A0A087WUU8_HUMAN Loading...

Zinc finger protein 724

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WUU8, Species HUMAN (Homo sapiens, Human), Gene ZNF724, Length 490 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	32.1	Very low	47.2	Very low	227 Å²	227	103.2 Å²	103.2	100%	1.118	54%	0.536	S	S	*	.				0	96	0	-115	-172.1	174.6	0	0	105.4	V3	M1-V3 PolarHBondContact O-N 2.82Å
2	D	34.6	Very low	48.2	Very low	146 Å²	146	94.9 Å²	94.9	78%	0.781	49%	0.493	S	S	*	.			trans	-78.3	115.3	-174.9	-67.7	-45.3	0	0	0	110
3	V	44.8	Very low	48.5	Very low	88 Å²	88	98.8 Å²	98.8	53%	0.533	51%	0.507	S	S	.	.			trans	-97.8	30.4	174	-165.1	0	0	0	0	109.4	M1 M27 L34	M1-V3 PolarHBondContact O-N 2.82Å; V3-M27 WeakPolarHBondContact O-CE 2.84Å; V3-L34 HydrophobicContact CB-CD1 3.96Å; V3-L34 HydrophobicContact CG1-CD1 3.68Å; V3-L34 HydrophobicContact CG2-CD1 3.73Å
4	A	51	Low	48.8	Very low	27 Å²	27	99.5 Å²	99.5	22%	0.223	52%	0.523	C	S	.	.			trans	-105.4	115.9	-176.1	0	0	0	0	0	108.7	E6 L46	A4-E6 HydrophobicContact CB-CG 4.39Å; A4-L46 HydrophobicContact CB-CD2 3.4Å
5	I	54.3	Low	49.1	Very low	115 Å²	115	94.7 Å²	94.7	59%	0.59	50%	0.498	S	S	*	.			trans	-91.4	97.5	167.8	-61.5	176.2	0	0	0	105.8	Y23	I5-Y23 HydrophobicContact CB-CE2 4.5Å; I5-Y23 WeakPolarHBondContact O-CE2 3.17Å; I5-Y23 VanDerWaalsContact O-CZ 3.29Å; I5-Y23 PolarHBondContact O-OH 3.39Å
6	E	51.7	Low	49.4	Very low	148 Å²	148	94 Å²	94	69%	0.692	50%	0.495	S	S	*	.			trans	-80.9	143.7	-180	-65.8	177.1	178.6	0	0	110.7	A4 L46	A4-E6 HydrophobicContact CB-CG 4.39Å; E6-L46 HydrophobicContact CG-CD2 4.34Å
7	F	50.8	Low	49.6	Very low	71 Å²	71	94.6 Å²	94.6	31%	0.311	50%	0.504	S	S	.	.			trans	-105.9	140.8	172.8	-77.7	-76	0	0	0	109.1	E11 W12 L15 Y23	F7-E11 HydrophobicContact CB-CB 4.41Å; F7-E11 HydrophobicContact CD1-CB 3.84Å; F7-W12 HydrophobicContact CB-CB 4.38Å; F7-W12 HydrophobicContact CB-CE3 4.02Å; F7-W12 AromaticContact CD2-CE3 3.71Å; F7-W12 HydrophobicContact CD2-CE3 3.71Å; F7-W12 AromaticContact CD2-CZ3 3.85Å; F7-W12 HydrophobicContact CD2-CZ3 3.85Å; F7-W12 HydrophobicContact CE2-CE3 4.48Å; F7-W12 HydrophobicContact CE2-CZ3 4.37Å; F7-W12 HydrophobicContact CG-CE3 4.1Å; F7-L15 HydrophobicContact CD2-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.37Å; F7-L15 HydrophobicContact CE2-CD1 4.17Å; F7-L15 HydrophobicContact CZ-CD1 4.12Å; F7-Y23 HydrophobicContact CD2-CD2 4.17Å; F7-Y23 AromaticContact CD2-CE2 3.86Å; F7-Y23 HydrophobicContact CD2-CE2 3.86Å; F7-Y23 AromaticContact CE2-CD2 3.44Å; F7-Y23 HydrophobicContact CE2-CD2 3.44Å; F7-Y23 VanDerWaalsContact CE2-CD2 3.44Å; F7-Y23 AromaticContact CE2-CE2 3.49Å; F7-Y23 HydrophobicContact CE2-CE2 3.49Å; F7-Y23 VanDerWaalsContact CE2-CE2 3.49Å; F7-Y23 AromaticContact CE2-CG 3.99Å; F7-Y23 HydrophobicContact CE2-CG 3.99Å; F7-Y23 HydrophobicContact CZ-CD2 4.42Å
8	S	54.3	Low	49.5	Very low	48 Å²	48	93.4 Å²	93.4	34%	0.336	51%	0.509	S	S	.	.			trans	-68.2	163.1	165.3	58.3	0	0	0	0	111.3	E10 E11 W12	S8-E10 VanDerWaalsContact C-N 3.25Å; S8-E10 PolarHBondContact O-N 2.78Å; S8-E11 PolarHBondContact N-OE2 3.35Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.44Å; S8-E11 WeakPolarHBondContact OG-CG 3.41Å; S8-E11 PolarHBondContact OG-N 3.11Å; S8-E11 PolarHBondContact OG-OE2 3.4Å; S8-W12 PolarHBondContact O-N 3.39Å
9	V	47.1	Very low	49.4	Very low	54 Å²	54	91.5 Å²	91.5	33%	0.327	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-40.7	-178.7	175.3	0	0	0	0	110.6	W12 Q13 W57	V9-W12 PolarHBondContact O-N 3.3Å; V9-Q13 VanDerWaalsContact O-CG 3.32Å; V9-Q13 WeakPolarHBondContact O-CG 2.85Å; V9-Q13 PolarHBondContact O-N 3.36Å; V9-Q13 VanDerWaalsContact O-N 3.13Å; V9-W57 HydrophobicContact CG2-CB 3.94Å; V9-W57 HydrophobicContact CG2-CG 4.02Å
10	E	48	Very low	49.8	Very low	130 Å²	130	88.5 Å²	88.5	61%	0.607	48%	0.478	S	S	*	.	H	α-helix	trans	-67.5	-40.5	179.2	-58.5	74.1	-161.4	0	0	111	S8 C14	S8-E10 VanDerWaalsContact C-N 3.25Å; S8-E10 PolarHBondContact O-N 2.78Å; E10-C14 PolarHBondContact O-N 3.09Å; E10-C14 PolarHBondContact O-SG 3.03Å
11	E	50.5	Low	50.1	Low	81 Å²	81	87.8 Å²	87.8	38%	0.379	47%	0.474	S	S	.	.	H	α-helix	trans	-70.2	-35.4	177.7	-71.6	168.7	139.5	0	0	112.4	F7 S8 C14	F7-E11 HydrophobicContact CB-CB 4.41Å; F7-E11 HydrophobicContact CD1-CB 3.84Å; S8-E11 PolarHBondContact N-OE2 3.35Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.44Å; S8-E11 WeakPolarHBondContact OG-CG 3.41Å; S8-E11 PolarHBondContact OG-N 3.11Å; S8-E11 PolarHBondContact OG-OE2 3.4Å; E11-C14 PolarHBondContact O-N 3.02Å
12	W	59.2	Low	51.2	Low	4 Å²	4	80.5 Å²	80.5	2%	0.015	44%	0.44	C	S	.	.	H	α-helix	trans	-72.2	-36.3	179.2	-170.2	-86	0	0	0	112.6	F7 S8 V9 C14 L15 Q20 Y23 P56 W57	F7-W12 HydrophobicContact CB-CB 4.38Å; F7-W12 HydrophobicContact CB-CE3 4.02Å; F7-W12 AromaticContact CD2-CE3 3.71Å; F7-W12 HydrophobicContact CD2-CE3 3.71Å; F7-W12 AromaticContact CD2-CZ3 3.85Å; F7-W12 HydrophobicContact CD2-CZ3 3.85Å; F7-W12 HydrophobicContact CE2-CE3 4.48Å; F7-W12 HydrophobicContact CE2-CZ3 4.37Å; F7-W12 HydrophobicContact CG-CE3 4.1Å; S8-W12 PolarHBondContact O-N 3.39Å; V9-W12 PolarHBondContact O-N 3.3Å; W12-C14 PolarHBondContact O-N 3.2Å; W12-L15 HydrophobicContact CD2-CD1 4.47Å; W12-L15 HydrophobicContact CE3-CD1 4.06Å; W12-L15 HydrophobicContact CZ3-CD1 4.43Å; W12-L15 WeakPolarHBondContact O-CB 3.37Å; W12-L15 PolarHBondContact O-N 3.14Å; W12-L15 VanDerWaalsContact O-N 3.11Å; W12-Q20 HydrophobicContact CD2-CG 4.37Å; W12-Q20 HydrophobicContact CH2-CB 4.16Å; W12-Q20 HydrophobicContact CH2-CG 4.3Å; W12-Q20 HydrophobicContact CZ2-CB 3.68Å; W12-Q20 HydrophobicContact CZ2-CG 3.64Å; W12-Q20 VanDerWaalsContact NE1-NE2 3.13Å; W12-Q20 PolarHBondContact O-NE2 3.26Å; W12-Y23 AromaticContact CH2-CD1 3.59Å; W12-Y23 HydrophobicContact CH2-CD1 3.59Å; W12-Y23 HydrophobicContact CH2-CE1 4.07Å; W12-Y23 HydrophobicContact CH2-CG 4.42Å; W12-Y23 AromaticContact CZ3-CD1 3.43Å; W12-Y23 HydrophobicContact CZ3-CD1 3.43Å; W12-Y23 VanDerWaalsContact CZ3-CD1 3.43Å; W12-Y23 AromaticContact CZ3-CE1 3.68Å; W12-Y23 HydrophobicContact CZ3-CE1 3.68Å; W12-Y23 HydrophobicContact CZ3-CG 4.08Å; W12-P56 HydrophobicContact CD2-CG 4.31Å; W12-P56 HydrophobicContact CE3-CG 4.1Å; W12-P56 HydrophobicContact CH2-CG 3.91Å; W12-P56 HydrophobicContact CZ2-CG 4.13Å; W12-P56 HydrophobicContact CZ3-CG 3.9Å; W12-W57 HydrophobicContact CB-CE3 4.48Å; W12-W57 HydrophobicContact CB-CZ3 4.4Å; W12-W57 AromaticContact CD1-CE3 3.91Å; W12-W57 AromaticContact CD1-CH2 3.41Å; W12-W57 VanDerWaalsContact CD1-CH2 3.41Å; W12-W57 AromaticContact CD1-CZ3 3.06Å; W12-W57 HydrophobicContact CD2-CE3 4.41Å; W12-W57 AromaticContact CD2-CZ3 3.97Å; W12-W57 HydrophobicContact CD2-CZ3 3.97Å; W12-W57 AromaticContact CE2-CZ3 3.72Å; W12-W57 AromaticContact CG-CE3 4Å; W12-W57 HydrophobicContact CG-CE3 4Å; W12-W57 HydrophobicContact CG-CH2 4.27Å; W12-W57 AromaticContact CG-CZ3 3.56Å; W12-W57 HydrophobicContact CG-CZ3 3.56Å; W12-W57 AromaticContact NE1-CH2 3.62Å; W12-W57 AromaticContact NE1-CZ3 3.18Å
13	Q	51.8	Low	52.7	Low	145 Å²	145	74.8 Å²	74.8	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-67.8	-22.7	175.6	-73.5	178.2	1.4	0	0	113	V9 L15	V9-Q13 VanDerWaalsContact O-CG 3.32Å; V9-Q13 WeakPolarHBondContact O-CG 2.85Å; V9-Q13 PolarHBondContact O-N 3.36Å; V9-Q13 VanDerWaalsContact O-N 3.13Å; Q13-L15 VanDerWaalsContact C-N 3.28Å
14	C	53.6	Low	53.6	Low	109 Å²	109	72.6 Å²	72.6	74%	0.736	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.6	172.4	-67.8	0	0	0	0	113.9	E10 E11 W12	E10-C14 PolarHBondContact O-N 3.09Å; E10-C14 PolarHBondContact O-SG 3.03Å; E11-C14 PolarHBondContact O-N 3.02Å; W12-C14 PolarHBondContact O-N 3.2Å
15	L	53.2	Low	53.8	Low	28 Å²	28	76.3 Å²	76.3	15%	0.147	41%	0.405	C	S	.	.	S	Bend	trans	-90.6	133.3	179.2	-61.6	176.6	0	0	0	111.2	F7 W12 Q13 Q19 Q20	F7-L15 HydrophobicContact CD2-CD1 4.49Å; F7-L15 HydrophobicContact CE1-CD1 4.37Å; F7-L15 HydrophobicContact CE2-CD1 4.17Å; F7-L15 HydrophobicContact CZ-CD1 4.12Å; W12-L15 HydrophobicContact CD2-CD1 4.47Å; W12-L15 HydrophobicContact CE3-CD1 4.06Å; W12-L15 HydrophobicContact CZ3-CD1 4.43Å; W12-L15 WeakPolarHBondContact O-CB 3.37Å; W12-L15 PolarHBondContact O-N 3.14Å; W12-L15 VanDerWaalsContact O-N 3.11Å; Q13-L15 VanDerWaalsContact C-N 3.28Å; L15-Q19 HydrophobicContact CB-CB 4.13Å; L15-Q19 HydrophobicContact CD2-CB 4.15Å; L15-Q20 HydrophobicContact CB-CG 3.74Å; L15-Q20 HydrophobicContact CD1-CG 4.45Å; L15-Q20 PolarHBondContact O-NE2 3.35Å; L15-Q20 VanDerWaalsContact O-NE2 3.13Å
