C-N 3.26Å; Y602-K604 PolarHBondContact O-N 3.4Å; Y602-L605 PolarHBondContact O-N 2.94Å; Y602-K606 HydrophobicContact CD2-CB 4.2Å; Y602-K606 HydrophobicContact CE2-CB 3.8Å; Y602-K606 WeakPolarHBondContact O-CA 3.08Å; Y602-K606 VanDerWaalsContact O-CB 3.24Å; Y602-K606 WeakPolarHBondContact O-CB 3.45Å; Y602-K606 PolarHBondContact O-N 2.9Å; Y602-L612 HydrophobicContact CD2-CD2 4.32Å; Y602-L656 HydrophobicContact CD2-CD1 3.7Å; Y602-L656 HydrophobicContact CD2-CD2 3.82Å; Y602-L656 HydrophobicContact CD2-CG 4.46Å; Y602-L656 HydrophobicContact CE2-CD1 4.16Å; Y602-L656 HydrophobicContact CE2-CD2 3.59Å; Y602-L656 HydrophobicContact CG-CD1 4.46Å; Y602-L656 HydrophobicContact CG-CD2 4.46Å; Y602-V664 HydrophobicContact CE2-CB 4.32Å; Y602-V664 HydrophobicContact CE2-CG1 4.1Å; Y602-V664 WeakPolarHBondContact CE2-O 3.34Å; Y602-V664 PolarHBondContact OH-O 3.28Å; Y602-V690 HydrophobicContact CD1-CG2 4.16Å; Y602-V690 HydrophobicContact CG-CB 4.48Å; Y602-V690 HydrophobicContact CG-CG2 3.99Å
603	E	87.4	Confident	88	Confident	109 Å²	109	50.8 Å²	50.8	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-35.6	-179.8	-75.6	-172.5	146.4	0	0	113.6	W599 T601	W599-E603 PolarHBondContact NE1-OE1 2.9Å; W599-E603 PolarHBondContact O-N 2.56Å; T601-E603 PolarHBondContact O-N 3.08Å
604	K	88.7	Confident	87.9	Confident	176 Å²	176	53.5 Å²	53.5	77%	0.765	29%	0.285	S	S	*	.	H	α-helix	trans	-76.9	-39.9	178.8	-69.1	175.7	-175.3	-179.7	0	112.7	S600 T601 Y602	S600-K604 WeakPolarHBondContact O-CG 3.49Å; T601-K604 PolarHBondContact O-N 3.26Å; Y602-K604 VanDerWaalsContact C-N 3.26Å; Y602-K604 PolarHBondContact O-N 3.4Å
605	L	88.8	Confident	87.9	Confident	23 Å²	23	58.7 Å²	58.7	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-107.6	3.4	-168.4	-60.3	-179.7	0	0	0	114.2	T601 Y602 N607 K608 E611 L612 H615	T601-L605 HydrophobicContact CG2-CD1 3.81Å; T601-L605 HydrophobicContact CG2-CG 4.5Å; T601-L605 WeakPolarHBondContact O-CB 3.49Å; T601-L605 PolarHBondContact O-N 2.97Å; Y602-L605 PolarHBondContact O-N 2.94Å; L605-N607 PolarHBondContact O-N 3.06Å; L605-K608 CarbonylContact O-C 3.56Å; L605-K608 WeakPolarHBondContact O-CA 3.32Å; L605-K608 PolarHBondContact O-N 3.1Å; L605-E611 HydrophobicContact CD1-CB 4.43Å; L605-E611 HydrophobicContact CD2-CB 4.27Å; L605-L612 HydrophobicContact CB-CB 4.04Å; L605-L612 HydrophobicContact CB-CD1 3.79Å; L605-H615 HydrophobicContact CD1-CB 4.44Å
606	K	85.2	Confident	87.8	Confident	48 Å²	48	59.2 Å²	59.2	21%	0.209	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.1	-179.5	60.2	176.3	-170.6	146.7	0	115	Y602 K608 E663 V664	Y602-K606 HydrophobicContact CD2-CB 4.2Å; Y602-K606 HydrophobicContact CE2-CB 3.8Å; Y602-K606 WeakPolarHBondContact O-CA 3.08Å; Y602-K606 VanDerWaalsContact O-CB 3.24Å; Y602-K606 WeakPolarHBondContact O-CB 3.45Å; Y602-K606 PolarHBondContact O-N 2.9Å; K606-K608 VanDerWaalsContact C-N 3.31Å; K606-E663 WeakPolarHBondContact CD-OE1 3.06Å; K606-E663 WeakPolarHBondContact CE-OE1 3.43Å; K606-E663 IonicContact NZ-OE1 3.57Å; K606-E663 PolarHBondContact NZ-OE1 3.45Å; K606-E663 CarbonylContact O-C 3.46Å; K606-E663 WeakPolarHBondContact O-CA 3.42Å; K606-V664 PolarHBondContact O-N 3.22Å
607	N	85.8	Confident	87.7	Confident	98 Å²	98	63.4 Å²	63.4	52%	0.524	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.4	177.3	-61.8	-25.2	0	0	0	113	L605 E663	L605-N607 PolarHBondContact O-N 3.06Å; N607-E663 WeakPolarHBondContact OD1-CG 3.34Å; N607-E663 PolarHBondContact OD1-OE1 2.6Å
608	K	85.4	Confident	87.6	Confident	102 Å²	102	66.5 Å²	66.5	44%	0.443	35%	0.353	S	S	.	.			trans	-136.9	77.1	-173.6	-61.4	-167.3	-179.1	-173.8	0	109.9	L605 K606 A610 E611 L612	L605-K608 CarbonylContact O-C 3.56Å; L605-K608 WeakPolarHBondContact O-CA 3.32Å; L605-K608 PolarHBondContact O-N 3.1Å; K606-K608 VanDerWaalsContact C-N 3.31Å; K608-A610 VanDerWaalsContact C-N 3.29Å; K608-A610 PolarHBondContact O-N 2.87Å; K608-E611 HydrophobicContact CB-CB 4.13Å; K608-E611 HydrophobicContact CB-CG 4.43Å; K608-E611 HydrophobicContact CD-CG 4.26Å; K608-E611 WeakPolarHBondContact CD-OE1 3.39Å; K608-E611 WeakPolarHBondContact CD-OE2 3.4Å; K608-E611 WeakPolarHBondContact CE-OE1 3.3Å; K608-E611 IonicContact NZ-OE1 2.89Å; K608-E611 PolarHBondContact NZ-OE1 3.41Å; K608-E611 IonicContact NZ-OE2 2.66Å; K608-E611 PolarHBondContact NZ-OE2 2.87Å; K608-E611 PolarHBondContact O-N 3.06Å; K608-L612 PolarHBondContact O-N 3.48Å
609	T	82.5	Confident	87.6	Confident	24 Å²	24	65.8 Å²	65.8	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-53.5	-43.2	-174.2	-49.4	0	0	0	0	112.9	L612 C613 C658 V664	T609-L612 PolarHBondContact O-N 3.42Å; T609-C613 PolarHBondContact O-N 3.47Å; T609-C613 PolarHBondContact O-SG 3.41Å; T609-C658 HydrophobicContact CG2-CB 3.78Å; T609-V664 HydrophobicContact CG2-CG2 3.92Å; T609-V664 WeakPolarHBondContact OG1-CG2 3.2Å
610	A	84.9	Confident	87.8	Confident	73 Å²	73	65.8 Å²	65.8	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-51.5	179.6	0	0	0	0	0	112.5	K608 L612 C613 E614	K608-A610 VanDerWaalsContact C-N 3.29Å; K608-A610 PolarHBondContact O-N 2.87Å; A610-L612 VanDerWaalsContact C-N 3.28Å; A610-L612 PolarHBondContact O-N 3.42Å; A610-C613 WeakPolarHBondContact O-CB 3.43Å; A610-C613 PolarHBondContact O-N 3.27Å; A610-C613 VanDerWaalsContact O-N 3.15Å; A610-E614 PolarHBondContact O-N 3.36Å; A610-E614 VanDerWaalsContact O-N 3.11Å
611	E	87.4	Confident	88	Confident	73 Å²	73	66.2 Å²	66.2	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-35.3	177.7	-67.8	179.7	-148.4	0	0	111.7	L605 K608 E614 H615	L605-E611 HydrophobicContact CD1-CB 4.43Å; L605-E611 HydrophobicContact CD2-CB 4.27Å; K608-E611 HydrophobicContact CB-CB 4.13Å; K608-E611 HydrophobicContact CB-CG 4.43Å; K608-E611 HydrophobicContact CD-CG 4.26Å; K608-E611 WeakPolarHBondContact CD-OE1 3.39Å; K608-E611 WeakPolarHBondContact CD-OE2 3.4Å; K608-E611 WeakPolarHBondContact CE-OE1 3.3Å; K608-E611 IonicContact NZ-OE1 2.89Å; K608-E611 PolarHBondContact NZ-OE1 3.41Å; K608-E611 IonicContact NZ-OE2 2.66Å; K608-E611 PolarHBondContact NZ-OE2 2.87Å; K608-E611 PolarHBondContact O-N 3.06Å; E611-E614 PolarHBondContact O-N 2.87Å; E611-H615 PolarHBondContact O-N 2.89Å; E611-H615 PolarHBondContact O-ND1 2.95Å
612	L	87.8	Confident	87.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-41.7	175.2	-174.1	72.8	0	0	0	111.7	V597 T601 Y602 L605 K608 T609 A610 E614 H615 A616 L656 V664 L688	V597-L612 HydrophobicContact CB-CD1 4.47Å; V597-L612 HydrophobicContact CG1-CD1 4.17Å; V597-L612 HydrophobicContact CG1-CG 4.45Å; V597-L612 HydrophobicContact CG2-CD1 4.27Å; T601-L612 HydrophobicContact CG2-CD1 4.44Å; Y602-L612 HydrophobicContact CD2-CD2 4.32Å; L605-L612 HydrophobicContact CB-CB 4.04Å; L605-L612 HydrophobicContact CB-CD1 3.79Å; K608-L612 PolarHBondContact O-N 3.48Å; T609-L612 PolarHBondContact O-N 3.42Å; A610-L612 VanDerWaalsContact C-N 3.28Å; A610-L612 PolarHBondContact O-N 3.42Å; L612-E614 VanDerWaalsContact C-N 3.33Å; L612-H615 PolarHBondContact O-N 3.11Å; L612-A616 PolarHBondContact O-N 3.15Å; L612-L656 HydrophobicContact CD2-CD1 4.04Å; L612-V664 HydrophobicContact CD2-CB 4.03Å; L612-V664 HydrophobicContact CD2-CG1 3.83Å; L612-V664 HydrophobicContact CD2-CG2 3.91Å; L612-L688 HydrophobicContact CD2-CD2 3.89Å; L612-L688 HydrophobicContact CG-CD2 4.22Å
613	C	86	Confident	87.6	Confident	42 Å²	42	70 Å²	70	28%	0.284	37%	0.368	S	S	.	.	H	α-helix	trans	-65.2	-34.8	176.8	-69.8	0	0	0	0	112.7	T609 A610 H615 A616 T684	T609-C613 PolarHBondContact O-N 3.47Å; T609-C613 PolarHBondContact O-SG 3.41Å; A610-C613 WeakPolarHBondContact O-CB 3.43Å; A610-C613 PolarHBondContact O-N 3.27Å; A610-C613 VanDerWaalsContact O-N 3.15Å; C613-H615 VanDerWaalsContact C-N 3.27Å; C613-H615 PolarHBondContact O-N 3.07Å; C613-A616 VanDerWaalsContact O-CB 3.28Å; C613-A616 WeakPolarHBondContact O-CB 3.42Å; C613-A616 PolarHBondContact O-N 3.22Å; C613-T684 WeakPolarHBondContact SG-CG2 3.43Å
614	E	87.7	Confident	87.2	Confident	154 Å²	154	64.8 Å²	64.8	72%	0.72	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-32.5	174.9	-70.6	175	176.5	0	0	112.5	A610 E611 L612 A616	A610-E614 PolarHBondContact O-N 3.36Å; A610-E614 VanDerWaalsContact O-N 3.11Å; E611-E614 PolarHBondContact O-N 2.87Å; L612-E614 VanDerWaalsContact C-N 3.33Å; E614-A616 VanDerWaalsContact C-N 3.3Å
615	H	90	Very high	86.4	Confident	109 Å²	109	60 Å²	60	51%	0.505	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.7	176.4	-69.5	75.3	0	0	0	113.4	T601 L605 E611 L612 C613	T601-H615 HydrophobicContact CG2-CB 3.79Å; L605-H615 HydrophobicContact CD1-CB 4.44Å; E611-H615 PolarHBondContact O-N 2.89Å; E611-H615 PolarHBondContact O-ND1 2.95Å; L612-H615 PolarHBondContact O-N 3.11Å; C613-H615 VanDerWaalsContact C-N 3.27Å; C613-H615 PolarHBondContact O-N 3.07Å
616	A	90.1	Very high	85.3	Confident	23 Å²	23	62.2 Å²	62.2	19%	0.19	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-76.6	126.9	-178.5	0	0	0	0	0	111.3	Y596 V597 L612 C613 E614 L688	Y596-A616 WeakPolarHBondContact O-CA 3.49Å; V597-A616 HydrophobicContact CG1-CB 3.94Å; L612-A616 PolarHBondContact O-N 3.15Å; C613-A616 VanDerWaalsContact O-CB 3.28Å; C613-A616 WeakPolarHBondContact O-CB 3.42Å; C613-A616 PolarHBondContact O-N 3.22Å; E614-A616 VanDerWaalsContact C-N 3.3Å; A616-L688 HydrophobicContact CB-CD1 3.41Å; A616-L688 VanDerWaalsContact CB-CD1 3.41Å
617	K	90.2	Very high	84.5	Confident	103 Å²	103	61.9 Å²	61.9	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.7	174.8	-70.4	-172.8	170.2	-162.2	0	110.4	S595 Y596 E646	S595-K617 CarbonylContact C-O 3.57Å; S595-K617 WeakPolarHBondContact CA-O 3.11Å; S595-K617 VanDerWaalsContact CB-O 3.29Å; S595-K617 WeakPolarHBondContact CB-O 3.47Å; Y596-K617 HydrophobicContact CD1-CB 3.95Å; Y596-K617 WeakPolarHBondContact CD1-O 3.39Å; Y596-K617 HydrophobicContact CE1-CB 3.63Å; Y596-K617 HydrophobicContact CE1-CD 4.36Å; Y596-K617 HydrophobicContact CE2-CB 4.41Å; Y596-K617 HydrophobicContact CE2-CD 4.24Å; Y596-K617 PolarHBondContact N-O 3.15Å; Y596-K617 PolarHBondContact O-N 3.13Å; K617-E646 IonicContact NZ-OE2 3.71Å; K617-E646 PolarHBondContact NZ-OE2 3.42Å
618	C	90.3	Very high	84.2	Confident	68 Å²	68	59.1 Å²	59.1	46%	0.459	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.2	176.7	-173.4	0	0	0	0	110.9	K593	K593-C618 WeakPolarHBondContact CE-SG 3.46Å
619	I	89.6	Confident	84	Confident	31 Å²	31	55.3 Å²	55.3	16%	0.159	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-37.2	172.9	-49.2	174	0	0	0	109.8	V594 Y596 M640 L641 D644 I689	V594-I619 HydrophobicContact CG1-CD1 4.36Å; V594-I619 PolarHBondContact O-N 2.97Å; Y596-I619 HydrophobicContact CD1-CD1 3.58Å; Y596-I619 HydrophobicContact CD1-CG1 3.26Å; Y596-I619 HydrophobicContact CE1-CD1 4.37Å; Y596-I619 HydrophobicContact CE1-CG1 3.78Å; Y596-I619 HydrophobicContact CG-CD1 4.16Å; Y596-I619 HydrophobicContact CG-CG1 4.28Å; I619-M640 HydrophobicContact CB-CE 4.17Å; I619-M640 HydrophobicContact CG2-CB 3.8Å; I619-M640 HydrophobicContact CG2-CE 4.14Å; I619-L641 HydrophobicContact CD1-CD2 3.5Å; I619-L641 VanDerWaalsContact CD1-CD2 3.5Å; I619-L641 HydrophobicContact CD1-CG 4.11Å; I619-D644 HydrophobicContact CG2-CB 4.21Å; I619-I689 HydrophobicContact CD1-CD1 3.81Å; I619-I689 HydrophobicContact CD1-CG1 4.44Å
620	G	90.1	Very high	84.1	Confident	21 Å²	21	54.2 Å²	54.2	22%	0.216	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160	-151.8	179.4	0	0	0	0	0	111.6	V594	V594-G620 PolarHBondContact N-O 3.17Å; V594-G620 PolarHBondContact O-N 3.43Å
621	T	90.7	Very high	84.1	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.472	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.3	-174	-58.3	0	0	0	0	110.2	K591 V592	K591-T621 HydrophobicContact CB-CG2 3.52Å; K591-T621 HydrophobicContact CD-CG2 4.34Å; K591-T621 HydrophobicContact CG-CG2 3.87Å; V592-T621 CarbonylContact O-C 3.52Å; V592-T621 VanDerWaalsContact O-CA 3.28Å; V592-T621 WeakPolarHBondContact O-CA 3.31Å
622	I	88	Confident	84	Confident	11 Å²	11	58.7 Å²	58.7	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.4	173.5	-61.8	173.9	0	0	0	108.6	V592 V594 A624 L633 L636 V637 M640	V592-I622 PolarHBondContact N-O 3.06Å; V592-I622 PolarHBondContact O-N 3.16Å; V594-I622 HydrophobicContact CG2-CB 4.47Å; V594-I622 HydrophobicContact CG2-CD1 3.64Å; V594-I622 HydrophobicContact CG2-CG1 3.81Å; I622-A624 HydrophobicContact CG2-CB 4.41Å; I622-A624 PolarHBondContact O-N 3.12Å; I622-L633 HydrophobicContact CG2-CD2 4.16Å; I622-L636 HydrophobicContact CD1-CB 3.81Å; I622-L636 HydrophobicContact CG1-CB 4.43Å; I622-L636 HydrophobicContact CG2-CB 4.47Å; I622-L636 HydrophobicContact CG2-CD1 3.67Å; I622-V637 HydrophobicContact CD1-CG2 3.64Å; I622-M640 HydrophobicContact CD1-SD 3.73Å; I622-M640 HydrophobicContact CG1-SD 3.42Å; I622-M640 WeakPolarHBondContact CG1-SD 3.35Å
623	D	83.3	Confident	84.1	Confident	105 Å²	105	58.7 Å²	58.7	56%	0.561	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	108	164.9	-66.9	-42.8	0	0	0	108.3	K591	K591-D623 VanDerWaalsContact CG-OD1 3.32Å; K591-D623 WeakPolarHBondContact CG-OD1 3.44Å
624	A	78.3	Confident	84.3	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.1	-179.5	0	0	0	0	0	110.7	S589 C590 V592 I622 L633 V677	S589-A624 WeakPolarHBondContact CA-O 3.43Å; C590-A624 PolarHBondContact N-O 3.05Å; C590-A624 PolarHBondContact O-N 3.37Å; C590-A624 PolarHBondContact SG-O 3.31Å; V592-A624 HydrophobicContact CG2-CB 3.71Å; I622-A624 HydrophobicContact CG2-CB 4.41Å; I622-A624 PolarHBondContact O-N 3.12Å; A624-L633 HydrophobicContact CB-CD1 4.17Å; A624-L633 HydrophobicContact CB-CD2 3.99Å; A624-V677 HydrophobicContact CB-CG2 4.29Å
625	E	73.5	Confident	84.4	Confident	75 Å²	75	54.2 Å²	54.2	35%	0.35	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.9	166	-59.1	-171.5	177.9	0	0	109.9	D627 H628	E625-D627 WeakPolarHBondContact CB-OD1 3.46Å; E625-D627 PolarHBondContact O-N 3.29Å; E625-H628 PolarHBondContact N-ND1 2.81Å; E625-H628 PolarHBondContact O-N 3.49Å; E625-H628 VanDerWaalsContact O-N 3.09Å
626	Y	65.7	Low	84.4	Confident	70 Å²	70	52.5 Å²	52.5	28%	0.275	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.9	-177.3	-74.8	-90.8	0	0	0	114.6	P281 C588 C590 T678	P281-Y626 HydrophobicContact CG-CD2 4.16Å; P281-Y626 HydrophobicContact CG-CE2 3.68Å; C588-Y626 HydrophobicContact CB-CD2 3.93Å; C588-Y626 HydrophobicContact CB-CE2 3.93Å; C588-Y626 WeakPolarHBondContact O-CD2 3.11Å; C588-Y626 WeakPolarHBondContact O-CE2 3.36Å; C590-Y626 HydrophobicContact CB-CE2 4.1Å; Y626-T678 HydrophobicContact CD1-CG2 3.51Å; Y626-T678 HydrophobicContact CE1-CG2 4.49Å; Y626-T678 HydrophobicContact CG-CG2 4.23Å; Y626-T678 WeakPolarHBondContact O-CG2 3.43Å; Y626-T678 PolarHBondContact O-OG1 2.93Å
627	D	67.1	Low	84.4	Confident	41 Å²	41	51.4 Å²	51.4	22%	0.219	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	1.1	-176.7	57.2	-37.3	0	0	0	114.8	R284 E625 D629	R284-D627 IonicContact CZ-OD1 2.8Å; R284-D627 IonicContact CZ-OD2 2.98Å; R284-D627 IonicContact NH1-OD1 3.75Å; R284-D627 PolarHBondContact NH1-OD1 3.19Å; R284-D627 IonicContact NH1-OD2 3.84Å; R284-D627 IonicContact NH2-OD1 2.67Å; R284-D627 PolarHBondContact NH2-OD1 2.81Å; R284-D627 IonicContact NH2-OD2 3.79Å; R284-D627 PolarHBondContact NH2-OD2 3.43Å; E625-D627 WeakPolarHBondContact CB-OD1 3.46Å; E625-D627 PolarHBondContact O-N 3.29Å; D627-D629 PolarHBondContact O-N 3.25Å
628	H	80.5	Confident	84.5	Confident	39 Å²	39	49.4 Å²	49.4	18%	0.181	26%	0.257	C	S	.	.			trans	-57.7	129	169.5	-78.1	152.5	0	0	0	109.9	E625 Y632 L633 S676 V677	E625-H628 PolarHBondContact N-ND1 2.81Å; E625-H628 PolarHBondContact O-N 3.49Å; E625-H628 VanDerWaalsContact O-N 3.09Å; H628-Y632 HydrophobicContact CB-CD1 4.11Å; H628-Y632 AromaticContact CD2-CD1 3.59Å; H628-Y632 AromaticContact CD2-CE1 3.68Å; H628-Y632 AromaticContact CE1-CE1 3.57Å; H628-Y632 AromaticContact CG-CD1 3.67Å; H628-Y632 AromaticContact CG-CE1 3.9Å; H628-Y632 AromaticContact ND1-CD1 3.99Å; H628-Y632 AromaticContact ND1-CE1 3.81Å; H628-Y632 AromaticContact NE2-CD1 3.92Å; H628-Y632 AromaticContact NE2-CE1 3.47Å; H628-Y632 WeakPolarHBondContact NE2-CE1 3.34Å; H628-Y632 AromaticContact NE2-CZ 3.99Å; H628-L633 HydrophobicContact CB-CD1 4.25Å; H628-L633 HydrophobicContact CB-CD2 4.1Å; H628-L633 HydrophobicContact CB-CG 4.15Å; H628-S676 WeakPolarHBondContact O-CA 3.18Å; H628-V677 PolarHBondContact O-N 3.04Å
629	D	80.7	Confident	84.4	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.123	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-77.5	157.2	173.1	59.5	50.9	0	0	0	111.2	K252 D627 E631 Y632 L633 T675	K252-D629 IonicContact NZ-OD2 3.4Å; D627-D629 PolarHBondContact O-N 3.25Å; D629-E631 PolarHBondContact O-N 3Å; D629-E631 PolarHBondContact OD1-N 3.44Å; D629-Y632 WeakPolarHBondContact O-CB 3.43Å; D629-Y632 PolarHBondContact O-N 2.85Å; D629-Y632 WeakPolarHBondContact OD1-CB 3.16Å; D629-Y632 PolarHBondContact OD1-N 3.23Å; D629-L633 PolarHBondContact O-N 3.28Å; D629-T675 WeakPolarHBondContact CA-O 3.16Å
630	L	85.4	Confident	84.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-23.2	-176.6	-64	-177.5	0	0	0	112.2	L633 R634 Y655 V667 E672 T675 I680	L630-L633 PolarHBondContact O-N 3.28Å; L630-R634 PolarHBondContact O-N 3.03Å; L630-Y655 HydrophobicContact CB-CD2 3.86Å; L630-Y655 HydrophobicContact CB-CE1 4.47Å; L630-Y655 HydrophobicContact CB-CE2 3.56Å; L630-Y655 HydrophobicContact CB-CG 4.41Å; L630-Y655 HydrophobicContact CD1-CD1 4.29Å; L630-Y655 HydrophobicContact CD1-CD2 3.86Å; L630-Y655 HydrophobicContact CD1-CE2 4.4Å; L630-Y655 HydrophobicContact CD1-CG 3.77Å; L630-Y655 HydrophobicContact CD2-CD1 4.08Å; L630-Y655 HydrophobicContact CD2-CE1 3.99Å; L630-Y655 HydrophobicContact CD2-CG 4.38Å; L630-Y655 HydrophobicContact CG-CD2 4.32Å; L630-Y655 HydrophobicContact CG-CE2 4.37Å; L630-Y655 HydrophobicContact CG-CG 4.4Å; L630-Y655 WeakPolarHBondContact O-CE2 3.42Å; L630-Y655 PolarHBondContact O-OH 2.77Å; L630-V667 HydrophobicContact CD1-CG1 4.26Å; L630-V667 HydrophobicContact CD1-CG2 4.2Å; L630-E672 HydrophobicContact CB-CB 3.86Å; L630-E672 HydrophobicContact CB-CG 4.05Å; L630-E672 PolarHBondContact N-O 3.35Å; L630-E672 VanDerWaalsContact N-O 3.15Å; L630-T675 HydrophobicContact CD1-CG2 3.59Å; L630-T675 HydrophobicContact CG-CG2 4.25Å; L630-T675 WeakPolarHBondContact CG-O 3.44Å; L630-T675 PolarHBondContact N-O 2.88Å; L630-I680 HydrophobicContact CD1-CD1 3.67Å; L630-I680 HydrophobicContact CD1-CG1 4.36Å; L630-I680 HydrophobicContact CD1-CG2 4.33Å; L630-I680 HydrophobicContact CD2-CD1 3.63Å; L630-I680 HydrophobicContact CD2-CG1 4.17Å; L630-I680 HydrophobicContact CG-CD1 4.3Å