16	D	52.6	Low	53.9	Low	83 Å²	83	73.1 Å²	73.1	44%	0.444	39%	0.392	S	S	.	.			trans	-71.7	164.1	170.3	71.1	50.1	0	0	0	111.8	A18 Q19 Q20	D16-A18 PolarHBondContact O-N 2.87Å; D16-A18 VanDerWaalsContact O-N 3.12Å; D16-A18 WeakPolarHBondContact OD1-CA 3.19Å; D16-A18 VanDerWaalsContact OD1-CB 3.29Å; D16-A18 WeakPolarHBondContact OD1-CB 3.39Å; D16-A18 PolarHBondContact OD1-N 3.18Å; D16-Q19 WeakPolarHBondContact O-CB 3.43Å; D16-Q19 PolarHBondContact O-N 3.17Å; D16-Q19 WeakPolarHBondContact OD1-CG 3.45Å; D16-Q19 PolarHBondContact OD1-N 3.21Å; D16-Q20 WeakPolarHBondContact O-CG 3.16Å; D16-Q20 PolarHBondContact O-N 2.79Å
17	T	53	Low	54.6	Low	105 Å²	105	66.5 Å²	66.5	64%	0.644	36%	0.361	S	S	*	.	H	α-helix	trans	-57.2	-30.2	-177.7	-44.6	0	0	0	0	113.1	N21	T17-N21 WeakPolarHBondContact O-CB 3.47Å; T17-N21 VanDerWaalsContact O-CG 3.29Å; T17-N21 PolarHBondContact O-N 3.39Å; T17-N21 PolarHBondContact O-ND2 3.05Å
18	A	48.3	Very low	55.1	Low	72 Å²	72	64.3 Å²	64.3	60%	0.595	35%	0.352	S	S	*	.	H	α-helix	trans	-75.4	-38.5	178.4	0	0	0	0	0	111.4	D16 N21 L22	D16-A18 PolarHBondContact O-N 2.87Å; D16-A18 VanDerWaalsContact O-N 3.12Å; D16-A18 WeakPolarHBondContact OD1-CA 3.19Å; D16-A18 VanDerWaalsContact OD1-CB 3.29Å; D16-A18 WeakPolarHBondContact OD1-CB 3.39Å; D16-A18 PolarHBondContact OD1-N 3.18Å; A18-N21 PolarHBondContact O-N 3.18Å; A18-L22 WeakPolarHBondContact O-CB 3.38Å; A18-L22 PolarHBondContact O-N 3.19Å
19	Q	48.2	Very low	55.2	Low	57 Å²	57	66.2 Å²	66.2	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-42.1	176.4	-68.4	171.7	-25.2	0	0	112.1	L15 D16 N21 L22 Y23	L15-Q19 HydrophobicContact CB-CB 4.13Å; L15-Q19 HydrophobicContact CD2-CB 4.15Å; D16-Q19 WeakPolarHBondContact O-CB 3.43Å; D16-Q19 PolarHBondContact O-N 3.17Å; D16-Q19 WeakPolarHBondContact OD1-CG 3.45Å; D16-Q19 PolarHBondContact OD1-N 3.21Å; Q19-N21 VanDerWaalsContact C-N 3.33Å; Q19-N21 PolarHBondContact O-N 3.07Å; Q19-L22 PolarHBondContact O-N 2.89Å; Q19-Y23 PolarHBondContact O-N 3.38Å
20	Q	56.4	Low	55.5	Low	31 Å²	31	67 Å²	67	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-40.8	175.1	-66.7	179.5	3.3	0	0	111.8	W12 L15 D16 R24	W12-Q20 HydrophobicContact CD2-CG 4.37Å; W12-Q20 HydrophobicContact CH2-CB 4.16Å; W12-Q20 HydrophobicContact CH2-CG 4.3Å; W12-Q20 HydrophobicContact CZ2-CB 3.68Å; W12-Q20 HydrophobicContact CZ2-CG 3.64Å; W12-Q20 VanDerWaalsContact NE1-NE2 3.13Å; W12-Q20 PolarHBondContact O-NE2 3.26Å; L15-Q20 HydrophobicContact CB-CG 3.74Å; L15-Q20 HydrophobicContact CD1-CG 4.45Å; L15-Q20 PolarHBondContact O-NE2 3.35Å; L15-Q20 VanDerWaalsContact O-NE2 3.13Å; D16-Q20 WeakPolarHBondContact O-CG 3.16Å; D16-Q20 PolarHBondContact O-N 2.79Å; Q20-R24 WeakPolarHBondContact O-CG 3.36Å; Q20-R24 PolarHBondContact O-N 3.44Å
21	N	56.5	Low	56	Low	74 Å²	74	62.7 Å²	62.7	40%	0.396	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-36.5	175	-77.8	-32.3	0	0	0	112.6	T17 A18 Q19 N25	T17-N21 WeakPolarHBondContact O-CB 3.47Å; T17-N21 VanDerWaalsContact O-CG 3.29Å; T17-N21 PolarHBondContact O-N 3.39Å; T17-N21 PolarHBondContact O-ND2 3.05Å; A18-N21 PolarHBondContact O-N 3.18Å; Q19-N21 VanDerWaalsContact C-N 3.33Å; Q19-N21 PolarHBondContact O-N 3.07Å; N21-N25 WeakPolarHBondContact O-CB 3.47Å; N21-N25 PolarHBondContact O-N 3.39Å; N21-N25 PolarHBondContact O-ND2 3.14Å
22	L	55.4	Low	56.2	Low	74 Å²	74	66.5 Å²	66.5	39%	0.387	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-47	175.1	-178.9	62.7	0	0	0	111	A18 Q19 R24 N25 V26 Y97	A18-L22 WeakPolarHBondContact O-CB 3.38Å; A18-L22 PolarHBondContact O-N 3.19Å; Q19-L22 PolarHBondContact O-N 2.89Å; L22-R24 PolarHBondContact O-N 3Å; L22-N25 PolarHBondContact O-N 3.38Å; L22-V26 HydrophobicContact CD1-CG2 4.13Å; L22-V26 HydrophobicContact CG-CG2 4.39Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.31Å; L22-Y97 HydrophobicContact CD2-CE1 4.23Å
23	Y	65.3	Low	55.7	Low	26 Å²	26	69.7 Å²	69.7	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-57.3	-49.1	176.2	171	-94.2	0	0	0	111.6	I5 F7 W12 Q19 N25 V26 M27 L50	I5-Y23 HydrophobicContact CB-CE2 4.5Å; I5-Y23 WeakPolarHBondContact O-CE2 3.17Å; I5-Y23 VanDerWaalsContact O-CZ 3.29Å; I5-Y23 PolarHBondContact O-OH 3.39Å; F7-Y23 HydrophobicContact CD2-CD2 4.17Å; F7-Y23 AromaticContact CD2-CE2 3.86Å; F7-Y23 HydrophobicContact CD2-CE2 3.86Å; F7-Y23 AromaticContact CE2-CD2 3.44Å; F7-Y23 HydrophobicContact CE2-CD2 3.44Å; F7-Y23 VanDerWaalsContact CE2-CD2 3.44Å; F7-Y23 AromaticContact CE2-CE2 3.49Å; F7-Y23 HydrophobicContact CE2-CE2 3.49Å; F7-Y23 VanDerWaalsContact CE2-CE2 3.49Å; F7-Y23 AromaticContact CE2-CG 3.99Å; F7-Y23 HydrophobicContact CE2-CG 3.99Å; F7-Y23 HydrophobicContact CZ-CD2 4.42Å; W12-Y23 AromaticContact CH2-CD1 3.59Å; W12-Y23 HydrophobicContact CH2-CD1 3.59Å; W12-Y23 HydrophobicContact CH2-CE1 4.07Å; W12-Y23 HydrophobicContact CH2-CG 4.42Å; W12-Y23 AromaticContact CZ3-CD1 3.43Å; W12-Y23 HydrophobicContact CZ3-CD1 3.43Å; W12-Y23 VanDerWaalsContact CZ3-CD1 3.43Å; W12-Y23 AromaticContact CZ3-CE1 3.68Å; W12-Y23 HydrophobicContact CZ3-CE1 3.68Å; W12-Y23 HydrophobicContact CZ3-CG 4.08Å; Q19-Y23 PolarHBondContact O-N 3.38Å; Y23-N25 VanDerWaalsContact C-N 3.33Å; Y23-N25 PolarHBondContact O-N 3.06Å; Y23-V26 PolarHBondContact O-N 2.9Å; Y23-M27 HydrophobicContact CD1-CG 4.27Å; Y23-M27 HydrophobicContact CD2-CG 3.92Å; Y23-M27 HydrophobicContact CE1-CG 3.95Å; Y23-M27 HydrophobicContact CE2-CE 4.44Å; Y23-M27 HydrophobicContact CE2-CG 3.6Å; Y23-M27 HydrophobicContact CE2-SD 4Å; Y23-M27 HydrophobicContact CG-CG 4.29Å; Y23-M27 WeakPolarHBondContact O-CB 3.37Å; Y23-M27 VanDerWaalsContact O-CG 3.28Å; Y23-M27 WeakPolarHBondContact O-CG 3.24Å; Y23-M27 PolarHBondContact O-N 3.29Å; Y23-L50 HydrophobicContact CD1-CD2 4.41Å; Y23-L50 HydrophobicContact CE1-CD1 4.17Å; Y23-L50 HydrophobicContact CE1-CD2 4.02Å
24	R	64.8	Low	55.6	Low	43 Å²	43	64.6 Å²	64.6	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-52.6	-50.7	174.9	-81	174.7	-177.3	140.9	0.6	111.7	Q20 L22 V26 M27 L28 L50	Q20-R24 WeakPolarHBondContact O-CG 3.36Å; Q20-R24 PolarHBondContact O-N 3.44Å; L22-R24 PolarHBondContact O-N 3Å; R24-V26 PolarHBondContact O-N 3.4Å; R24-M27 PolarHBondContact O-N 2.87Å; R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.44Å; R24-L28 PolarHBondContact O-N 3.04Å; R24-L50 HydrophobicContact CG-CD2 3.63Å
25	N	54.7	Low	55.4	Low	104 Å²	104	62.3 Å²	62.3	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-62.8	-43.5	-178.6	-77	-49.7	0	0	0	112.7	N21 L22 Y23 E29	N21-N25 WeakPolarHBondContact O-CB 3.47Å; N21-N25 PolarHBondContact O-N 3.39Å; N21-N25 PolarHBondContact O-ND2 3.14Å; L22-N25 PolarHBondContact O-N 3.38Å; Y23-N25 VanDerWaalsContact C-N 3.33Å; Y23-N25 PolarHBondContact O-N 3.06Å; N25-E29 VanDerWaalsContact O-CB 3.23Å; N25-E29 WeakPolarHBondContact O-CB 3.46Å; N25-E29 PolarHBondContact O-N 3.47Å
26	V	56.5	Low	54.9	Low	49 Å²	49	69.3 Å²	69.3	30%	0.297	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-43.9	-179.6	171.2	0	0	0	0	111.1	L22 Y23 R24 E29 N30	L22-V26 HydrophobicContact CD1-CG2 4.13Å; L22-V26 HydrophobicContact CG-CG2 4.39Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.31Å; Y23-V26 PolarHBondContact O-N 2.9Å; R24-V26 PolarHBondContact O-N 3.4Å; V26-E29 PolarHBondContact O-N 3.46Å; V26-N30 VanDerWaalsContact O-CB 3.29Å; V26-N30 WeakPolarHBondContact O-CB 3.47Å; V26-N30 PolarHBondContact O-N 3.19Å; V26-N30 PolarHBondContact O-ND2 3.18Å
27	M	65.9	Low	54.5	Low	9 Å²	9	71 Å²	71	4%	0.044	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-41.9	-180	-66.1	-57.5	-80.3	0	0	112	V3 Y23 R24 Y31 L46 I47 L50	V3-M27 WeakPolarHBondContact O-CE 2.84Å; Y23-M27 HydrophobicContact CD1-CG 4.27Å; Y23-M27 HydrophobicContact CD2-CG 3.92Å; Y23-M27 HydrophobicContact CE1-CG 3.95Å; Y23-M27 HydrophobicContact CE2-CE 4.44Å; Y23-M27 HydrophobicContact CE2-CG 3.6Å; Y23-M27 HydrophobicContact CE2-SD 4Å; Y23-M27 HydrophobicContact CG-CG 4.29Å; Y23-M27 WeakPolarHBondContact O-CB 3.37Å; Y23-M27 VanDerWaalsContact O-CG 3.28Å; Y23-M27 WeakPolarHBondContact O-CG 3.24Å; Y23-M27 PolarHBondContact O-N 3.29Å; R24-M27 PolarHBondContact O-N 2.87Å; M27-Y31 WeakPolarHBondContact O-CB 3.49Å; M27-Y31 PolarHBondContact O-N 3.37Å; M27-L46 HydrophobicContact CE-CD2 4.14Å; M27-I47 HydrophobicContact CB-CD1 4.35Å; M27-L50 HydrophobicContact CB-CD1 3.78Å; M27-L50 HydrophobicContact CG-CD1 4.34Å