631	E	85	Confident	84.2	Confident	108 Å²	108	47.7 Å²	47.7	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-68.1	-43.5	175.8	-177.7	175.9	-133.9	0	0	110.3	D629 L633 R634 P635 E672 V673	D629-E631 PolarHBondContact O-N 3Å; D629-E631 PolarHBondContact OD1-N 3.44Å; E631-L633 VanDerWaalsContact C-N 3.32Å; E631-L633 PolarHBondContact O-N 3.24Å; E631-R634 WeakPolarHBondContact O-CB 3.33Å; E631-R634 PolarHBondContact O-N 3.42Å; E631-P635 WeakPolarHBondContact O-CD 3.23Å; E631-E672 HydrophobicContact CB-CB 4.06Å; E631-V673 HydrophobicContact CB-CB 4.32Å; E631-V673 WeakPolarHBondContact OE2-CB 3.22Å; E631-V673 WeakPolarHBondContact OE2-CG2 3.41Å
632	Y	85.1	Confident	83.9	Confident	132 Å²	132	52 Å²	52	52%	0.518	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-38.5	174.3	178.6	-96.7	0	0	0	112.8	H628 D629 P635	H628-Y632 HydrophobicContact CB-CD1 4.11Å; H628-Y632 AromaticContact CD2-CD1 3.59Å; H628-Y632 AromaticContact CD2-CE1 3.68Å; H628-Y632 AromaticContact CE1-CE1 3.57Å; H628-Y632 AromaticContact CG-CD1 3.67Å; H628-Y632 AromaticContact CG-CE1 3.9Å; H628-Y632 AromaticContact ND1-CD1 3.99Å; H628-Y632 AromaticContact ND1-CE1 3.81Å; H628-Y632 AromaticContact NE2-CD1 3.92Å; H628-Y632 AromaticContact NE2-CE1 3.47Å; H628-Y632 WeakPolarHBondContact NE2-CE1 3.34Å; H628-Y632 AromaticContact NE2-CZ 3.99Å; D629-Y632 WeakPolarHBondContact O-CB 3.43Å; D629-Y632 PolarHBondContact O-N 2.85Å; D629-Y632 WeakPolarHBondContact OD1-CB 3.16Å; D629-Y632 PolarHBondContact OD1-N 3.23Å; Y632-P635 VanDerWaalsContact O-CD 3.28Å; Y632-P635 WeakPolarHBondContact O-CD 3.49Å; Y632-P635 VanDerWaalsContact O-CG 3.29Å; Y632-P635 WeakPolarHBondContact O-CG 3.37Å
633	L	88.6	Confident	83.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-81.9	-19.7	-178.1	-61.2	178.9	0	0	0	114	I622 A624 H628 D629 L630 E631 L636 V637 V677 I687	I622-L633 HydrophobicContact CG2-CD2 4.16Å; A624-L633 HydrophobicContact CB-CD1 4.17Å; A624-L633 HydrophobicContact CB-CD2 3.99Å; H628-L633 HydrophobicContact CB-CD1 4.25Å; H628-L633 HydrophobicContact CB-CD2 4.1Å; H628-L633 HydrophobicContact CB-CG 4.15Å; D629-L633 PolarHBondContact O-N 3.28Å; L630-L633 PolarHBondContact O-N 3.28Å; E631-L633 VanDerWaalsContact C-N 3.32Å; E631-L633 PolarHBondContact O-N 3.24Å; L633-L636 HydrophobicContact CD2-CD1 3.92Å; L633-L636 WeakPolarHBondContact O-CA 3.42Å; L633-L636 WeakPolarHBondContact O-CB 3.28Å; L633-L636 PolarHBondContact O-N 3.39Å; L633-V637 PolarHBondContact O-N 3.36Å; L633-V677 HydrophobicContact CD1-CG2 3.05Å; L633-V677 HydrophobicContact CG-CG2 4.44Å; L633-I687 HydrophobicContact CD1-CD1 3.94Å
634	R	90.5	Very high	83.6	Confident	23 Å²	23	55.7 Å²	55.7	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-52.5	-46.8	-179.3	176.9	166.7	-77.5	-81.3	4.7	113.7	L630 E631 L636 V637 N638 W653 Y655 E672	L630-R634 PolarHBondContact O-N 3.03Å; E631-R634 WeakPolarHBondContact O-CB 3.33Å; E631-R634 PolarHBondContact O-N 3.42Å; R634-L636 VanDerWaalsContact C-N 3.27Å; R634-L636 PolarHBondContact O-N 3.33Å; R634-V637 PolarHBondContact O-N 3.25Å; R634-N638 WeakPolarHBondContact O-CB 3.35Å; R634-N638 PolarHBondContact O-N 3.45Å; R634-N638 PolarHBondContact O-ND2 3.39Å; R634-W653 HydrophobicContact CB-CH2 4.31Å; R634-W653 HydrophobicContact CB-CZ2 4.45Å; R634-W653 HydrophobicContact CG-CH2 4.04Å; R634-W653 HydrophobicContact CG-CZ2 3.78Å; R634-W653 PolarHBondContact NH1-O 3.34Å; R634-W653 PolarHBondContact NH2-O 3.35Å; R634-W653 VanDerWaalsContact NH2-O 3.1Å; R634-Y655 VanDerWaalsContact CA-OH 3.29Å; R634-Y655 WeakPolarHBondContact CA-OH 3.41Å; R634-Y655 PolarHBondContact N-OH 2.85Å; R634-E672 IonicContact CZ-OE1 3.73Å; R634-E672 IonicContact CZ-OE2 3.08Å; R634-E672 IonicContact NE-OE1 2.73Å; R634-E672 PolarHBondContact NE-OE1 3.26Å; R634-E672 IonicContact NE-OE2 2.67Å; R634-E672 PolarHBondContact NE-OE2 2.78Å; R634-E672 IonicContact NH2-OE1 2.58Å; R634-E672 PolarHBondContact NH2-OE1 2.7Å; R634-E672 IonicContact NH2-OE2 3.66Å
635	P	90	Very high	83.4	Confident	80 Å²	80	65.7 Å²	65.7	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-34.1	175.3	22.4	-34.5	0	0	0	113.4	E631 Y632 N638 A639	E631-P635 WeakPolarHBondContact O-CD 3.23Å; Y632-P635 VanDerWaalsContact O-CD 3.28Å; Y632-P635 WeakPolarHBondContact O-CD 3.49Å; Y632-P635 VanDerWaalsContact O-CG 3.29Å; Y632-P635 WeakPolarHBondContact O-CG 3.37Å; P635-N638 PolarHBondContact O-N 2.9Å; P635-A639 PolarHBondContact O-N 2.89Å
636	L	90.4	Very high	83.3	Confident	73 Å²	73	68.2 Å²	68.2	38%	0.382	33%	0.329	S	S	.	.	H	α-helix	trans	-69.1	-44.5	176.9	-58	176.9	0	0	0	111.1	I622 L633 R634 N638 A639 M640	I622-L636 HydrophobicContact CD1-CB 3.81Å; I622-L636 HydrophobicContact CG1-CB 4.43Å; I622-L636 HydrophobicContact CG2-CB 4.47Å; I622-L636 HydrophobicContact CG2-CD1 3.67Å; L633-L636 HydrophobicContact CD2-CD1 3.92Å; L633-L636 WeakPolarHBondContact O-CA 3.42Å; L633-L636 WeakPolarHBondContact O-CB 3.28Å; L633-L636 PolarHBondContact O-N 3.39Å; R634-L636 VanDerWaalsContact C-N 3.27Å; R634-L636 PolarHBondContact O-N 3.33Å; L636-N638 VanDerWaalsContact C-N 3.33Å; L636-N638 PolarHBondContact O-N 3.37Å; L636-A639 PolarHBondContact O-N 3.37Å; L636-M640 WeakPolarHBondContact O-CG 3.34Å; L636-M640 PolarHBondContact O-N 2.99Å; L636-M640 VanDerWaalsContact O-N 3.09Å
637	V	90.5	Very high	83.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-40.8	174.6	178.3	0	0	0	0	111.1	V594 I622 L633 R634 A639 M640 L641 W653 Y655 I689	V594-V637 HydrophobicContact CG1-CG1 4.28Å; V594-V637 HydrophobicContact CG1-CG2 4.29Å; I622-V637 HydrophobicContact CD1-CG2 3.64Å; L633-V637 PolarHBondContact O-N 3.36Å; R634-V637 PolarHBondContact O-N 3.25Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.3Å; V637-M640 PolarHBondContact O-N 3.25Å; V637-L641 HydrophobicContact CG1-CD1 4.18Å; V637-L641 HydrophobicContact CG1-CG 4.49Å; V637-L641 PolarHBondContact O-N 3.02Å; V637-W653 HydrophobicContact CB-CH2 3.74Å; V637-W653 HydrophobicContact CB-CZ2 3.71Å; V637-W653 HydrophobicContact CG1-CH2 3.57Å; V637-W653 HydrophobicContact CG1-CZ2 3.5Å; V637-W653 VanDerWaalsContact CG1-CZ2 3.5Å; V637-W653 HydrophobicContact CG1-CZ3 4.16Å; V637-W653 HydrophobicContact CG2-CH2 4.24Å; V637-Y655 HydrophobicContact CG2-CE1 4.31Å; V637-I689 HydrophobicContact CG1-CD1 3.8Å; V637-I689 HydrophobicContact CG1-CG2 4.48Å
638	N	90.4	Very high	83.3	Confident	60 Å²	60	69.6 Å²	69.6	32%	0.321	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-43.1	175.3	-75.2	-23	0	0	0	111.9	R634 P635 L636 M640 L641 Q642 W653	R634-N638 WeakPolarHBondContact O-CB 3.35Å; R634-N638 PolarHBondContact O-N 3.45Å; R634-N638 PolarHBondContact O-ND2 3.39Å; P635-N638 PolarHBondContact O-N 2.9Å; L636-N638 VanDerWaalsContact C-N 3.33Å; L636-N638 PolarHBondContact O-N 3.37Å; N638-M640 VanDerWaalsContact C-N 3.33Å; N638-M640 PolarHBondContact O-N 2.87Å; N638-L641 PolarHBondContact O-N 2.76Å; N638-Q642 WeakPolarHBondContact O-CG 3.38Å; N638-Q642 PolarHBondContact O-N 3.3Å; N638-Q642 VanDerWaalsContact O-N 3.13Å; N638-W653 WeakPolarHBondContact OD1-CZ2 3.39Å; N638-W653 PolarHBondContact OD1-NE1 3.48Å
639	A	88.6	Confident	82.5	Confident	42 Å²	42	70.5 Å²	70.5	35%	0.347	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-39.3	177.1	0	0	0	0	0	111.9	P635 L636 V637 Q642 Q643	P635-A639 PolarHBondContact O-N 2.89Å; L636-A639 PolarHBondContact O-N 3.37Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.3Å; A639-Q642 PolarHBondContact O-N 3.44Å; A639-Q643 WeakPolarHBondContact O-CG 3.39Å; A639-Q643 PolarHBondContact O-N 3.08Å
640	M	87.6	Confident	82	Confident	28 Å²	28	71 Å²	71	14%	0.138	37%	0.366	C	S	.	.	H	α-helix	trans	-66.8	-43.2	176.1	-65.7	172.8	71.1	0	0	112.4	V594 I619 I622 L636 V637 N638 Q642 Q643 D644	V594-M640 HydrophobicContact CB-CE 4.2Å; V594-M640 HydrophobicContact CG2-CE 4.43Å; V594-M640 HydrophobicContact CG2-SD 4.34Å; I619-M640 HydrophobicContact CB-CE 4.17Å; I619-M640 HydrophobicContact CG2-CB 3.8Å; I619-M640 HydrophobicContact CG2-CE 4.14Å; I622-M640 HydrophobicContact CD1-SD 3.73Å; I622-M640 HydrophobicContact CG1-SD 3.42Å; I622-M640 WeakPolarHBondContact CG1-SD 3.35Å; L636-M640 WeakPolarHBondContact O-CG 3.34Å; L636-M640 PolarHBondContact O-N 2.99Å; L636-M640 VanDerWaalsContact O-N 3.09Å; V637-M640 PolarHBondContact O-N 3.25Å; N638-M640 VanDerWaalsContact C-N 3.33Å; N638-M640 PolarHBondContact O-N 2.87Å; M640-Q642 VanDerWaalsContact C-N 3.27Å; M640-Q642 PolarHBondContact O-N 2.9Å; M640-Q643 PolarHBondContact O-N 3.1Å; M640-Q643 VanDerWaalsContact O-N 3.09Å; M640-D644 PolarHBondContact O-N 3.09Å; M640-D644 VanDerWaalsContact O-N 3.16Å
641	L	87.9	Confident	81.3	Confident	15 Å²	15	75.5 Å²	75.5	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-62.7	-32.9	177.6	-78.8	171.3	0	0	0	113	I619 V637 N638 Q643 A647 W653 I689 L691	I619-L641 HydrophobicContact CD1-CD2 3.5Å; I619-L641 VanDerWaalsContact CD1-CD2 3.5Å; I619-L641 HydrophobicContact CD1-CG 4.11Å; V637-L641 HydrophobicContact CG1-CD1 4.18Å; V637-L641 HydrophobicContact CG1-CG 4.49Å; V637-L641 PolarHBondContact O-N 3.02Å; N638-L641 PolarHBondContact O-N 2.76Å; L641-Q643 VanDerWaalsContact C-N 3.26Å; L641-Q643 PolarHBondContact O-N 3Å; L641-A647 HydrophobicContact CD2-CB 4.17Å; L641-W653 VanDerWaalsContact CD1-CD1 3.48Å; L641-W653 HydrophobicContact CD1-CD2 4.29Å; L641-W653 HydrophobicContact CD1-CG 3.99Å; L641-I689 HydrophobicContact CD1-CD1 3.85Å; L641-I689 HydrophobicContact CD2-CD1 4.13Å; L641-I689 HydrophobicContact CG-CD1 4.25Å; L641-L691 HydrophobicContact CD1-CD2 4.23Å; L641-L691 HydrophobicContact CD2-CD1 4.35Å; L641-L691 HydrophobicContact CD2-CD2 3.91Å