28	L	61.2	Low	53.8	Low	24 Å²	24	68.9 Å²	68.9	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-67.1	-39.9	175.4	-65.9	178.8	0	0	0	112.3	R24 R32 I47 L50 E51	R24-L28 WeakPolarHBondContact O-CB 3.44Å; R24-L28 VanDerWaalsContact O-CG 3.24Å; R24-L28 WeakPolarHBondContact O-CG 3.44Å; R24-L28 PolarHBondContact O-N 3.04Å; L28-R32 WeakPolarHBondContact O-CB 3.41Å; L28-R32 WeakPolarHBondContact O-CG 3.41Å; L28-R32 PolarHBondContact O-N 2.86Å; L28-I47 HydrophobicContact CD2-CG2 3.89Å; L28-L50 HydrophobicContact CD2-CB 4.19Å; L28-L50 HydrophobicContact CG-CB 4.5Å; L28-E51 HydrophobicContact CD1-CG 4.29Å; L28-E51 HydrophobicContact CD2-CG 3.51Å
29	E	56.4	Low	53.6	Low	89 Å²	89	70.8 Å²	70.8	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-40.4	177.4	-169.4	163.6	-166	0	0	111.3	N25 V26 R32 N33 K96	N25-E29 VanDerWaalsContact O-CB 3.23Å; N25-E29 WeakPolarHBondContact O-CB 3.46Å; N25-E29 PolarHBondContact O-N 3.47Å; V26-E29 PolarHBondContact O-N 3.46Å; E29-R32 PolarHBondContact O-N 3.03Å; E29-N33 WeakPolarHBondContact O-CB 3.44Å; E29-N33 PolarHBondContact O-N 3.46Å; E29-N33 PolarHBondContact O-ND2 2.97Å; E29-N33 VanDerWaalsContact O-ND2 3.11Å; E29-K96 IonicContact OE1-NZ 3.76Å; E29-K96 IonicContact OE2-NZ 3.38Å; E29-K96 PolarHBondContact OE2-NZ 3.48Å
30	N	54.2	Low	53.5	Low	70 Å²	70	69.6 Å²	69.6	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-46.4	174	-75.3	-15	0	0	0	111.9	V26 R32 N33 L34	V26-N30 VanDerWaalsContact O-CB 3.29Å; V26-N30 WeakPolarHBondContact O-CB 3.47Å; V26-N30 PolarHBondContact O-N 3.19Å; V26-N30 PolarHBondContact O-ND2 3.18Å; N30-R32 PolarHBondContact O-N 2.98Å; N30-N33 WeakPolarHBondContact O-CB 2.94Å; N30-N33 PolarHBondContact O-N 3.27Å; N30-L34 WeakPolarHBondContact O-CG 3.39Å; N30-L34 PolarHBondContact O-N 3.26Å
31	Y	58.1	Low	52.8	Low	39 Å²	39	75 Å²	75	15%	0.153	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-44.7	175.4	177.5	-104.3	0	0	0	111.7	M27 N33 L34 V35 A40 K43 I47	M27-Y31 WeakPolarHBondContact O-CB 3.49Å; M27-Y31 PolarHBondContact O-N 3.37Å; Y31-N33 VanDerWaalsContact C-N 3.27Å; Y31-N33 PolarHBondContact O-N 3.05Å; Y31-L34 PolarHBondContact O-N 3.1Å; Y31-L34 VanDerWaalsContact O-N 3.14Å; Y31-V35 HydrophobicContact CD1-CG2 4.15Å; Y31-V35 HydrophobicContact CD2-CG2 4.35Å; Y31-V35 HydrophobicContact CE1-CG2 3.64Å; Y31-V35 HydrophobicContact CE2-CG2 3.85Å; Y31-V35 HydrophobicContact CG-CG2 4.48Å; Y31-V35 VanDerWaalsContact CZ-CG2 3.46Å; Y31-V35 WeakPolarHBondContact O-CG2 3.47Å; Y31-V35 PolarHBondContact O-N 3.46Å; Y31-A40 HydrophobicContact CD2-CB 4.44Å; Y31-A40 HydrophobicContact CE2-CB 3.93Å; Y31-K43 HydrophobicContact CE1-CD 4.49Å; Y31-K43 HydrophobicContact CE1-CG 4Å; Y31-K43 HydrophobicContact CE2-CG 4.45Å; Y31-K43 VanDerWaalsContact OH-CA 3.24Å; Y31-K43 WeakPolarHBondContact OH-CA 3.46Å; Y31-K43 VanDerWaalsContact OH-CB 3.26Å; Y31-K43 WeakPolarHBondContact OH-CB 3.44Å; Y31-I47 HydrophobicContact CD1-CG2 3.6Å; Y31-I47 HydrophobicContact CD2-CG1 4.09Å; Y31-I47 HydrophobicContact CD2-CG2 4.47Å; Y31-I47 HydrophobicContact CE1-CG2 4.05Å; Y31-I47 HydrophobicContact CG-CB 4.47Å; Y31-I47 HydrophobicContact CG-CD1 4.33Å; Y31-I47 HydrophobicContact CG-CG1 3.97Å; Y31-I47 HydrophobicContact CG-CG2 3.83Å
32	R	55	Low	52.5	Low	161 Å²	161	75.9 Å²	75.9	61%	0.608	41%	0.407	S	S	*	.	H	α-helix	trans	-58.4	-39.4	174.8	-74.3	170	-177	-178.4	2.7	112.2	L28 E29 N30 V35 F36	L28-R32 WeakPolarHBondContact O-CB 3.41Å; L28-R32 WeakPolarHBondContact O-CG 3.41Å; L28-R32 PolarHBondContact O-N 2.86Å; E29-R32 PolarHBondContact O-N 3.03Å; N30-R32 PolarHBondContact O-N 2.98Å; R32-V35 PolarHBondContact O-N 2.86Å; R32-F36 VanDerWaalsContact O-CB 3.28Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 3.14Å
33	N	48.5	Very low	52.7	Low	71 Å²	71	76.1 Å²	76.1	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-41	175.9	-70.8	-31.4	0	0	0	111.9	E29 N30 Y31 F36 L37	E29-N33 WeakPolarHBondContact O-CB 3.44Å; E29-N33 PolarHBondContact O-N 3.46Å; E29-N33 PolarHBondContact O-ND2 2.97Å; E29-N33 VanDerWaalsContact O-ND2 3.11Å; N30-N33 WeakPolarHBondContact O-CB 2.94Å; N30-N33 PolarHBondContact O-N 3.27Å; Y31-N33 VanDerWaalsContact C-N 3.27Å; Y31-N33 PolarHBondContact O-N 3.05Å; N33-F36 WeakPolarHBondContact O-CB 3.45Å; N33-F36 PolarHBondContact O-N 2.85Å; N33-L37 WeakPolarHBondContact O-CB 3.47Å; N33-L37 WeakPolarHBondContact O-CG 3.48Å; N33-L37 PolarHBondContact O-N 3.47Å
34	L	49.2	Very low	52.8	Low	39 Å²	39	77.1 Å²	77.1	20%	0.204	42%	0.415	C	S	.	.	H	α-helix	trans	-65.8	-38.5	176	-69.3	170.9	0	0	0	112.5	V3 N30 Y31 L37 G38 I39 A40	V3-L34 HydrophobicContact CB-CD1 3.96Å; V3-L34 HydrophobicContact CG1-CD1 3.68Å; V3-L34 HydrophobicContact CG2-CD1 3.73Å; N30-L34 WeakPolarHBondContact O-CG 3.39Å; N30-L34 PolarHBondContact O-N 3.26Å; Y31-L34 PolarHBondContact O-N 3.1Å; Y31-L34 VanDerWaalsContact O-N 3.14Å; L34-L37 PolarHBondContact O-N 3.11Å; L34-G38 PolarHBondContact O-N 3.01Å; L34-G38 VanDerWaalsContact O-N 3.09Å; L34-I39 HydrophobicContact CD2-CB 4.31Å; L34-I39 HydrophobicContact CD2-CD1 4.23Å; L34-I39 HydrophobicContact CD2-CG2 4.3Å; L34-I39 PolarHBondContact O-N 3.04Å; L34-A40 HydrophobicContact CB-CB 4.11Å; L34-A40 PolarHBondContact O-N 3.44Å
35	V	49.7	Very low	52.4	Low	61 Å²	61	81 Å²	81	37%	0.37	44%	0.439	S	S	.	.	H	α-helix	trans	-65.6	-42.1	172.1	172.9	0	0	0	0	110.8	Y31 R32 L37 G38 A40	Y31-V35 HydrophobicContact CD1-CG2 4.15Å; Y31-V35 HydrophobicContact CD2-CG2 4.35Å; Y31-V35 HydrophobicContact CE1-CG2 3.64Å; Y31-V35 HydrophobicContact CE2-CG2 3.85Å; Y31-V35 HydrophobicContact CG-CG2 4.48Å; Y31-V35 VanDerWaalsContact CZ-CG2 3.46Å; Y31-V35 WeakPolarHBondContact O-CG2 3.47Å; Y31-V35 PolarHBondContact O-N 3.46Å; R32-V35 PolarHBondContact O-N 2.86Å; V35-L37 VanDerWaalsContact C-N 3.31Å; V35-L37 PolarHBondContact O-N 2.9Å; V35-G38 PolarHBondContact O-N 3.45Å; V35-A40 HydrophobicContact CG2-CB 4.05Å
36	F	42.9	Very low	52.7	Low	175 Å²	175	76.5 Å²	76.5	77%	0.768	42%	0.415	S	S	*	.	H	α-helix	trans	-62.5	-37.8	176.4	180	-96.9	0	0	0	112.3	R32 N33 G38	R32-F36 VanDerWaalsContact O-CB 3.28Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 PolarHBondContact O-N 3.14Å; N33-F36 WeakPolarHBondContact O-CB 3.45Å; N33-F36 PolarHBondContact O-N 2.85Å; F36-G38 PolarHBondContact O-N 3.26Å
37	L	43.4	Very low	53.2	Low	118 Å²	118	74.5 Å²	74.5	62%	0.618	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7	175.1	-66	171.8	0	0	0	113.2	N33 L34 V35 I39	N33-L37 WeakPolarHBondContact O-CB 3.47Å; N33-L37 WeakPolarHBondContact O-CG 3.48Å; N33-L37 PolarHBondContact O-N 3.47Å; L34-L37 PolarHBondContact O-N 3.11Å; V35-L37 VanDerWaalsContact C-N 3.31Å; V35-L37 PolarHBondContact O-N 2.9Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 HydrophobicContact CB-CD1 3.8Å; L37-I39 HydrophobicContact CB-CG1 3.99Å; L37-I39 HydrophobicContact CD1-CD1 4.19Å
38	G	38.9	Very low	53.4	Low	61 Å²	61	75.9 Å²	75.9	63%	0.629	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	21	178.8	0	0	0	0	0	114.5	L34 V35 F36	L34-G38 PolarHBondContact O-N 3.01Å; L34-G38 VanDerWaalsContact O-N 3.09Å; V35-G38 PolarHBondContact O-N 3.45Å; F36-G38 PolarHBondContact O-N 3.26Å
39	I	43.4	Very low	53.5	Low	111 Å²	111	75.7 Å²	75.7	57%	0.569	41%	0.412	S	S	*	.			trans	-91.1	-35.4	-175.8	-60.5	171.5	0	0	0	111.2	L34 L37	L34-I39 HydrophobicContact CD2-CB 4.31Å; L34-I39 HydrophobicContact CD2-CD1 4.23Å; L34-I39 HydrophobicContact CD2-CG2 4.3Å; L34-I39 PolarHBondContact O-N 3.04Å; L37-I39 VanDerWaalsContact C-N 3.32Å; L37-I39 HydrophobicContact CB-CD1 3.8Å; L37-I39 HydrophobicContact CB-CG1 3.99Å; L37-I39 HydrophobicContact CD1-CD1 4.19Å
40	A	47	Very low	53.9	Low	32 Å²	32	71.8 Å²	71.8	26%	0.264	39%	0.394	S	S	.	.			trans	-86.1	119.7	177.8	0	0	0	0	0	111.1	Y31 L34 V35	Y31-A40 HydrophobicContact CD2-CB 4.44Å; Y31-A40 HydrophobicContact CE2-CB 3.93Å; L34-A40 HydrophobicContact CB-CB 4.11Å; L34-A40 PolarHBondContact O-N 3.44Å; V35-A40 HydrophobicContact CG2-CB 4.05Å
41	V	41.9	Very low	54.8	Low	144 Å²	144	72.9 Å²	72.9	87%	0.873	40%	0.397	S	S	*	.			trans	-94.5	-28.6	-178.9	-173	0	0	0	0	111.9
42	S	50.3	Low	55.3	Low	94 Å²	94	76.4 Å²	76.4	66%	0.657	41%	0.414	S	S	*	.	S	Bend	trans	-133.9	155.9	176.4	57	0	0	0	0	110.8	P44	S42-P44 WeakPolarHBondContact O-CD 3.35Å
43	K	60.2	Low	55.4	Low	79 Å²	79	71.2 Å²	71.2	34%	0.343	41%	0.412	S	S	.	.			trans	-87	118.9	178.6	-171.2	178.3	176.4	-167.4	0	109.4	Y31 I47 T48 E51	Y31-K43 HydrophobicContact CE1-CD 4.49Å; Y31-K43 HydrophobicContact CE1-CG 4Å; Y31-K43 HydrophobicContact CE2-CG 4.45Å; Y31-K43 VanDerWaalsContact OH-CA 3.24Å; Y31-K43 WeakPolarHBondContact OH-CA 3.46Å; Y31-K43 VanDerWaalsContact OH-CB 3.26Å; Y31-K43 WeakPolarHBondContact OH-CB 3.44Å; K43-I47 HydrophobicContact CD-CG2 4.47Å; K43-I47 HydrophobicContact CG-CB 4.25Å; K43-I47 HydrophobicContact CG-CG2 4.05Å; K43-T48 WeakPolarHBondContact CE-OG1 3.2Å; K43-E51 WeakPolarHBondContact CE-OE2 3.32Å; K43-E51 VanDerWaalsContact NZ-CD 3.26Å; K43-E51 IonicContact NZ-OE1 3.62Å; K43-E51 IonicContact NZ-OE2 2.56Å; K43-E51 PolarHBondContact NZ-OE2 2.99Å
44	P	66.1	Low	56.2	Low	47 Å²	47	73.4 Å²	73.4	31%	0.305	42%	0.418	S	S	.	.			trans	-65.3	148.5	177.7	-20.3	32	0	0	0	112.1	S42 L46 I47 T48	S42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-L46 PolarHBondContact O-N 3.12Å; P44-I47 HydrophobicContact CB-CG1 4.25Å; P44-I47 HydrophobicContact CG-CG1 4.15Å; P44-I47 WeakPolarHBondContact O-CB 3.22Å; P44-I47 PolarHBondContact O-N 3.5Å; P44-T48 PolarHBondContact O-N 3.5Å; P44-T48 VanDerWaalsContact O-N 3.14Å; P44-T48 PolarHBondContact O-OG1 3.16Å
45	D	55.9	Low	56.5	Low	124 Å²	124	76.7 Å²	76.7	66%	0.663	43%	0.432	S	S	*	.	H	α-helix	trans	-60.3	-35.2	-180	-63.6	-37.7	0	0	0	112.2	I47 T48 C49 M59	D45-I47 VanDerWaalsContact C-N 3.34Å; D45-I47 PolarHBondContact O-N 3.19Å; D45-T48 CarbonylContact O-C 3.57Å; D45-T48 WeakPolarHBondContact O-CA 3.28Å; D45-T48 WeakPolarHBondContact O-CB 3.2Å; D45-T48 PolarHBondContact O-N 3.34Å; D45-T48 VanDerWaalsContact O-N 3.09Å; D45-C49 PolarHBondContact O-N 2.9Å; D45-M59 HydrophobicContact CB-SD 3.8Å
46	L	62.4	Low	56.6	Low	9 Å²	9	74.8 Å²	74.8	5%	0.047	42%	0.421	C	S	.	.	H	α-helix	trans	-56.2	-44.7	171.5	-176.5	66	0	0	0	112.7	A4 E6 M27 P44 T48 C49 L50 P56 M59	A4-L46 HydrophobicContact CB-CD2 3.4Å; E6-L46 HydrophobicContact CG-CD2 4.34Å; M27-L46 HydrophobicContact CE-CD2 4.14Å; P44-L46 PolarHBondContact O-N 3.12Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 2.98Å; L46-C49 PolarHBondContact O-N 2.79Å; L46-L50 HydrophobicContact CD1-CD1 4.35Å; L46-L50 HydrophobicContact CD1-CG 4.41Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.48Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.96Å; L46-P56 HydrophobicContact CD1-CB 3.62Å; L46-M59 HydrophobicContact CD1-CE 4.05Å
47	I	67.3	Low	57.2	Low	7 Å²	7	70.1 Å²	70.1	4%	0.036	40%	0.398	C	S	.	.	H	α-helix	trans	-67.1	-36.6	178.3	-61.6	-58.3	0	0	0	110.3	M27 L28 Y31 K43 P44 D45 E51	M27-I47 HydrophobicContact CB-CD1 4.35Å; L28-I47 HydrophobicContact CD2-CG2 3.89Å; Y31-I47 HydrophobicContact CD1-CG2 3.6Å; Y31-I47 HydrophobicContact CD2-CG1 4.09Å; Y31-I47 HydrophobicContact CD2-CG2 4.47Å; Y31-I47 HydrophobicContact CE1-CG2 4.05Å; Y31-I47 HydrophobicContact CG-CB 4.47Å; Y31-I47 HydrophobicContact CG-CD1 4.33Å; Y31-I47 HydrophobicContact CG-CG1 3.97Å; Y31-I47 HydrophobicContact CG-CG2 3.83Å; K43-I47 HydrophobicContact CD-CG2 4.47Å; K43-I47 HydrophobicContact CG-CB 4.25Å; K43-I47 HydrophobicContact CG-CG2 4.05Å; P44-I47 HydrophobicContact CB-CG1 4.25Å; P44-I47 HydrophobicContact CG-CG1 4.15Å; P44-I47 WeakPolarHBondContact O-CB 3.22Å; P44-I47 PolarHBondContact O-N 3.5Å; D45-I47 VanDerWaalsContact C-N 3.34Å; D45-I47 PolarHBondContact O-N 3.19Å; I47-E51 WeakPolarHBondContact O-CG 3.37Å; I47-E51 PolarHBondContact O-N 2.96Å; I47-E51 VanDerWaalsContact O-N 3.08Å
48	T	68.5	Low	57.2	Low	38 Å²	38	71.6 Å²	71.6	23%	0.233	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-42.3	175.4	-57.9	0	0	0	0	112	K43 P44 D45 L46 E51 Q52	K43-T48 WeakPolarHBondContact CE-OG1 3.2Å; P44-T48 PolarHBondContact O-N 3.5Å; P44-T48 VanDerWaalsContact O-N 3.14Å; P44-T48 PolarHBondContact O-OG1 3.16Å; D45-T48 CarbonylContact O-C 3.57Å; D45-T48 WeakPolarHBondContact O-CA 3.28Å; D45-T48 WeakPolarHBondContact O-CB 3.2Å; D45-T48 PolarHBondContact O-N 3.34Å; D45-T48 VanDerWaalsContact O-N 3.09Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 2.98Å; T48-E51 PolarHBondContact O-N 2.81Å; T48-Q52 WeakPolarHBondContact O-CG 3.45Å; T48-Q52 PolarHBondContact O-N 3.27Å
49	C	63.2	Low	57.5	Low	21 Å²	21	72.4 Å²	72.4	14%	0.142	40%	0.395	C	S	.	.	H	α-helix	trans	-64.7	-43	174.7	-76.5	0	0	0	0	112.7	D45 L46 E51 Q52 G53 K54 M59	D45-C49 PolarHBondContact O-N 2.9Å; L46-C49 PolarHBondContact O-N 2.79Å; C49-E51 VanDerWaalsContact C-N 3.33Å; C49-E51 PolarHBondContact O-N 3.4Å; C49-Q52 PolarHBondContact O-N 3.49Å; C49-G53 PolarHBondContact O-N 3.35Å; C49-K54 PolarHBondContact O-N 2.76Å; C49-K54 VanDerWaalsContact O-N 3.1Å; C49-M59 HydrophobicContact CB-CE 3.67Å; C49-M59 HydrophobicContact CB-SD 4.32Å; C49-M59 WeakPolarHBondContact SG-CE 3.42Å; C49-M59 PolarHBondContact SG-SD 2.93Å
50	L	66.4	Low	57.1	Low	7 Å²	7	76.2 Å²	76.2	4%	0.037	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-33.8	179.1	-65.5	169.7	0	0	0	112.4	Y23 R24 M27 L28 L46 G53 P56	Y23-L50 HydrophobicContact CD1-CD2 4.41Å; Y23-L50 HydrophobicContact CE1-CD1 4.17Å; Y23-L50 HydrophobicContact CE1-CD2 4.02Å; R24-L50 HydrophobicContact CG-CD2 3.63Å; M27-L50 HydrophobicContact CB-CD1 3.78Å; M27-L50 HydrophobicContact CG-CD1 4.34Å; L28-L50 HydrophobicContact CD2-CB 4.19Å; L28-L50 HydrophobicContact CG-CB 4.5Å; L46-L50 HydrophobicContact CD1-CD1 4.35Å; L46-L50 HydrophobicContact CD1-CG 4.41Å; L46-L50 HydrophobicContact CG-CD1 4.03Å; L46-L50 HydrophobicContact CG-CG 4.48Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.96Å; L50-G53 PolarHBondContact O-N 3.44Å; L50-P56 HydrophobicContact CD2-CB 4.36Å; L50-P56 HydrophobicContact CD2-CG 4.34Å
51	E	71.7	Confident	56.4	Low	93 Å²	93	84.9 Å²	84.9	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-71.4	-31.2	173.3	-74.5	-174.9	-178.1	0	0	113.3	L28 K43 I47 T48 C49 G53	L28-E51 HydrophobicContact CD1-CG 4.29Å; L28-E51 HydrophobicContact CD2-CG 3.51Å; K43-E51 WeakPolarHBondContact CE-OE2 3.32Å; K43-E51 VanDerWaalsContact NZ-CD 3.26Å; K43-E51 IonicContact NZ-OE1 3.62Å; K43-E51 IonicContact NZ-OE2 2.56Å; K43-E51 PolarHBondContact NZ-OE2 2.99Å; I47-E51 WeakPolarHBondContact O-CG 3.37Å; I47-E51 PolarHBondContact O-N 2.96Å; I47-E51 VanDerWaalsContact O-N 3.08Å; T48-E51 PolarHBondContact O-N 2.81Å; C49-E51 VanDerWaalsContact C-N 3.33Å; C49-E51 PolarHBondContact O-N 3.4Å; E51-G53 PolarHBondContact O-N 3.03Å
52	Q	69.6	Low	55.7	Low	112 Å²	112	86.3 Å²	86.3	52%	0.523	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.7	177.2	-69.8	179.2	11.2	0	0	113.1	T48 C49 K54	T48-Q52 WeakPolarHBondContact O-CG 3.45Å; T48-Q52 PolarHBondContact O-N 3.27Å; C49-Q52 PolarHBondContact O-N 3.49Å; Q52-K54 HydrophobicContact CB-CD 4.25Å; Q52-K54 HydrophobicContact CB-CG 4.17Å; Q52-K54 PolarHBondContact O-N 3.37Å
53	G	57.6	Low	54.6	Low	53 Å²	53	89.3 Å²	89.3	55%	0.546	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	12.2	-177.4	0	0	0	0	0	113.8	C49 L50 E51	C49-G53 PolarHBondContact O-N 3.35Å; L50-G53 PolarHBondContact O-N 3.44Å; E51-G53 PolarHBondContact O-N 3.03Å
54	K	63.5	Low	52.9	Low	117 Å²	117	94.3 Å²	94.3	51%	0.509	46%	0.463	S	S	.	.			trans	-79.2	154.6	179.6	-70.1	177.6	179.1	166.9	0	110.9	C49 Q52	C49-K54 PolarHBondContact O-N 2.76Å; C49-K54 VanDerWaalsContact O-N 3.1Å; Q52-K54 HydrophobicContact CB-CD 4.25Å; Q52-K54 HydrophobicContact CB-CG 4.17Å; Q52-K54 PolarHBondContact O-N 3.37Å
55	E	56.3	Low	51.4	Low	108 Å²	108	98.6 Å²	98.6	51%	0.505	49%	0.488	S	S	.	.			trans	-74.6	124.2	177.5	-80.1	-175.6	158	0	0	110.3	W57	E55-W57 HydrophobicContact CB-CD2 3.96Å; E55-W57 HydrophobicContact CB-CE3 3.7Å; E55-W57 HydrophobicContact CB-CH2 3.32Å; E55-W57 HydrophobicContact CB-CZ2 3.56Å; E55-W57 HydrophobicContact CB-CZ3 3.31Å; E55-W57 HydrophobicContact CG-CE3 4.39Å; E55-W57 HydrophobicContact CG-CH2 3.18Å; E55-W57 HydrophobicContact CG-CZ2 3.71Å; E55-W57 HydrophobicContact CG-CZ3 3.51Å; E55-W57 PolarHBondContact O-N 3.11Å; E55-W57 VanDerWaalsContact O-N 3.11Å; E55-W57 VanDerWaalsContact OE1-CH2 3.24Å; E55-W57 WeakPolarHBondContact OE1-CH2 3.35Å; E55-W57 VanDerWaalsContact OE2-CH2 3.24Å; E55-W57 WeakPolarHBondContact OE2-CH2 3.42Å; E55-W57 WeakPolarHBondContact OE2-CZ2 3.39Å