642	Q	84.5	Confident	81.3	Confident	166 Å²	166	72.2 Å²	72.2	78%	0.776	37%	0.373	S	S	*	.	H	α-helix	trans	-70.3	-23.9	175.7	-72.9	175	3.5	0	0	113	N638 A639 M640	N638-Q642 WeakPolarHBondContact O-CG 3.38Å; N638-Q642 PolarHBondContact O-N 3.3Å; N638-Q642 VanDerWaalsContact O-N 3.13Å; A639-Q642 PolarHBondContact O-N 3.44Å; M640-Q642 VanDerWaalsContact C-N 3.27Å; M640-Q642 PolarHBondContact O-N 2.9Å
643	Q	84.5	Confident	81.5	Confident	156 Å²	156	66.2 Å²	66.2	73%	0.729	35%	0.349	S	S	*	.	H	α-helix	trans	-89.7	-22.3	180	-67.3	174.6	8.8	0	0	112.8	A639 M640 L641 K645	A639-Q643 WeakPolarHBondContact O-CG 3.39Å; A639-Q643 PolarHBondContact O-N 3.08Å; M640-Q643 PolarHBondContact O-N 3.1Å; M640-Q643 VanDerWaalsContact O-N 3.09Å; L641-Q643 VanDerWaalsContact C-N 3.26Å; L641-Q643 PolarHBondContact O-N 3Å; Q643-K645 PolarHBondContact O-N 2.84Å
644	D	81.5	Confident	81.5	Confident	39 Å²	39	67.5 Å²	67.5	21%	0.209	36%	0.355	C	S	.	.			trans	-76.6	115.7	178.4	-174	2	0	0	0	111.1	Y596 I619 M640 E646 A647	Y596-D644 WeakPolarHBondContact CE1-OD2 3.38Å; I619-D644 HydrophobicContact CG2-CB 4.21Å; M640-D644 PolarHBondContact O-N 3.09Å; M640-D644 VanDerWaalsContact O-N 3.16Å; D644-E646 VanDerWaalsContact C-N 3.33Å; D644-E646 PolarHBondContact OD1-N 3.38Å; D644-A647 HydrophobicContact CB-CB 3.99Å
645	K	73.5	Confident	81.5	Confident	210 Å²	210	66.4 Å²	66.4	91%	0.913	35%	0.351	S	S	*	.	S	Bend	trans	-74.4	-22.4	178.4	-65.4	-178.2	-178.9	177.5	0	113	Q643	Q643-K645 PolarHBondContact O-N 2.84Å
646	E	71.9	Confident	81.4	Confident	128 Å²	128	62.6 Å²	62.6	60%	0.598	33%	0.326	S	S	*	.	S	Bend	trans	-83.2	-27.1	179.4	-68	-166	-174.6	0	0	112.6	K617 D644 V648	K617-E646 IonicContact NZ-OE2 3.71Å; K617-E646 PolarHBondContact NZ-OE2 3.42Å; D644-E646 VanDerWaalsContact C-N 3.33Å; D644-E646 PolarHBondContact OD1-N 3.38Å; E646-V648 PolarHBondContact O-N 3.38Å; E646-V648 VanDerWaalsContact O-N 3.1Å
647	A	66.3	Low	81	Confident	9 Å²	9	59.4 Å²	59.4	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-73.6	100.3	176.2	0	0	0	0	0	109.5	L641 D644 A649 L691	L641-A647 HydrophobicContact CD2-CB 4.17Å; D644-A647 HydrophobicContact CB-CB 3.99Å; A647-A649 PolarHBondContact O-N 3.28Å; A647-A649 VanDerWaalsContact O-N 3.07Å; A647-L691 HydrophobicContact CB-CD1 4.19Å
648	V	65.5	Low	80.3	Confident	131 Å²	131	59.4 Å²	59.4	79%	0.794	31%	0.309	S	S	*	.			trans	-50.1	120.2	169.4	178.5	0	0	0	0	108.3	E646 P650	E646-V648 PolarHBondContact O-N 3.38Å; E646-V648 VanDerWaalsContact O-N 3.1Å; V648-P650 WeakPolarHBondContact O-CD 3.45Å
649	A	64.3	Low	79.3	Confident	58 Å²	58	59.2 Å²	59.2	48%	0.479	31%	0.312	S	S	.	.			trans	-48.5	99.2	-174.9	0	0	0	0	0	111.3	A647 R694	A647-A649 PolarHBondContact O-N 3.28Å; A647-A649 VanDerWaalsContact O-N 3.07Å; A649-R694 PolarHBondContact O-NE 2.96Å
650	P	69.4	Low	78.2	Confident	33 Å²	33	57.3 Å²	57.3	21%	0.214	30%	0.297	C	S	.	.			trans	-72.1	157	-169.7	30.9	-35.1	0	0	0	109.6	V648 L691 I692	V648-P650 WeakPolarHBondContact O-CD 3.45Å; P650-L691 HydrophobicContact CB-CB 4.17Å; P650-L691 HydrophobicContact CG-CD2 4.25Å; P650-I692 WeakPolarHBondContact CB-O 3.46Å
651	E	71.4	Confident	77	Confident	94 Å²	94	64.2 Å²	64.2	44%	0.439	33%	0.329	S	S	.	.	S	Bend	trans	-71.8	-38.2	170.6	-169	-179.9	177	0	0	110.8	I692 R694 T697	E651-I692 PolarHBondContact N-O 3.25Å; E651-I692 VanDerWaalsContact N-O 3.15Å; E651-R694 HydrophobicContact CB-CG 4.02Å; E651-T697 WeakPolarHBondContact OE1-CG2 3.03Å; E651-T697 PolarHBondContact OE1-OG1 3.24Å; E651-T697 WeakPolarHBondContact OE2-CB 3.04Å; E651-T697 WeakPolarHBondContact OE2-CG2 3.15Å; E651-T697 PolarHBondContact OE2-OG1 3.16Å
652	D	84.2	Confident	76.1	Confident	39 Å²	39	68.9 Å²	68.9	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	170	176.2	-153.9	-11.5	0	0	0	110.4	R669 I692	D652-R669 IonicContact OD1-CZ 2.63Å; D652-R669 IonicContact OD1-NE 3.33Å; D652-R669 IonicContact OD1-NH2 2.98Å; D652-R669 PolarHBondContact OD1-NH2 3.14Å; D652-R669 IonicContact OD2-CZ 2.91Å; D652-R669 IonicContact OD2-NE 3.04Å; D652-R669 IonicContact OD2-NH2 3.94Å; D652-R669 PolarHBondContact OD2-NH2 2.95Å; D652-I692 HydrophobicContact CB-CD1 4.14Å; D652-I692 WeakPolarHBondContact O-CB 3.06Å; D652-I692 WeakPolarHBondContact O-CG1 3.36Å; D652-I692 PolarHBondContact O-N 3.03Å
653	W	89.6	Confident	75.7	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.8	173.8	63.3	-93.1	0	0	0	111.6	R634 V637 N638 L641 Y655 I689 V690 L691	R634-W653 HydrophobicContact CB-CH2 4.31Å; R634-W653 HydrophobicContact CB-CZ2 4.45Å; R634-W653 HydrophobicContact CG-CH2 4.04Å; R634-W653 HydrophobicContact CG-CZ2 3.78Å; R634-W653 PolarHBondContact NH1-O 3.34Å; R634-W653 PolarHBondContact NH2-O 3.35Å; R634-W653 VanDerWaalsContact NH2-O 3.1Å; V637-W653 HydrophobicContact CB-CH2 3.74Å; V637-W653 HydrophobicContact CB-CZ2 3.71Å; V637-W653 HydrophobicContact CG1-CH2 3.57Å; V637-W653 HydrophobicContact CG1-CZ2 3.5Å; V637-W653 VanDerWaalsContact CG1-CZ2 3.5Å; V637-W653 HydrophobicContact CG1-CZ3 4.16Å; V637-W653 HydrophobicContact CG2-CH2 4.24Å; N638-W653 WeakPolarHBondContact OD1-CZ2 3.39Å; N638-W653 PolarHBondContact OD1-NE1 3.48Å; L641-W653 VanDerWaalsContact CD1-CD1 3.48Å; L641-W653 HydrophobicContact CD1-CD2 4.29Å; L641-W653 HydrophobicContact CD1-CG 3.99Å; W653-Y655 HydrophobicContact CH2-CD1 4.45Å; W653-Y655 HydrophobicContact CH2-CD2 4.28Å; W653-Y655 AromaticContact CH2-CE1 3.83Å; W653-Y655 HydrophobicContact CH2-CE1 3.83Å; W653-Y655 AromaticContact CH2-CE2 3.61Å; W653-Y655 HydrophobicContact CH2-CE2 3.61Å; W653-Y655 AromaticContact CH2-CZ 3.39Å; W653-Y655 AromaticContact CZ3-CD1 3.81Å; W653-Y655 HydrophobicContact CZ3-CD1 3.81Å; W653-Y655 AromaticContact CZ3-CD2 3.7Å; W653-Y655 HydrophobicContact CZ3-CD2 3.7Å; W653-Y655 AromaticContact CZ3-CE1 3.64Å; W653-Y655 HydrophobicContact CZ3-CE1 3.64Å; W653-Y655 AromaticContact CZ3-CE2 3.52Å; W653-Y655 HydrophobicContact CZ3-CE2 3.52Å; W653-Y655 AromaticContact CZ3-CG 3.87Å; W653-Y655 HydrophobicContact CZ3-CG 3.87Å; W653-Y655 AromaticContact CZ3-CZ 3.53Å; W653-I689 HydrophobicContact CD2-CD1 4.26Å; W653-I689 HydrophobicContact CE3-CB 3.88Å; W653-I689 HydrophobicContact CE3-CD1 4.2Å; W653-I689 HydrophobicContact CE3-CG2 3.73Å; W653-I689 HydrophobicContact CZ3-CB 4.33Å; W653-I689 HydrophobicContact CZ3-CG2 3.65Å; W653-V690 WeakPolarHBondContact CA-O 3.23Å; W653-V690 VanDerWaalsContact CB-O 3.23Å; W653-V690 WeakPolarHBondContact CB-O 3.45Å; W653-L691 HydrophobicContact CB-CD2 3.82Å; W653-L691 HydrophobicContact CG-CD2 4.47Å
654	F	89.7	Confident	75.5	Confident	26 Å²	26	54.1 Å²	54.1	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147	176.2	-62.8	-71.9	0	0	0	111.1	H666 V667 R669 I689 V690 I692	F654-H666 HydrophobicContact CB-CB 3.76Å; F654-H666 HydrophobicContact CD2-CB 4.49Å; F654-H666 HydrophobicContact CG-CB 4.24Å; F654-V667 WeakPolarHBondContact CD1-O 3.34Å; F654-R669 HydrophobicContact CE1-CG 4.23Å; F654-I689 CarbonylContact O-C 3.58Å; F654-I689 VanDerWaalsContact O-CA 3.28Å; F654-I689 WeakPolarHBondContact O-CA 3.41Å; F654-V690 HydrophobicContact CB-CG1 4.05Å; F654-V690 PolarHBondContact N-O 3.13Å; F654-V690 VanDerWaalsContact N-O 3.14Å; F654-V690 PolarHBondContact O-N 3.43Å; F654-I692 HydrophobicContact CD2-CD1 3.64Å; F654-I692 HydrophobicContact CD2-CG1 4.46Å; F654-I692 HydrophobicContact CE2-CD1 3.31Å; F654-I692 HydrophobicContact CZ-CD1 4.32Å
655	Y	90.2	Very high	75.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	144.7	164.2	-62.9	-80.7	0	0	0	110	L630 R634 V637 W653 H666 V667 E672 I680 I687 I689	L630-Y655 HydrophobicContact CB-CD2 3.86Å; L630-Y655 HydrophobicContact CB-CE1 4.47Å; L630-Y655 HydrophobicContact CB-CE2 3.56Å; L630-Y655 HydrophobicContact CB-CG 4.41Å; L630-Y655 HydrophobicContact CD1-CD1 4.29Å; L630-Y655 HydrophobicContact CD1-CD2 3.86Å; L630-Y655 HydrophobicContact CD1-CE2 4.4Å; L630-Y655 HydrophobicContact CD1-CG 3.77Å; L630-Y655 HydrophobicContact CD2-CD1 4.08Å; L630-Y655 HydrophobicContact CD2-CE1 3.99Å; L630-Y655 HydrophobicContact CD2-CG 4.38Å; L630-Y655 HydrophobicContact CG-CD2 4.32Å; L630-Y655 HydrophobicContact CG-CE2 4.37Å; L630-Y655 HydrophobicContact CG-CG 4.4Å; L630-Y655 WeakPolarHBondContact O-CE2 3.42Å; L630-Y655 PolarHBondContact O-OH 2.77Å; R634-Y655 VanDerWaalsContact CA-OH 3.29Å; R634-Y655 WeakPolarHBondContact CA-OH 3.41Å; R634-Y655 PolarHBondContact N-OH 2.85Å; V637-Y655 HydrophobicContact CG2-CE1 4.31Å; W653-Y655 HydrophobicContact CH2-CD1 4.45Å; W653-Y655 HydrophobicContact CH2-CD2 4.28Å; W653-Y655 AromaticContact CH2-CE1 3.83Å; W653-Y655 HydrophobicContact CH2-CE1 3.83Å; W653-Y655 AromaticContact CH2-CE2 3.61Å; W653-Y655 HydrophobicContact CH2-CE2 3.61Å; W653-Y655 AromaticContact CH2-CZ 3.39Å; W653-Y655 AromaticContact CZ3-CD1 3.81Å; W653-Y655 HydrophobicContact CZ3-CD1 3.81Å; W653-Y655 AromaticContact CZ3-CD2 3.7Å; W653-Y655 HydrophobicContact CZ3-CD2 3.7Å; W653-Y655 AromaticContact CZ3-CE1 3.64Å; W653-Y655 HydrophobicContact CZ3-CE1 3.64Å; W653-Y655 AromaticContact CZ3-CE2 3.52Å; W653-Y655 HydrophobicContact CZ3-CE2 3.52Å; W653-Y655 AromaticContact CZ3-CG 3.87Å; W653-Y655 HydrophobicContact CZ3-CG 3.87Å; W653-Y655 AromaticContact CZ3-CZ 3.53Å; Y655-H666 CarbonylContact O-C 3.23Å; Y655-H666 VanDerWaalsContact O-CA 3.26Å; Y655-H666 WeakPolarHBondContact O-CA 3.35Å; Y655-V667 PolarHBondContact O-N 3.18Å; Y655-E672 HydrophobicContact CD2-CG 3.97Å; Y655-E672 HydrophobicContact CE2-CG 4.14Å; Y655-I680 HydrophobicContact CD1-CD1 4.03Å; Y655-I680 HydrophobicContact CG-CD1 4.3Å; Y655-I687 HydrophobicContact CD1-CG2 3.52Å; Y655-I687 HydrophobicContact CE1-CG2 3.74Å; Y655-I689 HydrophobicContact CD1-CG2 3.81Å; Y655-I689 HydrophobicContact CE1-CG2 4.23Å
656	L	87.3	Confident	75.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.5	170.8	-66.4	-171.7	0	0	0	109.2	V597 Y602 L612 V664 Y665 H666 L688 V690	V597-L656 HydrophobicContact CG2-CD1 3.66Å; Y602-L656 HydrophobicContact CD2-CD1 3.7Å; Y602-L656 HydrophobicContact CD2-CD2 3.82Å; Y602-L656 HydrophobicContact CD2-CG 4.46Å; Y602-L656 HydrophobicContact CE2-CD1 4.16Å; Y602-L656 HydrophobicContact CE2-CD2 3.59Å; Y602-L656 HydrophobicContact CG-CD1 4.46Å; Y602-L656 HydrophobicContact CG-CD2 4.46Å; L612-L656 HydrophobicContact CD2-CD1 4.04Å; L656-V664 HydrophobicContact CB-CG1 3.88Å; L656-V664 HydrophobicContact CD1-CG1 4.12Å; L656-V664 HydrophobicContact CD2-CG1 4.4Å; L656-V664 HydrophobicContact CG-CG1 4.37Å; L656-Y665 CarbonylContact C-O 3.42Å; L656-Y665 WeakPolarHBondContact CA-O 3.45Å; L656-H666 HydrophobicContact CD2-CB 4.11Å; L656-L688 HydrophobicContact CB-CB 4.19Å; L656-L688 HydrophobicContact CB-CD2 4.22Å; L656-L688 HydrophobicContact CB-CG 4.22Å; L656-L688 HydrophobicContact CD1-CD2 3.66Å; L656-L688 HydrophobicContact CD1-CG 3.9Å; L656-L688 HydrophobicContact CG-CG 4.46Å; L656-L688 PolarHBondContact N-O 3.35Å; L656-V690 HydrophobicContact CD1-CB 4.11Å; L656-V690 HydrophobicContact CD2-CB 3.94Å; L656-V690 HydrophobicContact CD2-CG1 3.64Å; L656-V690 HydrophobicContact CG-CB 4.06Å; L656-V690 HydrophobicContact CG-CG1 4.19Å
657	D	82.2	Confident	76.2	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.6	166.9	-173.4	-4.7	0	0	0	110.3	R178 S659 Y665 V667 I680	R178-D657 IonicContact CZ-OD2 3.59Å; R178-D657 IonicContact NH1-OD2 2.74Å; R178-D657 PolarHBondContact NH1-OD2 2.78Å; R178-D657 VanDerWaalsContact NH2-CB 3.26Å; R178-D657 VanDerWaalsContact NH2-CG 3.29Å; R178-D657 IonicContact NH2-OD2 4Å; R178-D657 PolarHBondContact NH2-OD2 3.22Å; D657-S659 WeakPolarHBondContact OD1-CA 3.37Å; D657-S659 WeakPolarHBondContact OD1-CB 3.33Å; D657-S659 PolarHBondContact OD1-N 3.15Å; D657-S659 PolarHBondContact OD1-OG 3.06Å; D657-S659 PolarHBondContact OD2-OG 2.82Å; D657-Y665 PolarHBondContact N-O 3.31Å; D657-Y665 PolarHBondContact O-N 2.75Å; D657-V667 HydrophobicContact CB-CG2 4.13Å; D657-I680 HydrophobicContact CB-CB 4.27Å; D657-I680 HydrophobicContact CB-CG2 3.6Å
658	C	76.8	Confident	76.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.			trans	-100.1	1.5	179.3	-58	0	0	0	0	113.3	T609 G660 V664 L683 T684	T609-C658 HydrophobicContact CG2-CB 3.78Å; C658-G660 PolarHBondContact O-N 3.22Å; C658-G660 VanDerWaalsContact O-N 3.08Å; C658-V664 HydrophobicContact CB-CG2 4.45Å; C658-V664 VanDerWaalsContact SG-CG1 3.57Å; C658-L683 HydrophobicContact CB-CB 4.43Å; C658-L683 WeakPolarHBondContact O-CD1 3.47Å; C658-T684 HydrophobicContact CB-CG2 3.66Å; C658-T684 VanDerWaalsContact SG-CG2 3.5Å
659	S	68.1	Low	76.9	Confident	56 Å²	56	39.2 Å²	39.2	39%	0.392	20%	0.203	S	C	.	.			trans	-57.4	-18.7	-179	64	0	0	0	0	115	D657	D657-S659 WeakPolarHBondContact OD1-CA 3.37Å; D657-S659 WeakPolarHBondContact OD1-CB 3.33Å; D657-S659 PolarHBondContact OD1-N 3.15Å; D657-S659 PolarHBondContact OD1-OG 3.06Å; D657-S659 PolarHBondContact OD2-OG 2.82Å
660	G	65.4	Low	77.1	Confident	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-79	141.7	176.3	0	0	0	0	0	112.6	C658	C658-G660 PolarHBondContact O-N 3.22Å; C658-G660 VanDerWaalsContact O-N 3.08Å
661	Q	62.3	Low	77.2	Confident	173 Å²	173	38.7 Å²	38.7	81%	0.808	19%	0.193	S	C	*	.	S	Bend	trans	-69.7	-30.1	173.7	-71.9	-177	-25.8	0	0	113.4
662	D	69.1	Low	77.7	Confident	114 Å²	114	34.4 Å²	34.4	61%	0.61	17%	0.172	S	C	*	.	S	Bend	trans	-103.7	-30.3	-167.1	-49.5	-55.4	0	0	0	114.8
663	E	76.2	Confident	77.2	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.056	17%	0.169	C	C	.	.			trans	-156.4	142.6	-172.1	-172.7	172.2	-156.4	0	0	110.7	A174 K606 N607 Y665	A174-E663 VanDerWaalsContact CB-CD 3.41Å; A174-E663 HydrophobicContact CB-CG 4.22Å; A174-E663 WeakPolarHBondContact CB-OE1 3.31Å; K606-E663 WeakPolarHBondContact CD-OE1 3.06Å; K606-E663 WeakPolarHBondContact CE-OE1 3.43Å; K606-E663 IonicContact NZ-OE1 3.57Å; K606-E663 PolarHBondContact NZ-OE1 3.45Å; K606-E663 CarbonylContact O-C 3.46Å; K606-E663 WeakPolarHBondContact O-CA 3.42Å; N607-E663 WeakPolarHBondContact OD1-CG 3.34Å; N607-E663 PolarHBondContact OD1-OE1 2.6Å; E663-Y665 HydrophobicContact CB-CE1 4.18Å; E663-Y665 HydrophobicContact CB-CE2 4.43Å; E663-Y665 HydrophobicContact CG-CD1 4.48Å; E663-Y665 HydrophobicContact CG-CE1 4.09Å; E663-Y665 VanDerWaalsContact O-CD2 3.26Å; E663-Y665 WeakPolarHBondContact O-CD2 3.43Å; E663-Y665 WeakPolarHBondContact O-CE2 3.31Å
664	V	81.4	Confident	76.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.			trans	-92	132	174.6	-178.9	0	0	0	0	109.6	Y602 K606 T609 L612 L656 C658	Y602-V664 HydrophobicContact CE2-CB 4.32Å; Y602-V664 HydrophobicContact CE2-CG1 4.1Å; Y602-V664 WeakPolarHBondContact CE2-O 3.34Å; Y602-V664 PolarHBondContact OH-O 3.28Å; K606-V664 PolarHBondContact O-N 3.22Å; T609-V664 HydrophobicContact CG2-CG2 3.92Å; T609-V664 WeakPolarHBondContact OG1-CG2 3.2Å; L612-V664 HydrophobicContact CD2-CB 4.03Å; L612-V664 HydrophobicContact CD2-CG1 3.83Å; L612-V664 HydrophobicContact CD2-CG2 3.91Å; L656-V664 HydrophobicContact CB-CG1 3.88Å; L656-V664 HydrophobicContact CD1-CG1 4.12Å; L656-V664 HydrophobicContact CD2-CG1 4.4Å; L656-V664 HydrophobicContact CG-CG1 4.37Å; C658-V664 HydrophobicContact CB-CG2 4.45Å; C658-V664 VanDerWaalsContact SG-CG1 3.57Å
665	Y	80	Confident	75.4	Confident	15 Å²	15	34 Å²	34	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.2	-172.4	-55.3	-79.4	0	0	0	111.7	A174 R177 R178 L656 D657 E663	A174-Y665 HydrophobicContact CB-CD1 3.68Å; A174-Y665 HydrophobicContact CB-CE1 3.94Å; A174-Y665 WeakPolarHBondContact O-CD1 3.22Å; A174-Y665 WeakPolarHBondContact O-CE1 3.28Å; R177-Y665 HydrophobicContact CB-CE1 4.42Å; R178-Y665 HydrophobicContact CB-CD1 3.54Å; R178-Y665 HydrophobicContact CB-CD2 3.9Å; R178-Y665 HydrophobicContact CB-CE1 3.79Å; R178-Y665 HydrophobicContact CB-CE2 4.14Å; R178-Y665 HydrophobicContact CB-CG 3.58Å; R178-Y665 VanDerWaalsContact CD-CB 3.42Å; R178-Y665 HydrophobicContact CG-CD1 4.49Å; R178-Y665 HydrophobicContact CG-CD2 4.14Å; R178-Y665 HydrophobicContact CG-CG 4.05Å; L656-Y665 CarbonylContact C-O 3.42Å; L656-Y665 WeakPolarHBondContact CA-O 3.45Å; D657-Y665 PolarHBondContact N-O 3.31Å; D657-Y665 PolarHBondContact O-N 2.75Å; E663-Y665 HydrophobicContact CB-CE1 4.18Å; E663-Y665 HydrophobicContact CB-CE2 4.43Å; E663-Y665 HydrophobicContact CG-CD1 4.48Å; E663-Y665 HydrophobicContact CG-CE1 4.09Å; E663-Y665 VanDerWaalsContact O-CD2 3.26Å; E663-Y665 WeakPolarHBondContact O-CD2 3.43Å; E663-Y665 WeakPolarHBondContact O-CE2 3.31Å
666	H	82.6	Confident	74.7	Confident	9 Å²	9	34.3 Å²	34.3	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.2	165.5	60.6	-105	0	0	0	111.6	F170 S175 F654 Y655 L656	F170-H666 PolarHBondContact O-CE1 3.44Å; F170-H666 VanDerWaalsContact O-CE1 3.32Å; S175-H666 VanDerWaalsContact CB-NE2 3.3Å; S175-H666 WeakPolarHBondContact CB-NE2 3.49Å; F654-H666 HydrophobicContact CB-CB 3.76Å; F654-H666 HydrophobicContact CD2-CB 4.49Å; F654-H666 HydrophobicContact CG-CB 4.24Å; Y655-H666 CarbonylContact O-C 3.23Å; Y655-H666 VanDerWaalsContact O-CA 3.26Å; Y655-H666 WeakPolarHBondContact O-CA 3.35Å; L656-H666 HydrophobicContact CD2-CB 4.11Å
667	V	78.2	Confident	74.2	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-84.9	121.8	171	-173.8	0	0	0	0	108.1	L630 F654 Y655 D657 E672 I680	L630-V667 HydrophobicContact CD1-CG1 4.26Å; L630-V667 HydrophobicContact CD1-CG2 4.2Å; F654-V667 WeakPolarHBondContact CD1-O 3.34Å; Y655-V667 PolarHBondContact O-N 3.18Å; D657-V667 HydrophobicContact CB-CG2 4.13Å; V667-E672 HydrophobicContact CG1-CG 4.11Å; V667-I680 HydrophobicContact CG2-CG2 4.3Å
668	D	72.6	Confident	73.6	Confident	53 Å²	53	35.8 Å²	35.8	28%	0.283	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-67.2	141.9	172.9	-174.8	-59.9	0	0	0	110	R179 S670 Y671	R179-D668 IonicContact CZ-OD2 3.55Å; R179-D668 IonicContact NH2-OD2 3.31Å; R179-D668 PolarHBondContact NH2-OD2 2.97Å; D668-S670 PolarHBondContact O-N 3.22Å; D668-S670 VanDerWaalsContact O-N 3.1Å; D668-S670 PolarHBondContact OD1-N 3.27Å; D668-S670 PolarHBondContact OD1-OG 3.2Å; D668-Y671 HydrophobicContact CB-CD2 4.01Å; D668-Y671 PolarHBondContact O-N 3.39Å