56	P	52.6	Low	50	Low	21 Å²	21	96.6 Å²	96.6	14%	0.136	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-5.4	-164.2	21	-31.4	0	0	0	116.7	W12 L46 L50 M59	W12-P56 HydrophobicContact CD2-CG 4.31Å; W12-P56 HydrophobicContact CE3-CG 4.1Å; W12-P56 HydrophobicContact CH2-CG 3.91Å; W12-P56 HydrophobicContact CZ2-CG 4.13Å; W12-P56 HydrophobicContact CZ3-CG 3.9Å; L46-P56 HydrophobicContact CD1-CB 3.62Å; L50-P56 HydrophobicContact CD2-CB 4.36Å; L50-P56 HydrophobicContact CD2-CG 4.34Å; P56-M59 VanDerWaalsContact O-CE 3.27Å; P56-M59 WeakPolarHBondContact O-CE 3.32Å
57	W	55.8	Low	48.4	Very low	76 Å²	76	105.5 Å²	105.5	29%	0.288	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.4	-169.1	57.1	91.1	0	0	0	116	V9 W12 E55	V9-W57 HydrophobicContact CG2-CB 3.94Å; V9-W57 HydrophobicContact CG2-CG 4.02Å; W12-W57 HydrophobicContact CB-CE3 4.48Å; W12-W57 HydrophobicContact CB-CZ3 4.4Å; W12-W57 AromaticContact CD1-CE3 3.91Å; W12-W57 AromaticContact CD1-CH2 3.41Å; W12-W57 VanDerWaalsContact CD1-CH2 3.41Å; W12-W57 AromaticContact CD1-CZ3 3.06Å; W12-W57 HydrophobicContact CD2-CE3 4.41Å; W12-W57 AromaticContact CD2-CZ3 3.97Å; W12-W57 HydrophobicContact CD2-CZ3 3.97Å; W12-W57 AromaticContact CE2-CZ3 3.72Å; W12-W57 AromaticContact CG-CE3 4Å; W12-W57 HydrophobicContact CG-CE3 4Å; W12-W57 HydrophobicContact CG-CH2 4.27Å; W12-W57 AromaticContact CG-CZ3 3.56Å; W12-W57 HydrophobicContact CG-CZ3 3.56Å; W12-W57 AromaticContact NE1-CH2 3.62Å; W12-W57 AromaticContact NE1-CZ3 3.18Å; E55-W57 HydrophobicContact CB-CD2 3.96Å; E55-W57 HydrophobicContact CB-CE3 3.7Å; E55-W57 HydrophobicContact CB-CH2 3.32Å; E55-W57 HydrophobicContact CB-CZ2 3.56Å; E55-W57 HydrophobicContact CB-CZ3 3.31Å; E55-W57 HydrophobicContact CG-CE3 4.39Å; E55-W57 HydrophobicContact CG-CH2 3.18Å; E55-W57 HydrophobicContact CG-CZ2 3.71Å; E55-W57 HydrophobicContact CG-CZ3 3.51Å; E55-W57 PolarHBondContact O-N 3.11Å; E55-W57 VanDerWaalsContact O-N 3.11Å; E55-W57 VanDerWaalsContact OE1-CH2 3.24Å; E55-W57 WeakPolarHBondContact OE1-CH2 3.35Å; E55-W57 VanDerWaalsContact OE2-CH2 3.24Å; E55-W57 WeakPolarHBondContact OE2-CH2 3.42Å; E55-W57 WeakPolarHBondContact OE2-CZ2 3.39Å
58	N	43.3	Very low	46.4	Very low	150 Å²	150	110.8 Å²	110.8	80%	0.802	56%	0.562	S	S	*	*			trans	-112.6	46.5	-175.8	-122.5	8.8	0	0	0	113.2
59	M	44	Very low	44.3	Very low	78 Å²	78	114.7 Å²	114.7	38%	0.384	59%	0.589	S	S	.	*			trans	-112.1	113.4	177	-79.2	177.5	-91.2	0	0	110.9	D45 L46 C49 P56	D45-M59 HydrophobicContact CB-SD 3.8Å; L46-M59 HydrophobicContact CD1-CE 4.05Å; C49-M59 HydrophobicContact CB-CE 3.67Å; C49-M59 HydrophobicContact CB-SD 4.32Å; C49-M59 WeakPolarHBondContact SG-CE 3.42Å; C49-M59 PolarHBondContact SG-SD 2.93Å; P56-M59 VanDerWaalsContact O-CE 3.27Å; P56-M59 WeakPolarHBondContact O-CE 3.32Å
60	E	35.5	Very low	42.7	Very low	191 Å²	191	117.5 Å²	117.5	89%	0.893	62%	0.621	S	S	*	*			trans	-69.8	138.9	170.2	-95.2	-177.1	158.7	0	0	111.1	H62	E60-H62 PolarHBondContact O-N 3.36Å
61	R	31.6	Very low	40.7	Very low	214 Å²	214	125.9 Å²	125.9	81%	0.808	66%	0.662	S	S	*	*			trans	-77	115.7	-176.5	-163.4	-163.3	-49.5	-159.4	3.4	109.9
62	H	28.4	Very low	38.5	Very low	174 Å²	174	126.6 Å²	126.6	81%	0.806	68%	0.676	S	S	*	*			trans	-91.7	109.9	155.8	-82.5	-70.8	0	0	0	109.1	E60 M64	E60-H62 PolarHBondContact O-N 3.36Å; H62-M64 PolarHBondContact O-N 2.87Å
63	E	27.2	Very low	36.3	Very low	157 Å²	157	126.5 Å²	126.5	73%	0.734	69%	0.686	S	S	*	*			trans	-62.3	105.6	166.9	-81	-171.8	154.3	0	0	109.5	V65	E63-V65 PolarHBondContact O-N 3.2Å
64	M	24.9	Very low	34.8	Very low	183 Å²	183	133.4 Å²	133.4	90%	0.901	70%	0.697	S	S	*	*			trans	-83.7	93	162.7	-69.5	-161.4	105.4	0	0	109.2	H62 A66	H62-M64 PolarHBondContact O-N 2.87Å; M64-A66 PolarHBondContact O-N 2.92Å; M64-A66 VanDerWaalsContact O-N 3.15Å
65	V	33.4	Very low	32.9	Very low	137 Å²	137	134.4 Å²	134.4	83%	0.83	70%	0.702	S	S	*	*			trans	-68.7	99	156.4	178.1	0	0	0	0	107.7	E63	E63-V65 PolarHBondContact O-N 3.2Å
66	A	27.7	Very low	31.7	Very low	83 Å²	83	133.3 Å²	133.3	69%	0.686	71%	0.711	S	S	*	*			trans	-149.5	120.7	160.7	0	0	0	0	0	109.8	M64	M64-A66 PolarHBondContact O-N 2.92Å; M64-A66 VanDerWaalsContact O-N 3.15Å
67	K	27.3	Very low	30.7	Very low	196 Å²	196	138.3 Å²	138.3	85%	0.852	73%	0.733	S	S	*	*			trans	-45.8	140.4	170.4	-77.2	173.1	175	173.5	0	110.3	P69	K67-P69 WeakPolarHBondContact O-CD 3.17Å
68	P	25.1	Very low	29.7	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	76%	0.76	S	S	*	*			trans	-63.6	130.3	173.6	-7	20	0	0	0	109.2	G70	P68-G70 PolarHBondContact O-N 3.47Å
69	P	25.7	Very low	29.1	Very low	121 Å²	121	141.8 Å²	141.8	79%	0.786	76%	0.757	S	S	*	*			trans	-60.9	125.2	159.3	-13.3	27.2	0	0	0	107.1	K67 M71	K67-P69 WeakPolarHBondContact O-CD 3.17Å; P69-M71 PolarHBondContact O-N 3.24Å
70	G	29.8	Very low	28.4	Very low	79 Å²	79	145.7 Å²	145.7	81%	0.814	77%	0.767	S	S	*	*			trans	-45.2	109	-178.6	0	0	0	0	0	111.6	P68 C72	P68-G70 PolarHBondContact O-N 3.47Å; G70-C72 PolarHBondContact O-N 3.39Å
71	M	24.6	Very low	28.2	Very low	184 Å²	184	140.4 Å²	140.4	91%	0.906	75%	0.749	S	S	*	*			trans	-80.8	94.3	-178.4	-150.5	168.9	60.3	0	0	107.7	P69 C73	P69-M71 PolarHBondContact O-N 3.24Å; M71-C73 PolarHBondContact O-N 3.17Å
72	C	24.6	Very low	28.3	Very low	107 Å²	107	136 Å²	136	72%	0.723	74%	0.738	S	S	*	*			trans	-62.5	115.1	177	-171.6	0	0	0	0	109.9	G70	G70-C72 PolarHBondContact O-N 3.39Å
73	C	24.1	Very low	28.5	Very low	110 Å²	110	135.4 Å²	135.4	74%	0.743	74%	0.735	S	S	*	*			trans	-86.6	105.6	179.8	44.6	0	0	0	0	110.7	M71	M71-C73 PolarHBondContact O-N 3.17Å
74	Y	24.8	Very low	28.8	Very low	198 Å²	198	131 Å²	131	78%	0.776	72%	0.722	S	S	*	*			trans	-139.8	105.9	156.3	-78	-78.5	0	0	0	107.9
75	F	24.6	Very low	29.2	Very low	139 Å²	139	126.9 Å²	126.9	61%	0.61	70%	0.702	S	S	*	*			trans	172.2	98.3	139.1	-88.2	-65.1	0	0	0	108.9	P163 F164	F75-P163 HydrophobicContact CE1-CB 4.36Å; F75-P163 HydrophobicContact CE1-CG 4.2Å; F75-P163 HydrophobicContact CZ-CB 4.09Å; F75-P163 HydrophobicContact CZ-CG 4.24Å; F75-F164 HydrophobicContact CD1-CZ 4.2Å; F75-F164 AromaticContact CD2-CE1 3.79Å; F75-F164 HydrophobicContact CD2-CE1 3.79Å; F75-F164 AromaticContact CD2-CZ 3.78Å; F75-F164 HydrophobicContact CD2-CZ 3.78Å; F75-F164 HydrophobicContact CE1-CE1 4.29Å; F75-F164 HydrophobicContact CE1-CE2 4.43Å; F75-F164 AromaticContact CE1-CZ 3.74Å; F75-F164 HydrophobicContact CE1-CZ 3.74Å; F75-F164 HydrophobicContact CE2-CD1 4.21Å; F75-F164 AromaticContact CE2-CE1 3.13Å; F75-F164 HydrophobicContact CE2-CE1 3.13Å; F75-F164 AromaticContact CE2-CZ 3.37Å; F75-F164 HydrophobicContact CE2-CZ 3.37Å; F75-F164 HydrophobicContact CG-CZ 4.26Å; F75-F164 HydrophobicContact CZ-CD1 4.34Å; F75-F164 AromaticContact CZ-CE1 3.43Å; F75-F164 HydrophobicContact CZ-CE1 3.43Å; F75-F164 VanDerWaalsContact CZ-CE1 3.43Å; F75-F164 HydrophobicContact CZ-CE2 4.23Å; F75-F164 AromaticContact CZ-CZ 3.34Å; F75-F164 HydrophobicContact CZ-CZ 3.34Å
76	A	31.2	Very low	29.2	Very low	85 Å²	85	125.5 Å²	125.5	70%	0.702	69%	0.685	S	S	*	*			trans	-130.4	84	153.2	0	0	0	0	0	106.7
77	Q	31.9	Very low	29.4	Very low	125 Å²	125	123.6 Å²	123.6	58%	0.584	67%	0.669	S	S	*	*	S	Bend	trans	-155.4	119.3	162.9	-104.9	158.2	40.7	0	0	108.4
78	D	33.3	Very low	29.7	Very low	161 Å²	161	117.1 Å²	117.1	86%	0.861	65%	0.649	S	S	*	*			trans	83.4	64.5	170	-56.8	-22.1	0	0	0	119.1
79	L	30.6	Very low	30.1	Very low	139 Å²	139	115.9 Å²	115.9	73%	0.728	64%	0.635	S	S	*	*			trans	-106.6	129.7	147.3	-83.5	159.2	0	0	0	110.2
80	R	29.4	Very low	30.5	Very low	160 Å²	160	115.4 Å²	115.4	60%	0.604	62%	0.622	S	S	*	*			trans	-70.1	162.9	165.1	-124.2	-162.9	179.3	-174.5	1.1	109.1	E82	R80-E82 PolarHBondContact O-N 2.84Å
81	P	31.8	Very low	30.7	Very low	80 Å²	80	119.6 Å²	119.6	52%	0.519	61%	0.614	S	S	.	*			trans	-57.3	120.3	-146	25	-35.1	0	0	0	113.2	Q83 S84	P81-Q83 PolarHBondContact O-N 2.83Å; P81-S84 PolarHBondContact O-N 3.23Å
82	E	33.3	Very low	31.1	Very low	122 Å²	122	115.8 Å²	115.8	57%	0.57	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.1	-21.5	177.5	-71.8	173.2	145.6	0	0	113.6	R80 S84 I85 K86 H149	R80-E82 PolarHBondContact O-N 2.84Å; E82-S84 VanDerWaalsContact C-N 3.31Å; E82-S84 PolarHBondContact O-N 3.47Å; E82-I85 PolarHBondContact O-N 3.37Å; E82-K86 WeakPolarHBondContact O-CB 3.5Å; E82-K86 PolarHBondContact O-N 3.37Å; E82-K86 VanDerWaalsContact O-N 3.14Å; E82-H149 IonicContact OE2-CE1 3.35Å
83	Q	33.5	Very low	31.5	Very low	161 Å²	161	115.2 Å²	115.2	75%	0.752	59%	0.585	S	S	*	*	H	α-helix	trans	-60.5	-32.4	173.3	-86.6	165.9	-17.6	0	0	114	P81 A87	P81-Q83 PolarHBondContact O-N 2.83Å; Q83-A87 WeakPolarHBondContact O-CB 3.49Å; Q83-A87 PolarHBondContact O-N 2.8Å
84	S	32.3	Very low	32	Very low	64 Å²	64	115.1 Å²	115.1	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-75.5	-32.7	-176.8	-177.9	0	0	0	0	113.1	P81 E82 S88	P81-S84 PolarHBondContact O-N 3.23Å; E82-S84 VanDerWaalsContact C-N 3.31Å; E82-S84 PolarHBondContact O-N 3.47Å; S84-S88 WeakPolarHBondContact O-CB 3.44Å; S84-S88 PolarHBondContact O-N 2.9Å; S84-S88 VanDerWaalsContact O-N 3.16Å; S84-S88 PolarHBondContact O-OG 3.07Å
85	I	33.7	Very low	32.2	Very low	96 Å²	96	114 Å²	114	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-80.6	-42.2	179	-62.6	173.3	0	0	0	109.1	E82 A87 S88 L89	E82-I85 PolarHBondContact O-N 3.37Å; I85-A87 PolarHBondContact O-N 3.35Å; I85-S88 PolarHBondContact O-N 3.17Å; I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 PolarHBondContact O-N 3.49Å
86	K	33.8	Very low	32.4	Very low	109 Å²	109	113.3 Å²	113.3	47%	0.474	57%	0.567	S	S	.	*	H	α-helix	trans	-56.4	-46.2	171.7	-169	171.2	-176.3	170.1	0	111.5	E82 Q90 D142	E82-K86 WeakPolarHBondContact O-CB 3.5Å; E82-K86 PolarHBondContact O-N 3.37Å; E82-K86 VanDerWaalsContact O-N 3.14Å; K86-Q90 WeakPolarHBondContact O-CB 3.38Å; K86-Q90 PolarHBondContact O-N 3.47Å; K86-D142 IonicContact NZ-OD1 3.72Å; K86-D142 PolarHBondContact NZ-OD1 3.3Å
87	A	32.9	Very low	32.5	Very low	42 Å²	42	115.4 Å²	115.4	35%	0.347	56%	0.558	S	S	.	*	H	α-helix	trans	-69.6	-32.1	178.2	0	0	0	0	0	113.7	Q83 I85 R91	Q83-A87 WeakPolarHBondContact O-CB 3.49Å; Q83-A87 PolarHBondContact O-N 2.8Å; I85-A87 PolarHBondContact O-N 3.35Å; A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.01Å; A87-R91 WeakPolarHBondContact O-CG 3.14Å; A87-R91 PolarHBondContact O-N 2.78Å
88	S	33.6	Very low	32.4	Very low	60 Å²	60	116.2 Å²	116.2	42%	0.42	56%	0.562	S	S	.	*	H	α-helix	trans	-75	-41.3	178.6	-62.5	0	0	0	0	112	S84 I85 R91 I92	S84-S88 WeakPolarHBondContact O-CB 3.44Å; S84-S88 PolarHBondContact O-N 2.9Å; S84-S88 VanDerWaalsContact O-N 3.16Å; S84-S88 PolarHBondContact O-OG 3.07Å; I85-S88 PolarHBondContact O-N 3.17Å; S88-R91 PolarHBondContact O-N 3.26Å; S88-I92 WeakPolarHBondContact O-CB 3.45Å; S88-I92 WeakPolarHBondContact O-CD1 3.46Å; S88-I92 VanDerWaalsContact O-CG1 3.23Å; S88-I92 WeakPolarHBondContact O-CG1 3.26Å; S88-I92 PolarHBondContact O-N 3.37Å
89	L	32.3	Very low	32.3	Very low	91 Å²	91	116.9 Å²	116.9	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-43.3	174.8	-81.2	158.5	0	0	0	111.5	I85 R91 I92 I93	I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 PolarHBondContact O-N 3.49Å; L89-R91 PolarHBondContact O-N 3.43Å; L89-I92 PolarHBondContact O-N 3.25Å; L89-I93 WeakPolarHBondContact O-CB 3.28Å; L89-I93 WeakPolarHBondContact O-CD1 3.23Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.15Å; L89-I93 PolarHBondContact O-N 3.24Å
90	Q	35.3	Very low	32.4	Very low	111 Å²	111	113.7 Å²	113.7	52%	0.519	55%	0.546	S	S	.	.	H	α-helix	trans	-59.6	-42.8	171.9	-89.7	179.1	-34.4	0	0	112	K86 L94	K86-Q90 WeakPolarHBondContact O-CB 3.38Å; K86-Q90 PolarHBondContact O-N 3.47Å; Q90-L94 WeakPolarHBondContact O-CB 3.29Å; Q90-L94 WeakPolarHBondContact O-CD1 3.41Å; Q90-L94 WeakPolarHBondContact O-CG 3.31Å; Q90-L94 PolarHBondContact O-N 3.02Å
91	R	33.3	Very low	32.5	Very low	168 Å²	168	108 Å²	108	63%	0.634	54%	0.536	S	S	*	.	H	α-helix	trans	-66.2	-37	176.3	-91.1	-179.1	-179.5	161.5	0.9	113.6	A87 S88 L89 R95	A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.01Å; A87-R91 WeakPolarHBondContact O-CG 3.14Å; A87-R91 PolarHBondContact O-N 2.78Å; S88-R91 PolarHBondContact O-N 3.26Å; L89-R91 PolarHBondContact O-N 3.43Å; R91-R95 VanDerWaalsContact O-CB 3.25Å; R91-R95 WeakPolarHBondContact O-CB 3.42Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.32Å; R91-R95 PolarHBondContact O-N 3.26Å
92	I	32.6	Very low	32.4	Very low	104 Å²	104	111.4 Å²	111.4	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-70.1	-41.6	179	-72.6	161.5	0	0	0	110.5	S88 L89 K96	S88-I92 WeakPolarHBondContact O-CB 3.45Å; S88-I92 WeakPolarHBondContact O-CD1 3.46Å; S88-I92 VanDerWaalsContact O-CG1 3.23Å; S88-I92 WeakPolarHBondContact O-CG1 3.26Å; S88-I92 PolarHBondContact O-N 3.37Å; L89-I92 PolarHBondContact O-N 3.25Å; I92-K96 PolarHBondContact O-N 3.4Å
93	I	32.9	Very low	32.3	Very low	94 Å²	94	113.8 Å²	113.8	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-51.2	175.9	-65.9	166.9	0	0	0	109.3	L89 R95 K96 Y97	L89-I93 WeakPolarHBondContact O-CB 3.28Å; L89-I93 WeakPolarHBondContact O-CD1 3.23Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.15Å; L89-I93 PolarHBondContact O-N 3.24Å; I93-R95 PolarHBondContact O-N 3.28Å; I93-K96 PolarHBondContact O-N 2.93Å; I93-Y97 HydrophobicContact CG2-CD2 3.96Å; I93-Y97 HydrophobicContact CG2-CE2 3.98Å; I93-Y97 WeakPolarHBondContact O-CD2 3.49Å; I93-Y97 PolarHBondContact O-N 3.13Å
94	L	34.3	Very low	32.3	Very low	109 Å²	109	112.8 Å²	112.8	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-60	-40.3	178.7	-74.8	163	0	0	0	113.4	Q90 K96 Y97 E98	Q90-L94 WeakPolarHBondContact O-CB 3.29Å; Q90-L94 WeakPolarHBondContact O-CD1 3.41Å; Q90-L94 WeakPolarHBondContact O-CG 3.31Å; Q90-L94 PolarHBondContact O-N 3.02Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 2.81Å; L94-Y97 PolarHBondContact O-N 2.81Å; L94-E98 PolarHBondContact O-N 3.46Å
95	R	30.6	Very low	32.3	Very low	173 Å²	173	116 Å²	116	65%	0.653	57%	0.567	S	S	*	*	H	α-helix	trans	-67.5	-27.2	178	-81.7	-173.6	-178.8	-163.4	0.9	114.4	R91 I93	R91-R95 VanDerWaalsContact O-CB 3.25Å; R91-R95 WeakPolarHBondContact O-CB 3.42Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.32Å; R91-R95 PolarHBondContact O-N 3.26Å; I93-R95 PolarHBondContact O-N 3.28Å
96	K	28.4	Very low	32.2	Very low	126 Å²	126	120.2 Å²	120.2	55%	0.548	59%	0.585	S	S	.	*	H	α-helix	trans	-77.2	-37.1	173	-92.7	-175.5	175.5	178.6	0	110.8	E29 I92 I93 L94	E29-K96 IonicContact OE1-NZ 3.76Å; E29-K96 IonicContact OE2-NZ 3.38Å; E29-K96 PolarHBondContact OE2-NZ 3.48Å; I92-K96 PolarHBondContact O-N 3.4Å; I93-K96 PolarHBondContact O-N 2.93Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 2.81Å
97	Y	32.2	Very low	32.1	Very low	128 Å²	128	122.8 Å²	122.8	50%	0.502	60%	0.603	S	S	.	*	H	α-helix	trans	-72.4	-34.8	176.1	-82.8	-86	0	0	0	113.3	L22 I93 L94 K99 C100 G101	L22-Y97 HydrophobicContact CD2-CE1 4.23Å; I93-Y97 HydrophobicContact CG2-CD2 3.96Å; I93-Y97 HydrophobicContact CG2-CE2 3.98Å; I93-Y97 WeakPolarHBondContact O-CD2 3.49Å; I93-Y97 PolarHBondContact O-N 3.13Å; L94-Y97 PolarHBondContact O-N 2.81Å; Y97-K99 VanDerWaalsContact C-N 3.3Å; Y97-K99 PolarHBondContact O-N 3.05Å; Y97-C100 WeakPolarHBondContact O-CB 3.47Å; Y97-C100 PolarHBondContact O-N 3.14Å; Y97-C100 VanDerWaalsContact O-N 3.08Å; Y97-G101 PolarHBondContact O-N 3.16Å
98	E	29.9	Very low	32.2	Very low	142 Å²	142	130.3 Å²	130.3	66%	0.664	63%	0.628	S	S	*	*	H	α-helix	trans	-60.1	-36.8	173.5	-108.5	178.3	165.3	0	0	112.8	L94 C100 G101	L94-E98 PolarHBondContact O-N 3.46Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.43Å; E98-G101 PolarHBondContact O-N 3.27Å
99	K	30.9	Very low	32.2	Very low	175 Å²	175	137.8 Å²	137.8	76%	0.761	65%	0.653	S	S	*	*	H	α-helix	trans	-72.1	-21.6	176	-76.4	-173.2	174.5	-170.3	0	113.5	Y97	Y97-K99 VanDerWaalsContact C-N 3.3Å; Y97-K99 PolarHBondContact O-N 3.05Å
100	C	32.7	Very low	32.1	Very low	73 Å²	73	137.1 Å²	137.1	49%	0.493	67%	0.668	S	S	.	*	H	α-helix	trans	-78.8	-28.8	175.9	-116.1	0	0	0	0	112.4	Y97 E98 H102 H103	Y97-C100 WeakPolarHBondContact O-CB 3.47Å; Y97-C100 PolarHBondContact O-N 3.14Å; Y97-C100 VanDerWaalsContact O-N 3.08Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.43Å; C100-H102 PolarHBondContact O-N 3.24Å; C100-H103 PolarHBondContact O-N 2.91Å