669	R	74.9	Confident	73.3	Confident	126 Å²	126	36.8 Å²	36.8	48%	0.475	19%	0.188	S	C	.	.	H	α-helix	trans	-52	-36.8	-179	-74.9	-166.3	-175	-169.5	5.3	113.2	D652 F654 Y671 E672	D652-R669 IonicContact OD1-CZ 2.63Å; D652-R669 IonicContact OD1-NE 3.33Å; D652-R669 IonicContact OD1-NH2 2.98Å; D652-R669 PolarHBondContact OD1-NH2 3.14Å; D652-R669 IonicContact OD2-CZ 2.91Å; D652-R669 IonicContact OD2-NE 3.04Å; D652-R669 IonicContact OD2-NH2 3.94Å; D652-R669 PolarHBondContact OD2-NH2 2.95Å; F654-R669 HydrophobicContact CE1-CG 4.23Å; R669-Y671 PolarHBondContact O-N 2.98Å; R669-E672 WeakPolarHBondContact CA-OE1 3.48Å; R669-E672 PolarHBondContact O-N 2.74Å
670	S	67.8	Low	73.7	Confident	51 Å²	51	34.2 Å²	34.2	36%	0.357	17%	0.17	S	C	.	.	H	α-helix	trans	-69	-13.2	179.7	76.2	0	0	0	0	113.8	D668 F674	D668-S670 PolarHBondContact O-N 3.22Å; D668-S670 VanDerWaalsContact O-N 3.1Å; D668-S670 PolarHBondContact OD1-N 3.27Å; D668-S670 PolarHBondContact OD1-OG 3.2Å; S670-F674 WeakPolarHBondContact O-CE2 3.43Å
671	Y	72.1	Confident	73.8	Confident	29 Å²	29	34.6 Å²	34.6	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-101.9	-6.3	179.4	-76.2	-95.3	0	0	0	113.6	I158 P159 D668 R669 V673 F674 T675	I158-Y671 HydrophobicContact CG2-CD1 4.29Å; I158-Y671 HydrophobicContact CG2-CE1 3.63Å; P159-Y671 PolarHBondContact O-OH 3.18Å; D668-Y671 HydrophobicContact CB-CD2 4.01Å; D668-Y671 PolarHBondContact O-N 3.39Å; R669-Y671 PolarHBondContact O-N 2.98Å; Y671-V673 VanDerWaalsContact C-N 3.3Å; Y671-V673 PolarHBondContact O-N 3.28Å; Y671-F674 HydrophobicContact CD1-CD2 4.17Å; Y671-F674 CarbonylContact O-C 3.55Å; Y671-F674 WeakPolarHBondContact O-CA 3.31Å; Y671-F674 PolarHBondContact O-N 3.11Å; Y671-T675 PolarHBondContact O-N 3.07Å; Y671-T675 PolarHBondContact O-OG1 2.77Å
672	E	80.5	Confident	73.9	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-39.9	-178.9	-72	176.9	-160.2	0	0	112.1	L630 E631 R634 Y655 V667 R669 F674 T675	L630-E672 HydrophobicContact CB-CB 3.86Å; L630-E672 HydrophobicContact CB-CG 4.05Å; L630-E672 PolarHBondContact N-O 3.35Å; L630-E672 VanDerWaalsContact N-O 3.15Å; E631-E672 HydrophobicContact CB-CB 4.06Å; R634-E672 IonicContact CZ-OE1 3.73Å; R634-E672 IonicContact CZ-OE2 3.08Å; R634-E672 IonicContact NE-OE1 2.73Å; R634-E672 PolarHBondContact NE-OE1 3.26Å; R634-E672 IonicContact NE-OE2 2.67Å; R634-E672 PolarHBondContact NE-OE2 2.78Å; R634-E672 IonicContact NH2-OE1 2.58Å; R634-E672 PolarHBondContact NH2-OE1 2.7Å; R634-E672 IonicContact NH2-OE2 3.66Å; Y655-E672 HydrophobicContact CD2-CG 3.97Å; Y655-E672 HydrophobicContact CE2-CG 4.14Å; V667-E672 HydrophobicContact CG1-CG 4.11Å; R669-E672 WeakPolarHBondContact CA-OE1 3.48Å; R669-E672 PolarHBondContact O-N 2.74Å; E672-F674 PolarHBondContact O-N 3.4Å; E672-F674 VanDerWaalsContact O-N 3.12Å; E672-T675 PolarHBondContact O-N 3.39Å
673	V	73.8	Confident	73.6	Confident	22 Å²	22	31.2 Å²	31.2	13%	0.133	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.1	173.7	65.7	0	0	0	0	113.2	K252 E631 Y671	K252-V673 PolarHBondContact NZ-O 3.09Å; E631-V673 HydrophobicContact CB-CB 4.32Å; E631-V673 WeakPolarHBondContact OE2-CB 3.22Å; E631-V673 WeakPolarHBondContact OE2-CG2 3.41Å; Y671-V673 VanDerWaalsContact C-N 3.3Å; Y671-V673 PolarHBondContact O-N 3.28Å
674	F	67.2	Low	73.1	Confident	31 Å²	31	32.4 Å²	32.4	14%	0.136	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-4.9	-179.5	-46.4	-52.3	0	0	0	113.8	P159 F189 S670 Y671 E672	P159-F674 HydrophobicContact CG-CE2 4.29Å; F189-F674 AromaticContact CD1-CD1 3.67Å; F189-F674 HydrophobicContact CD1-CD1 3.67Å; F189-F674 HydrophobicContact CD1-CE1 4.14Å; F189-F674 HydrophobicContact CD1-CG 4.38Å; F189-F674 AromaticContact CE1-CD1 3.11Å; F189-F674 HydrophobicContact CE1-CD1 3.11Å; F189-F674 AromaticContact CE1-CE1 3.14Å; F189-F674 HydrophobicContact CE1-CE1 3.14Å; F189-F674 HydrophobicContact CE1-CG 4.11Å; F189-F674 HydrophobicContact CE1-CZ 4.13Å; F189-F674 HydrophobicContact CE2-CD1 4.08Å; F189-F674 HydrophobicContact CE2-CE1 4.22Å; F189-F674 HydrophobicContact CG-CD1 4.35Å; F189-F674 AromaticContact CZ-CD1 3.36Å; F189-F674 HydrophobicContact CZ-CD1 3.36Å; F189-F674 AromaticContact CZ-CE1 3.2Å; F189-F674 HydrophobicContact CZ-CE1 3.2Å; F189-F674 HydrophobicContact CZ-CZ 4.39Å; S670-F674 WeakPolarHBondContact O-CE2 3.43Å; Y671-F674 HydrophobicContact CD1-CD2 4.17Å; Y671-F674 CarbonylContact O-C 3.55Å; Y671-F674 WeakPolarHBondContact O-CA 3.31Å; Y671-F674 PolarHBondContact O-N 3.11Å; E672-F674 PolarHBondContact O-N 3.4Å; E672-F674 VanDerWaalsContact O-N 3.12Å
675	T	75	Confident	72.5	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.067	20%	0.198	C	C	.	.			trans	-112.1	128.1	-176.7	-49.6	0	0	0	0	108	D629 L630 Y671 E672 D679 I680	D629-T675 WeakPolarHBondContact CA-O 3.16Å; L630-T675 HydrophobicContact CD1-CG2 3.59Å; L630-T675 HydrophobicContact CG-CG2 4.25Å; L630-T675 WeakPolarHBondContact CG-O 3.44Å; L630-T675 PolarHBondContact N-O 2.88Å; Y671-T675 PolarHBondContact O-N 3.07Å; Y671-T675 PolarHBondContact O-OG1 2.77Å; E672-T675 PolarHBondContact O-N 3.39Å; T675-D679 HydrophobicContact CG2-CB 3.83Å; T675-I680 HydrophobicContact CG2-CG2 3.57Å
676	S	75.8	Confident	72.5	Confident	6 Å²	6	35.2 Å²	35.2	4%	0.042	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-91.7	166.5	174.7	63.7	0	0	0	0	111.6	H628 T678 D679	H628-S676 WeakPolarHBondContact O-CA 3.18Å; S676-T678 PolarHBondContact O-N 3.35Å; S676-T678 PolarHBondContact OG-N 3.48Å; S676-T678 PolarHBondContact OG-OG1 3.1Å; S676-D679 PolarHBondContact N-OD2 2.93Å; S676-D679 WeakPolarHBondContact O-CB 3.35Å; S676-D679 PolarHBondContact O-N 3.4Å; S676-D679 VanDerWaalsContact O-N 3.13Å; S676-D679 PolarHBondContact OG-N 2.91Å; S676-D679 PolarHBondContact OG-OD1 3.35Å; S676-D679 PolarHBondContact OG-OD2 2.89Å
677	V	76.3	Confident	72.6	Confident	9 Å²	9	34.8 Å²	34.8	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-53.8	-43	167.7	-179.6	0	0	0	0	111.7	V592 A624 H628 L633 D679 I680 G681 I687	V592-V677 HydrophobicContact CB-CG1 4.4Å; V592-V677 HydrophobicContact CG1-CG1 3.66Å; V592-V677 HydrophobicContact CG2-CG1 3.79Å; A624-V677 HydrophobicContact CB-CG2 4.29Å; H628-V677 PolarHBondContact O-N 3.04Å; L633-V677 HydrophobicContact CD1-CG2 3.05Å; L633-V677 HydrophobicContact CG-CG2 4.44Å; V677-D679 PolarHBondContact O-N 3.28Å; V677-I680 PolarHBondContact O-N 3.48Å; V677-G681 PolarHBondContact O-N 2.83Å; V677-I687 HydrophobicContact CG1-CD1 4.19Å; V677-I687 HydrophobicContact CG1-CG1 4.08Å; V677-I687 HydrophobicContact CG2-CD1 4.09Å
678	T	70.4	Confident	73	Confident	28 Å²	28	35 Å²	35	17%	0.172	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-30.5	-179.9	34.4	0	0	0	0	113	R251 Y626 S676 I680	R251-T678 PolarHBondContact NE-OG1 3.35Å; R251-T678 PolarHBondContact NH2-OG1 3.01Å; Y626-T678 HydrophobicContact CD1-CG2 3.51Å; Y626-T678 HydrophobicContact CE1-CG2 4.49Å; Y626-T678 HydrophobicContact CG-CG2 4.23Å; Y626-T678 WeakPolarHBondContact O-CG2 3.43Å; Y626-T678 PolarHBondContact O-OG1 2.93Å; S676-T678 PolarHBondContact O-N 3.35Å; S676-T678 PolarHBondContact OG-N 3.48Å; S676-T678 PolarHBondContact OG-OG1 3.1Å; T678-I680 VanDerWaalsContact C-N 3.34Å; T678-I680 PolarHBondContact O-N 3.41Å
679	D	70.6	Confident	73.7	Confident	21 Å²	21	32.5 Å²	32.5	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-33.3	179.7	-66.2	-30.7	0	0	0	112.8	R186 T675 S676 V677	R186-D679 IonicContact CZ-OD1 3.34Å; R186-D679 VanDerWaalsContact CZ-OD1 3.25Å; R186-D679 IonicContact CZ-OD2 2.71Å; R186-D679 IonicContact NH1-OD1 3.75Å; R186-D679 PolarHBondContact NH1-OD1 3.12Å; R186-D679 IonicContact NH1-OD2 2.78Å; R186-D679 PolarHBondContact NH1-OD2 3.09Å; R186-D679 IonicContact NH2-OD1 3.54Å; R186-D679 PolarHBondContact NH2-OD1 3Å; T675-D679 HydrophobicContact CG2-CB 3.83Å; S676-D679 PolarHBondContact N-OD2 2.93Å; S676-D679 WeakPolarHBondContact O-CB 3.35Å; S676-D679 PolarHBondContact O-N 3.4Å; S676-D679 VanDerWaalsContact O-N 3.13Å; S676-D679 PolarHBondContact OG-N 2.91Å; S676-D679 PolarHBondContact OG-OD1 3.35Å; S676-D679 PolarHBondContact OG-OD2 2.89Å; V677-D679 PolarHBondContact O-N 3.28Å
680	I	75	Confident	74.3	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-110.9	-24.1	-171.8	66.6	163	0	0	0	114.1	L630 Y655 D657 V667 T675 V677 T678 I687	L630-I680 HydrophobicContact CD1-CD1 3.67Å; L630-I680 HydrophobicContact CD1-CG1 4.36Å; L630-I680 HydrophobicContact CD1-CG2 4.33Å; L630-I680 HydrophobicContact CD2-CD1 3.63Å; L630-I680 HydrophobicContact CD2-CG1 4.17Å; L630-I680 HydrophobicContact CG-CD1 4.3Å; Y655-I680 HydrophobicContact CD1-CD1 4.03Å; Y655-I680 HydrophobicContact CG-CD1 4.3Å; D657-I680 HydrophobicContact CB-CB 4.27Å; D657-I680 HydrophobicContact CB-CG2 3.6Å; V667-I680 HydrophobicContact CG2-CG2 4.3Å; T675-I680 HydrophobicContact CG2-CG2 3.57Å; V677-I680 PolarHBondContact O-N 3.48Å; T678-I680 VanDerWaalsContact C-N 3.34Å; T678-I680 PolarHBondContact O-N 3.41Å; I680-I687 HydrophobicContact CD1-CG1 4.36Å; I680-I687 HydrophobicContact CD1-CG2 4.19Å
681	G	68.1	Low	75.1	Confident	10 Å²	10	24.8 Å²	24.8	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-88.5	-5.5	-171.5	0	0	0	0	0	115.2	V677 T684 G685 G686	V677-G681 PolarHBondContact O-N 2.83Å; G681-T684 PolarHBondContact O-OG1 3.31Å; G681-G685 PolarHBondContact O-N 2.86Å; G681-G686 VanDerWaalsContact CA-O 3.29Å; G681-G686 WeakPolarHBondContact CA-O 3.43Å; G681-G686 PolarHBondContact O-N 3Å; G681-G686 VanDerWaalsContact O-N 3.16Å