101	G	31.6	Very low	32.2	Very low	39 Å²	39	141.2 Å²	141.2	40%	0.402	68%	0.68	S	S	.	*	H	α-helix	trans	-63.9	-37.4	179.6	0	0	0	0	0	113.7	Y97 E98 L105	Y97-G101 PolarHBondContact O-N 3.16Å; E98-G101 PolarHBondContact O-N 3.27Å; G101-L105 WeakPolarHBondContact O-CD1 3.35Å
102	H	31.1	Very low	32.4	Very low	153 Å²	153	143.1 Å²	143.1	71%	0.708	69%	0.693	S	S	*	*	H	α-helix	trans	-77.2	-22.8	-178.2	-95.4	-74.6	0	0	0	114.5	C100	C100-H102 PolarHBondContact O-N 3.24Å
103	H	31.1	Very low	32.7	Very low	171 Å²	171	141.1 Å²	141.1	79%	0.792	69%	0.688	S	S	*	*	H	α-helix	trans	-81.2	-19.5	-179	-134.6	34.1	0	0	0	113.1	C100	C100-H103 PolarHBondContact O-N 2.91Å
104	N	32	Very low	32.9	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	3.9	176	-70.5	-20.7	0	0	0	113.9
105	L	32.9	Very low	33.2	Very low	132 Å²	132	142.3 Å²	142.3	69%	0.691	70%	0.7	S	S	*	*			trans	-97.7	9	-178.1	-100.2	159.7	0	0	0	114.4	G101 L107	G101-L105 WeakPolarHBondContact O-CD1 3.35Å; L105-L107 PolarHBondContact O-N 3.48Å
106	Q	31.2	Very low	33.4	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	70%	0.695	S	S	*	*			trans	-97.2	62.7	169.6	-74.2	-159	-1.1	0	0	112.3
107	L	31.8	Very low	33.7	Very low	163 Å²	163	141.4 Å²	141.4	85%	0.853	70%	0.699	S	S	*	*			trans	-133.4	66.2	158.9	-82.8	168.1	0	0	0	109	L105	L105-L107 PolarHBondContact O-N 3.48Å
108	K	36.5	Very low	33.7	Very low	201 Å²	201	142.8 Å²	142.8	87%	0.874	71%	0.708	S	S	*	*			trans	-121.1	92.4	159.6	-114.5	-173.4	-178.3	-178.7	0	107.5
109	K	32.2	Very low	34.1	Very low	216 Å²	216	141.7 Å²	141.7	94%	0.939	71%	0.71	S	S	*	*	S	Bend	trans	-165.2	108.6	156.4	-107.3	167.4	-173.6	-173.4	0	110.7
110	G	30	Very low	34.2	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	70%	0.703	S	S	*	*			trans	74.9	98	154.4	0	0	0	0	0	118.2
111	Y	37.2	Very low	34.1	Very low	198 Å²	198	142.6 Å²	142.6	78%	0.776	71%	0.708	S	S	*	*			trans	-86.3	148.7	165.5	-65.6	-79.1	0	0	0	111.2
112	K	38.5	Very low	34.1	Very low	208 Å²	208	143.2 Å²	143.2	90%	0.904	71%	0.714	S	S	*	*			trans	-131.8	13.4	172.1	-78.8	-166.9	177.6	-176.7	0	116.1
113	S	37.9	Very low	34.2	Very low	61 Å²	61	140 Å²	140	43%	0.427	71%	0.709	S	S	.	*			trans	-160.7	150.1	171.4	172.8	0	0	0	0	114.1	D115	S113-D115 VanDerWaalsContact C-N 3.34Å; S113-D115 PolarHBondContact OG-N 3.48Å; S113-D115 VanDerWaalsContact OG-N 3.15Å
114	V	37.1	Very low	34.1	Very low	115 Å²	115	139.6 Å²	139.6	70%	0.697	70%	0.701	S	S	*	*	S	Bend	trans	-75.2	-19.8	174.9	172.2	0	0	0	0	112.3	Y117	V114-Y117 WeakPolarHBondContact O-CB 3.25Å; V114-Y117 PolarHBondContact O-N 3.48Å
115	D	41.4	Very low	34.1	Very low	114 Å²	114	138 Å²	138	61%	0.61	69%	0.693	S	S	*	*	H	α-helix	trans	-80	-20.9	179	-69.4	-42.9	0	0	0	113.3	S113 Y117	S113-D115 VanDerWaalsContact C-N 3.34Å; S113-D115 PolarHBondContact OG-N 3.48Å; S113-D115 VanDerWaalsContact OG-N 3.15Å; D115-Y117 VanDerWaalsContact C-N 3.26Å; D115-Y117 PolarHBondContact O-N 3.2Å
116	E	35.5	Very low	34	Very low	116 Å²	116	133.6 Å²	133.6	54%	0.542	68%	0.679	S	S	.	*	H	α-helix	trans	-69.8	-22.5	169.7	-74.6	-179.3	146.3	0	0	112.6
117	Y	33.8	Very low	34	Very low	164 Å²	164	130.9 Å²	130.9	64%	0.643	67%	0.665	S	S	*	*	H	α-helix	trans	-74.3	-29.3	179.9	-173.8	-99.5	0	0	0	113	V114 D115	V114-Y117 WeakPolarHBondContact O-CB 3.25Å; V114-Y117 PolarHBondContact O-N 3.48Å; D115-Y117 VanDerWaalsContact C-N 3.26Å; D115-Y117 PolarHBondContact O-N 3.2Å
118	K	33	Very low	34.1	Very low	156 Å²	156	127 Å²	127	68%	0.678	65%	0.645	S	S	*	*	H	α-helix	trans	-81	-34.3	-178	-77.3	179.9	180	171.8	0	113.2	H120 K121	K118-H120 VanDerWaalsContact C-N 3.34Å; K118-K121 PolarHBondContact O-N 3.26Å
119	V	37	Very low	34	Very low	119 Å²	119	123.7 Å²	123.7	72%	0.721	63%	0.633	S	S	*	*	H	α-helix	trans	-69.9	-33.5	175.6	-178.7	0	0	0	0	111.1	K121	V119-K121 PolarHBondContact O-N 2.93Å
120	H	34	Very low	34	Very low	131 Å²	131	116.8 Å²	116.8	61%	0.606	61%	0.61	S	S	*	*	H	α-helix	trans	-74.2	-23.2	178.9	-123.9	-58.9	0	0	0	114.4	K118 Y124	K118-H120 VanDerWaalsContact C-N 3.34Å; H120-Y124 PolarHBondContact O-N 3.26Å; H120-Y124 VanDerWaalsContact O-N 3.15Å
121	K	29.7	Very low	34.3	Very low	136 Å²	136	116.9 Å²	116.9	59%	0.591	59%	0.592	S	S	*	*	H	α-helix	trans	-73.4	-27.7	178.9	-156.2	174	-176.5	179.5	0	112.7	K118 V119	K118-K121 PolarHBondContact O-N 3.26Å; V119-K121 PolarHBondContact O-N 2.93Å
122	G	32.7	Very low	34.2	Very low	52 Å²	52	111.1 Å²	111.1	54%	0.536	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-43.2	171.8	0	0	0	0	0	112.9	Y124 N125 G126	G122-Y124 PolarHBondContact O-N 3.22Å; G122-N125 PolarHBondContact O-N 3.38Å; G122-G126 PolarHBondContact O-N 3.03Å
123	S	33.6	Very low	33.9	Very low	85 Å²	85	104.2 Å²	104.2	59%	0.594	55%	0.553	S	S	*	*	H	α-helix	trans	-68.3	-32	177.7	-108.6	0	0	0	0	113.5	F127	S123-F127 WeakPolarHBondContact O-CB 3.33Å; S123-F127 PolarHBondContact O-N 3.04Å
124	Y	28.9	Very low	33.6	Very low	164 Å²	164	104.8 Å²	104.8	64%	0.643	55%	0.554	S	S	*	*	H	α-helix	trans	-71.4	-30.9	177.9	-139.3	-94.1	0	0	0	113	H120 G122 N128	H120-Y124 PolarHBondContact O-N 3.26Å; H120-Y124 VanDerWaalsContact O-N 3.15Å; G122-Y124 PolarHBondContact O-N 3.22Å; Y124-N128 PolarHBondContact O-N 3.18Å
125	N	31	Very low	33.6	Very low	107 Å²	107	104.3 Å²	104.3	57%	0.572	55%	0.545	S	S	*	.	H	α-helix	trans	-75.3	-39.8	173.7	-87	-3.2	0	0	0	112	G122 F127 N128 Q129	G122-N125 PolarHBondContact O-N 3.38Å; N125-F127 PolarHBondContact O-N 3.24Å; N125-N128 PolarHBondContact O-N 2.93Å; N125-Q129 VanDerWaalsContact O-CB 3.32Å; N125-Q129 WeakPolarHBondContact O-CB 3.44Å; N125-Q129 PolarHBondContact O-N 3.27Å
126	G	31.1	Very low	33.2	Very low	39 Å²	39	102.5 Å²	102.5	40%	0.402	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-38.8	173.8	0	0	0	0	0	113.2	G122 Q129 C130	G122-G126 PolarHBondContact O-N 3.03Å; G126-Q129 PolarHBondContact O-N 3.46Å; G126-C130 WeakPolarHBondContact O-CB 2.94Å; G126-C130 PolarHBondContact O-N 3.47Å
127	F	31.3	Very low	33.2	Very low	127 Å²	127	103.1 Å²	103.1	56%	0.557	54%	0.541	S	S	*	.	H	α-helix	trans	-67.4	-41.1	177.2	-155.9	-92.5	0	0	0	112.5	S123 N125 L131	S123-F127 WeakPolarHBondContact O-CB 3.33Å; S123-F127 PolarHBondContact O-N 3.04Å; N125-F127 PolarHBondContact O-N 3.24Å; F127-L131 VanDerWaalsContact O-CB 3.25Å; F127-L131 WeakPolarHBondContact O-CB 3.5Å; F127-L131 PolarHBondContact O-N 2.75Å
128	N	33.7	Very low	33.1	Very low	80 Å²	80	100.8 Å²	100.8	43%	0.428	54%	0.539	S	S	.	.	H	α-helix	trans	-68.3	-34.4	174.1	-91.4	-31.5	0	0	0	112.7	Y124 N125 T132	Y124-N128 PolarHBondContact O-N 3.18Å; N125-N128 PolarHBondContact O-N 2.93Å; N128-T132 WeakPolarHBondContact O-CB 3.32Å; N128-T132 PolarHBondContact O-N 3.16Å; N128-T132 PolarHBondContact O-OG1 3.16Å
129	Q	34.3	Very low	33.2	Very low	133 Å²	133	100.6 Å²	100.6	62%	0.621	54%	0.538	S	S	*	.	H	α-helix	trans	-73	-36.9	177.9	-156.6	160.6	14.9	0	0	111.9	N125 G126 T132 T133	N125-Q129 VanDerWaalsContact O-CB 3.32Å; N125-Q129 WeakPolarHBondContact O-CB 3.44Å; N125-Q129 PolarHBondContact O-N 3.27Å; G126-Q129 PolarHBondContact O-N 3.46Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.37Å; Q129-T132 PolarHBondContact O-OG1 3Å; Q129-T133 VanDerWaalsContact O-CB 3.24Å; Q129-T133 WeakPolarHBondContact O-CB 3.33Å; Q129-T133 PolarHBondContact O-N 3.46Å; Q129-T133 PolarHBondContact O-OG1 2.79Å
130	C	33.2	Very low	32.9	Very low	70 Å²	70	101.2 Å²	101.2	47%	0.473	53%	0.533	S	S	.	.	H	α-helix	trans	-69.6	-39.3	172.2	-165.7	0	0	0	0	111.9	G126 T133 T134	G126-C130 WeakPolarHBondContact O-CB 2.94Å; G126-C130 PolarHBondContact O-N 3.47Å; C130-T133 PolarHBondContact O-N 3.27Å; C130-T134 VanDerWaalsContact O-CB 3.27Å; C130-T134 WeakPolarHBondContact O-CB 3.49Å; C130-T134 PolarHBondContact O-N 3.09Å; C130-T134 PolarHBondContact O-OG1 3.44Å
131	L	35.5	Very low	32.7	Very low	80 Å²	80	99.2 Å²	99.2	42%	0.419	53%	0.533	S	S	.	.	H	α-helix	trans	-66.5	-41.9	175.6	-166.3	76.5	0	0	0	112.1	F127 T134 Q135	F127-L131 VanDerWaalsContact O-CB 3.25Å; F127-L131 WeakPolarHBondContact O-CB 3.5Å; F127-L131 PolarHBondContact O-N 2.75Å; L131-T134 PolarHBondContact O-N 2.84Å; L131-Q135 VanDerWaalsContact O-CB 3.32Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 VanDerWaalsContact O-CG 3.27Å; L131-Q135 WeakPolarHBondContact O-CG 3.49Å; L131-Q135 PolarHBondContact O-N 3.36Å