682	E	63.7	Low	75.5	Confident	108 Å²	108	23.8 Å²	23.8	51%	0.505	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-46.4	-169	-169.5	-178.5	172.1	0	0	113.6	K279	K279-E682 WeakPolarHBondContact CD-OE1 3.39Å; K279-E682 VanDerWaalsContact CE-OE1 3.29Å; K279-E682 WeakPolarHBondContact CE-OE1 3.3Å; K279-E682 IonicContact NZ-OE1 2.62Å; K279-E682 PolarHBondContact NZ-OE1 2.78Å
683	L	64.2	Low	75.2	Confident	109 Å²	109	26.9 Å²	26.9	57%	0.571	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.5	-177	-86.9	154.6	0	0	0	113.5	C658	C658-L683 HydrophobicContact CB-CB 4.43Å; C658-L683 WeakPolarHBondContact O-CD1 3.47Å
684	T	64.6	Low	74.8	Confident	37 Å²	37	34 Å²	34	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-9.6	-173.4	48.2	0	0	0	0	112.9	C613 C658 G681 G686	C613-T684 WeakPolarHBondContact SG-CG2 3.43Å; C658-T684 HydrophobicContact CB-CG2 3.66Å; C658-T684 VanDerWaalsContact SG-CG2 3.5Å; G681-T684 PolarHBondContact O-OG1 3.31Å; T684-G686 PolarHBondContact O-N 3.4Å; T684-G686 PolarHBondContact OG1-O 3.16Å
685	G	69.4	Low	74.3	Confident	65 Å²	65	40.3 Å²	40.3	67%	0.67	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	18.8	-172.8	0	0	0	0	0	113.6	G681	G681-G685 PolarHBondContact O-N 2.86Å
686	G	79.1	Confident	73	Confident	8 Å²	8	41 Å²	41	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	175.6	-173.8	0	0	0	0	0	113.5	K593 G681 T684	K593-G686 CarbonylContact O-C 3.52Å; K593-G686 VanDerWaalsContact O-C 3.29Å; K593-G686 WeakPolarHBondContact O-CA 3.45Å; G681-G686 VanDerWaalsContact CA-O 3.29Å; G681-G686 WeakPolarHBondContact CA-O 3.43Å; G681-G686 PolarHBondContact O-N 3Å; G681-G686 VanDerWaalsContact O-N 3.16Å; T684-G686 PolarHBondContact O-N 3.4Å; T684-G686 PolarHBondContact OG1-O 3.16Å
687	I	85.2	Confident	71.5	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.4	176	-66.9	165.5	0	0	0	109.8	V592 K593 V594 S595 L633 Y655 V677 I680 I689	V592-I687 HydrophobicContact CG1-CB 4.32Å; V592-I687 HydrophobicContact CG1-CD1 3.65Å; V592-I687 HydrophobicContact CG1-CG1 3.6Å; K593-I687 PolarHBondContact O-N 3.12Å; V594-I687 CarbonylContact C-O 3.48Å; V594-I687 WeakPolarHBondContact CA-O 3.34Å; V594-I687 HydrophobicContact CG1-CG2 4.41Å; V594-I687 HydrophobicContact CG2-CB 4.37Å; S595-I687 PolarHBondContact N-O 3.4Å; L633-I687 HydrophobicContact CD1-CD1 3.94Å; Y655-I687 HydrophobicContact CD1-CG2 3.52Å; Y655-I687 HydrophobicContact CE1-CG2 3.74Å; V677-I687 HydrophobicContact CG1-CD1 4.19Å; V677-I687 HydrophobicContact CG1-CG1 4.08Å; V677-I687 HydrophobicContact CG2-CD1 4.09Å; I680-I687 HydrophobicContact CD1-CG1 4.36Å; I680-I687 HydrophobicContact CD1-CG2 4.19Å; I687-I689 HydrophobicContact CG2-CG2 3.94Å
688	L	86.1	Confident	69.5	Low	5 Å²	5	47.8 Å²	47.8	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.8	169.3	-171.1	66.6	0	0	0	109.5	S595 V597 L612 A616 L656	S595-L688 CarbonylContact O-C 3.38Å; S595-L688 WeakPolarHBondContact O-CA 3.27Å; V597-L688 HydrophobicContact CG1-CD1 4.18Å; L612-L688 HydrophobicContact CD2-CD2 3.89Å; L612-L688 HydrophobicContact CG-CD2 4.22Å; A616-L688 HydrophobicContact CB-CD1 3.41Å; A616-L688 VanDerWaalsContact CB-CD1 3.41Å; L656-L688 HydrophobicContact CB-CB 4.19Å; L656-L688 HydrophobicContact CB-CD2 4.22Å; L656-L688 HydrophobicContact CB-CG 4.22Å; L656-L688 HydrophobicContact CD1-CD2 3.66Å; L656-L688 HydrophobicContact CD1-CG 3.9Å; L656-L688 HydrophobicContact CG-CG 4.46Å; L656-L688 PolarHBondContact N-O 3.35Å
689	I	88.9	Confident	67.7	Low	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.8	174.4	68	175.5	0	0	0	111.1	S595 Y596 V597 I619 V637 L641 W653 F654 Y655 I687 L691	S595-I689 WeakPolarHBondContact O-CG1 3.26Å; S595-I689 PolarHBondContact O-N 3.34Å; Y596-I689 CarbonylContact C-O 3.55Å; Y596-I689 WeakPolarHBondContact CA-O 3.44Å; V597-I689 WeakPolarHBondContact CG2-O 3.45Å; V597-I689 PolarHBondContact N-O 2.85Å; I619-I689 HydrophobicContact CD1-CD1 3.81Å; I619-I689 HydrophobicContact CD1-CG1 4.44Å; V637-I689 HydrophobicContact CG1-CD1 3.8Å; V637-I689 HydrophobicContact CG1-CG2 4.48Å; L641-I689 HydrophobicContact CD1-CD1 3.85Å; L641-I689 HydrophobicContact CD2-CD1 4.13Å; L641-I689 HydrophobicContact CG-CD1 4.25Å; W653-I689 HydrophobicContact CD2-CD1 4.26Å; W653-I689 HydrophobicContact CE3-CB 3.88Å; W653-I689 HydrophobicContact CE3-CD1 4.2Å; W653-I689 HydrophobicContact CE3-CG2 3.73Å; W653-I689 HydrophobicContact CZ3-CB 4.33Å; W653-I689 HydrophobicContact CZ3-CG2 3.65Å; F654-I689 CarbonylContact O-C 3.58Å; F654-I689 VanDerWaalsContact O-CA 3.28Å; F654-I689 WeakPolarHBondContact O-CA 3.41Å; Y655-I689 HydrophobicContact CD1-CG2 3.81Å; Y655-I689 HydrophobicContact CE1-CG2 4.23Å; I687-I689 HydrophobicContact CG2-CG2 3.94Å; I689-L691 HydrophobicContact CD1-CD2 3.86Å; I689-L691 HydrophobicContact CG1-CD2 4.2Å
690	V	85.7	Confident	66	Low	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.2	172.1	62.9	0	0	0	0	110.2	V597 W599 Y602 W653 F654 L656	V597-V690 HydrophobicContact CG2-CB 4.23Å; V597-V690 HydrophobicContact CG2-CG2 4.34Å; V597-V690 WeakPolarHBondContact O-CA 3.2Å; W599-V690 HydrophobicContact CB-CG2 4.38Å; W599-V690 HydrophobicContact CE3-CG1 4.28Å; W599-V690 HydrophobicContact CE3-CG2 3.74Å; W599-V690 HydrophobicContact CZ3-CG1 4.24Å; W599-V690 HydrophobicContact CZ3-CG2 4.45Å; Y602-V690 HydrophobicContact CD1-CG2 4.16Å; Y602-V690 HydrophobicContact CG-CB 4.48Å; Y602-V690 HydrophobicContact CG-CG2 3.99Å; W653-V690 WeakPolarHBondContact CA-O 3.23Å; W653-V690 VanDerWaalsContact CB-O 3.23Å; W653-V690 WeakPolarHBondContact CB-O 3.45Å; F654-V690 HydrophobicContact CB-CG1 4.05Å; F654-V690 PolarHBondContact N-O 3.13Å; F654-V690 VanDerWaalsContact N-O 3.14Å; F654-V690 PolarHBondContact O-N 3.43Å; L656-V690 HydrophobicContact CD1-CB 4.11Å; L656-V690 HydrophobicContact CD2-CB 3.94Å; L656-V690 HydrophobicContact CD2-CG1 3.64Å; L656-V690 HydrophobicContact CG-CB 4.06Å; L656-V690 HydrophobicContact CG-CG1 4.19Å
691	L	85	Confident	63.6	Low	15 Å²	15	69.7 Å²	69.7	8%	0.079	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.8	178.6	-54.1	-170.3	0	0	0	110.7	Y596 V597 W599 L641 A647 P650 W653 I689	Y596-L691 HydrophobicContact CD2-CD1 3.28Å; Y596-L691 HydrophobicContact CD2-CG 3.75Å; Y596-L691 HydrophobicContact CE2-CD1 3.7Å; Y596-L691 HydrophobicContact CG-CD1 3.89Å; Y596-L691 HydrophobicContact CG-CG 4.16Å; V597-L691 PolarHBondContact O-N 2.85Å; W599-L691 WeakPolarHBondContact CB-O 3.41Å; W599-L691 PolarHBondContact N-O 3.39Å; W599-L691 VanDerWaalsContact N-O 3.1Å; L641-L691 HydrophobicContact CD1-CD2 4.23Å; L641-L691 HydrophobicContact CD2-CD1 4.35Å; L641-L691 HydrophobicContact CD2-CD2 3.91Å; A647-L691 HydrophobicContact CB-CD1 4.19Å; P650-L691 HydrophobicContact CB-CB 4.17Å; P650-L691 HydrophobicContact CG-CD2 4.25Å; W653-L691 HydrophobicContact CB-CD2 3.82Å; W653-L691 HydrophobicContact CG-CD2 4.47Å; I689-L691 HydrophobicContact CD1-CD2 3.86Å; I689-L691 HydrophobicContact CG1-CD2 4.2Å
692	I	80.8	Confident	61.7	Low	9 Å²	9	78.4 Å²	78.4	5%	0.046	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.9	179.1	-50.5	177.5	0	0	0	109.8	W599 P650 E651 D652 F654 A696	W599-I692 HydrophobicContact CE3-CG1 3.88Å; W599-I692 HydrophobicContact CZ3-CD1 4.38Å; W599-I692 HydrophobicContact CZ3-CG1 4.2Å; P650-I692 WeakPolarHBondContact CB-O 3.46Å; E651-I692 PolarHBondContact N-O 3.25Å; E651-I692 VanDerWaalsContact N-O 3.15Å; D652-I692 HydrophobicContact CB-CD1 4.14Å; D652-I692 WeakPolarHBondContact O-CB 3.06Å; D652-I692 WeakPolarHBondContact O-CG1 3.36Å; D652-I692 PolarHBondContact O-N 3.03Å; F654-I692 HydrophobicContact CD2-CD1 3.64Å; F654-I692 HydrophobicContact CD2-CG1 4.46Å; F654-I692 HydrophobicContact CE2-CD1 3.31Å; F654-I692 HydrophobicContact CZ-CD1 4.32Å; I692-A696 HydrophobicContact CG2-CB 4.21Å
693	P	75	Confident	60	Low	69 Å²	69	76.5 Å²	76.5	45%	0.448	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-71.9	147.1	177.4	28.6	-32.1	0	0	0	111.8	E695 A696	P693-E695 PolarHBondContact O-N 3.45Å; P693-E695 VanDerWaalsContact O-N 3.16Å; P693-A696 HydrophobicContact CG-CB 4.24Å; P693-A696 WeakPolarHBondContact O-CB 3.38Å; P693-A696 PolarHBondContact O-N 2.91Å
694	R	64.5	Low	58.6	Low	170 Å²	170	77.3 Å²	77.3	64%	0.642	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-59.5	-23.4	-179	-69.4	-179.3	-179.9	-170.6	-3.9	115.2	A649 E651 A696 T697	A649-R694 PolarHBondContact O-NE 2.96Å; E651-R694 HydrophobicContact CB-CG 4.02Å; R694-A696 VanDerWaalsContact C-N 3.31Å; R694-T697 PolarHBondContact O-OG1 2.91Å
695	E	56.3	Low	56.9	Low	165 Å²	165	83.6 Å²	83.6	77%	0.771	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-79.8	-14.1	-177.4	-66.2	177.3	178.7	0	0	113.2	P693 T697 T698	P693-E695 PolarHBondContact O-N 3.45Å; P693-E695 VanDerWaalsContact O-N 3.16Å; E695-T697 PolarHBondContact O-N 2.86Å; E695-T698 PolarHBondContact O-OG1 2.83Å
696	A	49.2	Very low	55.4	Low	24 Å²	24	84.1 Å²	84.1	20%	0.198	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-76.3	-21.4	-172.3	0	0	0	0	0	113.7	F170 I692 P693 R694	F170-A696 HydrophobicContact CE1-CB 4.47Å; F170-A696 HydrophobicContact CE2-CB 4.08Å; F170-A696 WeakPolarHBondContact CE2-O 3.25Å; F170-A696 HydrophobicContact CZ-CB 3.62Å; F170-A696 VanDerWaalsContact CZ-O 3.29Å; F170-A696 WeakPolarHBondContact CZ-O 3.24Å; I692-A696 HydrophobicContact CG2-CB 4.21Å; P693-A696 HydrophobicContact CG-CB 4.24Å; P693-A696 WeakPolarHBondContact O-CB 3.38Å; P693-A696 PolarHBondContact O-N 2.91Å; R694-A696 VanDerWaalsContact C-N 3.31Å
697	T	44.4	Very low	53.5	Low	49 Å²	49	88.7 Å²	88.7	30%	0.301	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-88.6	-15.9	-178.1	45.1	0	0	0	0	114.6	E651 R694 E695 L699	E651-T697 WeakPolarHBondContact OE1-CG2 3.03Å; E651-T697 PolarHBondContact OE1-OG1 3.24Å; E651-T697 WeakPolarHBondContact OE2-CB 3.04Å; E651-T697 WeakPolarHBondContact OE2-CG2 3.15Å; E651-T697 PolarHBondContact OE2-OG1 3.16Å; R694-T697 PolarHBondContact O-OG1 2.91Å; E695-T697 PolarHBondContact O-N 2.86Å; T697-L699 VanDerWaalsContact C-N 3.32Å; T697-L699 PolarHBondContact O-N 3.19Å
698	T	33.7	Very low	51.1	Low	110 Å²	110	93.7 Å²	93.7	68%	0.675	50%	0.502	S	S	*	.	S	Bend	trans	-70.6	-23.3	-178	14.3	0	0	0	0	114.3	E695 T700	E695-T698 PolarHBondContact O-OG1 2.83Å; T698-T700 PolarHBondContact O-N 3.26Å; T698-T700 VanDerWaalsContact O-N 3.08Å
699	L	31.3	Very low	48.7	Very low	148 Å²	148	100.4 Å²	100.4	78%	0.775	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	82.9	172.8	-70.4	164.7	0	0	0	109	T697	T697-L699 VanDerWaalsContact C-N 3.32Å; T697-L699 PolarHBondContact O-N 3.19Å
700	T	35.1	Very low	46.4	Very low	116 Å²	116	107 Å²	107	71%	0.712	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.8	30.9	153.1	49.9	0	0	0	0	115.2	T698 E702	T698-T700 PolarHBondContact O-N 3.26Å; T698-T700 VanDerWaalsContact O-N 3.08Å; T700-E702 PolarHBondContact O-N 3.4Å
701	R	26.2	Very low	44.1	Very low	246 Å²	246	110.7 Å²	110.7	93%	0.928	59%	0.587	S	S	*	*			trans	-80.2	61.5	167.8	-105.2	-176.3	80	176.6	4.1	112.2
702	E	27.2	Very low	41.9	Very low	193 Å²	193	114 Å²	114	90%	0.902	60%	0.604	S	S	*	*			trans	-137.3	121.5	160.8	-65.8	-174.2	176.7	0	0	106.9	T700	T700-E702 PolarHBondContact O-N 3.4Å
703	G	28.7	Very low	39.9	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	63%	0.631	S	S	*	*			cis	-168.1	158.8	-3	0	0	0	0	0	105.3
704	P	33.9	Very low	38.2	Very low	125 Å²	125	122 Å²	122	81%	0.812	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-92.4	125.6	-168.4	33.5	-28.3	0	0	0	112.5
705	Q	30.2	Very low	37	Very low	170 Å²	170	119.6 Å²	119.6	79%	0.794	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-96.7	124.7	148.1	-81.8	-177.9	-25.7	0	0	107.5
706	S	36.2	Very low	36.3	Very low	76 Å²	76	116.9 Å²	116.9	53%	0.531	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-60.3	140.9	-168	46.3	0	0	0	0	113.4	D708	S706-D708 PolarHBondContact O-N 3.48Å
707	T	39.6	Very low	35.8	Very low	103 Å²	103	122.5 Å²	122.5	63%	0.632	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-6.3	177.9	36.2	0	0	0	0	115.6
708	D	34.5	Very low	35.3	Very low	107 Å²	107	126.6 Å²	126.6	57%	0.572	66%	0.662	S	S	*	*	H	α-helix	trans	-76.5	-26.4	-173.8	-65.3	-24.4	0	0	0	113.7	S706 N712	S706-D708 PolarHBondContact O-N 3.48Å; D708-N712 PolarHBondContact O-N 3.09Å; D708-N712 PolarHBondContact O-ND2 2.7Å
709	E	37.2	Very low	35.5	Very low	146 Å²	146	125 Å²	125	68%	0.682	66%	0.656	S	S	*	*	H	α-helix	trans	-73.5	-31.6	-178.2	-72.2	-175.6	162.3	0	0	113.3	F713	E709-F713 PolarHBondContact O-N 3.22Å
710	Q	38.8	Very low	35.6	Very low	138 Å²	138	120.8 Å²	120.8	65%	0.645	65%	0.648	S	S	*	*	H	α-helix	trans	-85.1	-30.2	-178.4	-74.3	-175.3	-2.2	0	0	113.5	N712 F713 I714	Q710-N712 VanDerWaalsContact C-N 3.27Å; Q710-F713 PolarHBondContact O-N 3.39Å; Q710-I714 PolarHBondContact O-N 3.16Å
711	V	39.1	Very low	35.5	Very low	78 Å²	78	122.1 Å²	122.1	47%	0.473	65%	0.649	S	S	.	*	H	α-helix	trans	-64.8	-38.6	171	178.1	0	0	0	0	109.7	F713 I714 Q715	V711-F713 PolarHBondContact O-N 2.97Å; V711-I714 PolarHBondContact O-N 3.26Å; V711-Q715 HydrophobicContact CG1-CG 4.39Å; V711-Q715 VanDerWaalsContact O-CB 3.3Å; V711-Q715 WeakPolarHBondContact O-CB 3.42Å; V711-Q715 WeakPolarHBondContact O-CG 3.25Å; V711-Q715 PolarHBondContact O-N 3.19Å
712	N	37.8	Very low	35.8	Very low	85 Å²	85	113.8 Å²	113.8	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-64.7	-34.8	172.9	-78.3	-28.4	0	0	0	112.9	D708 Q710 N716	D708-N712 PolarHBondContact O-N 3.09Å; D708-N712 PolarHBondContact O-ND2 2.7Å; Q710-N712 VanDerWaalsContact C-N 3.27Å; N712-N716 WeakPolarHBondContact O-CB 3.31Å; N712-N716 PolarHBondContact O-N 2.91Å; N712-N716 PolarHBondContact O-ND2 3.32Å
713	F	38.9	Very low	36.4	Very low	137 Å²	137	111 Å²	111	60%	0.601	62%	0.624	S	S	*	*	H	α-helix	trans	-66	-45.8	176.5	-172.8	-95.5	0	0	0	112.3	E709 Q710 V711 N716 E717	E709-F713 PolarHBondContact O-N 3.22Å; Q710-F713 PolarHBondContact O-N 3.39Å; V711-F713 PolarHBondContact O-N 2.97Å; F713-N716 PolarHBondContact O-N 3.44Å; F713-E717 PolarHBondContact O-N 3.46Å; F713-E717 VanDerWaalsContact O-N 3.09Å
714	I	40.1	Very low	36.7	Very low	107 Å²	107	114.2 Å²	114.2	55%	0.549	63%	0.625	S	S	.	*	H	α-helix	trans	-72.5	-38.5	179.6	-60.3	176.2	0	0	0	111	Q710 V711 M718	Q710-I714 PolarHBondContact O-N 3.16Å; V711-I714 PolarHBondContact O-N 3.26Å; I714-M718 HydrophobicContact CG2-SD 4.39Å; I714-M718 WeakPolarHBondContact O-CG 3.24Å; I714-M718 PolarHBondContact O-N 2.84Å; I714-M718 VanDerWaalsContact O-N 3.08Å
715	Q	37.9	Very low	36.7	Very low	120 Å²	120	115.4 Å²	115.4	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-37.4	173.5	-80.4	-177.8	-32.4	0	0	112.1	V711 M718 S719	V711-Q715 HydrophobicContact CG1-CG 4.39Å; V711-Q715 VanDerWaalsContact O-CB 3.3Å; V711-Q715 WeakPolarHBondContact O-CB 3.42Å; V711-Q715 WeakPolarHBondContact O-CG 3.25Å; V711-Q715 PolarHBondContact O-N 3.19Å; Q715-M718 PolarHBondContact O-N 3.05Å; Q715-S719 VanDerWaalsContact O-CB 3.28Å; Q715-S719 WeakPolarHBondContact O-CB 3.4Å; Q715-S719 PolarHBondContact O-N 2.78Å; Q715-S719 PolarHBondContact O-OG 2.98Å
716	N	41.6	Very low	36.8	Very low	109 Å²	109	113.7 Å²	113.7	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-69	-36.4	177	-79.2	-23.1	0	0	0	113.2	N712 F713 S719 G720	N712-N716 WeakPolarHBondContact O-CB 3.31Å; N712-N716 PolarHBondContact O-N 2.91Å; N712-N716 PolarHBondContact O-ND2 3.32Å; F713-N716 PolarHBondContact O-N 3.44Å; N716-S719 WeakPolarHBondContact CA-OG 3.49Å; N716-S719 PolarHBondContact O-OG 2.86Å; N716-G720 PolarHBondContact O-N 3.49Å
717	E	40.1	Very low	36.5	Very low	141 Å²	141	121.3 Å²	121.3	66%	0.659	64%	0.643	S	S	*	*	H	α-helix	trans	-68.1	-35.1	171.7	-86	-146.5	138	0	0	112.1	F713	F713-E717 PolarHBondContact O-N 3.46Å; F713-E717 VanDerWaalsContact O-N 3.09Å
718	M	34.3	Very low	35.9	Very low	135 Å²	135	124.8 Å²	124.8	67%	0.665	66%	0.657	S	S	*	*	H	α-helix	trans	-81.4	-30.5	179.6	-66.8	-167.5	106	0	0	113.5	I714 Q715 G720 I721	I714-M718 HydrophobicContact CG2-SD 4.39Å; I714-M718 WeakPolarHBondContact O-CG 3.24Å; I714-M718 PolarHBondContact O-N 2.84Å; I714-M718 VanDerWaalsContact O-N 3.08Å; Q715-M718 PolarHBondContact O-N 3.05Å; M718-G720 PolarHBondContact O-N 3.09Å; M718-I721 PolarHBondContact O-N 3.47Å
719	S	36.7	Very low	35.9	Very low	78 Å²	78	128.6 Å²	128.6	55%	0.545	69%	0.692	S	S	.	*	H	α-helix	trans	-73.3	-15.8	174.6	63.4	0	0	0	0	113	Q715 N716 I721	Q715-S719 VanDerWaalsContact O-CB 3.28Å; Q715-S719 WeakPolarHBondContact O-CB 3.4Å; Q715-S719 PolarHBondContact O-N 2.78Å; Q715-S719 PolarHBondContact O-OG 2.98Å; N716-S719 WeakPolarHBondContact CA-OG 3.49Å; N716-S719 PolarHBondContact O-OG 2.86Å; S719-I721 PolarHBondContact O-N 3.43Å
720	G	33.3	Very low	35.8	Very low	58 Å²	58	127.8 Å²	127.8	60%	0.598	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-11.4	169.1	0	0	0	0	0	114	N716 M718	N716-G720 PolarHBondContact O-N 3.49Å; M718-G720 PolarHBondContact O-N 3.09Å
721	I	33.4	Very low	35.6	Very low	145 Å²	145	127.2 Å²	127.2	74%	0.744	70%	0.695	S	S	*	*			trans	-106	59.7	177.1	-48.3	174.9	0	0	0	108.5	M718 S719	M718-I721 PolarHBondContact O-N 3.47Å; S719-I721 PolarHBondContact O-N 3.43Å
722	S	32.7	Very low	35.4	Very low	71 Å²	71	129.9 Å²	129.9	50%	0.497	71%	0.707	S	S	.	*			trans	-78.3	139.2	167.7	177	0	0	0	0	110.3	D724	S722-D724 PolarHBondContact O-N 3.35Å; S722-D724 VanDerWaalsContact O-N 3.1Å
723	V	38.7	Very low	35.3	Very low	133 Å²	133	132.6 Å²	132.6	81%	0.806	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-69.8	-2.5	-173.8	-178.7	0	0	0	0	113.1
724	D	35.9	Very low	35.1	Very low	136 Å²	136	132.3 Å²	132.3	73%	0.727	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-84.7	-8.5	-177.1	-69.3	-36.4	0	0	0	115.4	S722 V726	S722-D724 PolarHBondContact O-N 3.35Å; S722-D724 VanDerWaalsContact O-N 3.1Å; D724-V726 VanDerWaalsContact C-N 3.29Å; D724-V726 PolarHBondContact O-N 2.85Å
725	N	33	Very low	34.8	Very low	151 Å²	151	134 Å²	134	81%	0.807	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-84.1	15.8	-180	-82.8	-19.4	0	0	0	115.6
726	V	32.8	Very low	34.5	Very low	134 Å²	134	135 Å²	135	81%	0.812	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-109.5	10.9	176.9	-170.6	0	0	0	0	113.3	D724	D724-V726 VanDerWaalsContact C-N 3.29Å; D724-V726 PolarHBondContact O-N 2.85Å
727	R	30.3	Very low	34	Very low	235 Å²	235	137 Å²	137	89%	0.887	77%	0.768	S	S	*	*	S	Bend	trans	-118	77.9	164.5	-75.6	-175.1	177.4	177.1	0.7	109.7
728	L	27.1	Very low	33.5	Very low	176 Å²	176	136.7 Å²	136.7	92%	0.921	78%	0.777	S	S	*	*			trans	174.1	75.7	152	-91.8	156.8	0	0	0	109.8
729	S	33.6	Very low	33.4	Very low	188 Å²	188	136.8 Å²	136.8	100%	1.315	79%	0.787	S	S	*	*			trans	-164.1	0	151.9	68.7	0	0	0	0	107.4

Retrieved 729 of 729 residues in 468.1 ms (Link to these results)

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