132	T	34.6	Very low	32.8	Very low	76 Å²	76	96 Å²	96	47%	0.466	52%	0.522	S	S	.	.	H	α-helix	trans	-71.1	-35	175.1	37.2	0	0	0	0	112.4	N128 Q129 Q135 S136	N128-T132 WeakPolarHBondContact O-CB 3.32Å; N128-T132 PolarHBondContact O-N 3.16Å; N128-T132 PolarHBondContact O-OG1 3.16Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.37Å; Q129-T132 PolarHBondContact O-OG1 3Å; T132-Q135 PolarHBondContact O-N 3.18Å; T132-S136 WeakPolarHBondContact O-CB 3.32Å; T132-S136 PolarHBondContact O-N 3.2Å
133	T	33.6	Very low	32.7	Very low	64 Å²	64	100.8 Å²	100.8	39%	0.393	53%	0.528	S	S	.	.	H	α-helix	trans	-67.2	-38.8	173.3	-56.1	0	0	0	0	111.2	Q129 C130 K137	Q129-T133 VanDerWaalsContact O-CB 3.24Å; Q129-T133 WeakPolarHBondContact O-CB 3.33Å; Q129-T133 PolarHBondContact O-N 3.46Å; Q129-T133 PolarHBondContact O-OG1 2.79Å; C130-T133 PolarHBondContact O-N 3.27Å; T133-K137 HydrophobicContact CG2-CD 4.2Å; T133-K137 WeakPolarHBondContact O-CB 3.5Å; T133-K137 VanDerWaalsContact O-CG 3.28Å; T133-K137 WeakPolarHBondContact O-CG 3.14Å; T133-K137 PolarHBondContact O-N 3.08Å
134	T	31	Very low	32.5	Very low	73 Å²	73	105.3 Å²	105.3	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-69.2	-41.4	175.2	-56.1	0	0	0	0	111.5	C130 L131 I138	C130-T134 VanDerWaalsContact O-CB 3.27Å; C130-T134 WeakPolarHBondContact O-CB 3.49Å; C130-T134 PolarHBondContact O-N 3.09Å; C130-T134 PolarHBondContact O-OG1 3.44Å; L131-T134 PolarHBondContact O-N 2.84Å; T134-I138 HydrophobicContact CG2-CD1 4.14Å; T134-I138 WeakPolarHBondContact O-CB 3.27Å; T134-I138 WeakPolarHBondContact O-CD1 3.47Å; T134-I138 WeakPolarHBondContact O-CG1 3.46Å; T134-I138 PolarHBondContact O-N 3.17Å; T134-I138 VanDerWaalsContact O-N 3.12Å
135	Q	35.8	Very low	32.6	Very low	105 Å²	105	100.6 Å²	100.6	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-68.3	-37.6	174.7	-76.6	172.7	-16.4	0	0	112.8	L131 T132 I138 F139	L131-Q135 VanDerWaalsContact O-CB 3.32Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 VanDerWaalsContact O-CG 3.27Å; L131-Q135 WeakPolarHBondContact O-CG 3.49Å; L131-Q135 PolarHBondContact O-N 3.36Å; T132-Q135 PolarHBondContact O-N 3.18Å; Q135-I138 PolarHBondContact O-N 2.87Å; Q135-F139 PolarHBondContact O-N 3.1Å; Q135-F139 VanDerWaalsContact O-N 3.14Å
136	S	34.6	Very low	32.5	Very low	75 Å²	75	102.4 Å²	102.4	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-71.8	-37.8	178.5	-165	0	0	0	0	112.3	T132 F139 Q140	T132-S136 WeakPolarHBondContact O-CB 3.32Å; T132-S136 PolarHBondContact O-N 3.2Å; S136-F139 PolarHBondContact O-N 3.18Å; S136-Q140 PolarHBondContact O-N 3.45Å
137	K	34.4	Very low	32.4	Very low	129 Å²	129	106 Å²	106	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-31.9	172.9	-72.6	179.3	179.1	-178.9	0	112.4	T133 F139 Q140	T133-K137 HydrophobicContact CG2-CD 4.2Å; T133-K137 WeakPolarHBondContact O-CB 3.5Å; T133-K137 VanDerWaalsContact O-CG 3.28Å; T133-K137 WeakPolarHBondContact O-CG 3.14Å; T133-K137 PolarHBondContact O-N 3.08Å; K137-F139 VanDerWaalsContact C-N 3.33Å; K137-Q140 PolarHBondContact O-N 3.27Å
138	I	32.8	Very low	32.1	Very low	115 Å²	115	107.5 Å²	107.5	59%	0.59	54%	0.541	S	S	*	.	H	α-helix	trans	-67.9	-32.1	171.1	-70.4	165.7	0	0	0	111.7	T134 Q135 C141	T134-I138 HydrophobicContact CG2-CD1 4.14Å; T134-I138 WeakPolarHBondContact O-CB 3.27Å; T134-I138 WeakPolarHBondContact O-CD1 3.47Å; T134-I138 WeakPolarHBondContact O-CG1 3.46Å; T134-I138 PolarHBondContact O-N 3.17Å; T134-I138 VanDerWaalsContact O-N 3.12Å; Q135-I138 PolarHBondContact O-N 2.87Å; I138-C141 WeakPolarHBondContact O-CB 3.42Å; I138-C141 PolarHBondContact O-N 3.38Å
139	F	33.5	Very low	32.1	Very low	152 Å²	152	108.3 Å²	108.3	67%	0.667	54%	0.542	S	S	*	.	H	α-helix	trans	-74.4	-25	177.3	-104.9	-88	0	0	0	114.4	Q135 S136 K137 C141 D142	Q135-F139 PolarHBondContact O-N 3.1Å; Q135-F139 VanDerWaalsContact O-N 3.14Å; S136-F139 PolarHBondContact O-N 3.18Å; K137-F139 VanDerWaalsContact C-N 3.33Å; F139-C141 VanDerWaalsContact C-N 3.26Å; F139-C141 PolarHBondContact O-N 2.83Å; F139-D142 PolarHBondContact O-N 3.35Å
140	Q	30.8	Very low	31.8	Very low	132 Å²	132	111 Å²	111	62%	0.617	55%	0.552	S	S	*	*	H	α-helix	trans	-69.6	-23.3	174.4	-75.6	-166.1	-11.6	0	0	113.3	S136 K137 D142 K143	S136-Q140 PolarHBondContact O-N 3.45Å; K137-Q140 PolarHBondContact O-N 3.27Å; Q140-D142 PolarHBondContact O-N 3.04Å; Q140-K143 PolarHBondContact O-N 3.12Å
141	C	31.6	Very low	31.4	Very low	89 Å²	89	116.7 Å²	116.7	60%	0.601	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-26.7	174.7	-156.7	0	0	0	0	112.3	I138 F139 K143 V145	I138-C141 WeakPolarHBondContact O-CB 3.42Å; I138-C141 PolarHBondContact O-N 3.38Å; F139-C141 VanDerWaalsContact C-N 3.26Å; F139-C141 PolarHBondContact O-N 2.83Å; C141-K143 VanDerWaalsContact C-N 3.3Å; C141-K143 PolarHBondContact O-N 2.76Å; C141-V145 WeakPolarHBondContact O-CG2 3.45Å
142	D	31.5	Very low	31	Very low	68 Å²	68	116.3 Å²	116.3	36%	0.364	57%	0.573	S	S	.	*	H	α-helix	trans	-77	-14.1	178.8	-127.7	25	0	0	0	112.6	K86 F139 Q140	K86-D142 IonicContact NZ-OD1 3.72Å; K86-D142 PolarHBondContact NZ-OD1 3.3Å; F139-D142 PolarHBondContact O-N 3.35Å; Q140-D142 PolarHBondContact O-N 3.04Å
143	K	29.2	Very low	30.6	Very low	153 Å²	153	120 Å²	120	67%	0.665	59%	0.59	S	S	*	*	H	α-helix	trans	-81.4	-41.4	177.6	-158.1	177.5	-177.4	-177.9	0	112	Q140 C141 V145 K146	Q140-K143 PolarHBondContact O-N 3.12Å; C141-K143 VanDerWaalsContact C-N 3.3Å; C141-K143 PolarHBondContact O-N 2.76Å; K143-V145 VanDerWaalsContact C-N 3.26Å; K143-V145 PolarHBondContact O-N 3.16Å; K143-K146 PolarHBondContact O-N 3.41Å
144	Y	29.6	Very low	30.2	Very low	180 Å²	180	121.9 Å²	121.9	71%	0.706	61%	0.606	S	S	*	*	H	α-helix	trans	-66.4	-26.7	176.1	-76.7	-82.8	0	0	0	113.3
145	V	31.4	Very low	30	Very low	65 Å²	65	126 Å²	126	39%	0.394	63%	0.625	S	S	.	*	H	α-helix	trans	-72.4	-31.4	176.1	174.8	0	0	0	0	111.8	C141 K143 F148 H149	C141-V145 WeakPolarHBondContact O-CG2 3.45Å; K143-V145 VanDerWaalsContact C-N 3.26Å; K143-V145 PolarHBondContact O-N 3.16Å; V145-F148 PolarHBondContact O-N 2.97Å; V145-H149 PolarHBondContact O-CD2 3.5Å; V145-H149 PolarHBondContact O-N 3.45Å
146	K	29.6	Very low	29.5	Very low	146 Å²	146	131.7 Å²	131.7	64%	0.635	64%	0.642	S	S	*	*	H	α-helix	trans	-71.4	-35.2	178.9	-74.9	178.3	179.7	176.6	0	113	K143 F148 H149	K143-K146 PolarHBondContact O-N 3.41Å; K146-F148 VanDerWaalsContact C-N 3.31Å; K146-H149 PolarHBondContact O-N 3.17Å
147	D	27.5	Very low	29.4	Very low	115 Å²	115	136.6 Å²	136.6	62%	0.615	66%	0.656	S	S	*	*	H	α-helix	trans	-70.8	-30.4	176.8	-66.4	-31.1	0	0	0	111.7	H149	D147-H149 PolarHBondContact O-N 3.22Å
148	F	26.4	Very low	29	Very low	157 Å²	157	139.2 Å²	139.2	69%	0.689	67%	0.668	S	S	*	*	H	α-helix	trans	-68.3	-31.7	173.9	-141.9	-92.6	0	0	0	113.2	V145 K146 S152	V145-F148 PolarHBondContact O-N 2.97Å; K146-F148 VanDerWaalsContact C-N 3.31Å; F148-S152 PolarHBondContact O-OG 3.17Å
149	H	32.3	Very low	29.2	Very low	97 Å²	97	140.1 Å²	140.1	45%	0.449	68%	0.679	S	S	.	*	H	α-helix	trans	-73.1	-26.9	-179.9	-83.3	-64.9	0	0	0	114	E82 V145 K146 D147 F151	E82-H149 IonicContact OE2-CE1 3.35Å; V145-H149 PolarHBondContact O-CD2 3.5Å; V145-H149 PolarHBondContact O-N 3.45Å; K146-H149 PolarHBondContact O-N 3.17Å; D147-H149 PolarHBondContact O-N 3.22Å; H149-F151 VanDerWaalsContact C-N 3.29Å; H149-F151 PolarHBondContact O-N 3.4Å
150	K	28.3	Very low	29.1	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.826	69%	0.688	S	S	*	*	H	α-helix	trans	-71	-26.5	-179	-134.5	176.2	-175.7	-179.1	0	112.5
151	F	25.8	Very low	30.1	Very low	190 Å²	190	144.8 Å²	144.8	83%	0.833	70%	0.699	S	S	*	*	H	α-helix	trans	-85.6	-20.1	-177.2	-148.8	-96.4	0	0	0	113.7	H149	H149-F151 VanDerWaalsContact C-N 3.29Å; H149-F151 PolarHBondContact O-N 3.4Å
152	S	26.6	Very low	30.6	Very low	72 Å²	72	144.6 Å²	144.6	50%	0.503	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-7.9	-170.9	-66.5	0	0	0	0	115.5	F148	F148-S152 PolarHBondContact O-OG 3.17Å
153	N	26	Very low	31.3	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	10.8	-168.9	-90.7	-19.1	0	0	0	116.1
154	S	26	Very low	32.1	Very low	104 Å²	104	138.8 Å²	138.8	73%	0.727	67%	0.671	S	S	*	*	S	Bend	trans	-102.7	-3	-169.5	-154.5	0	0	0	0	116.9
155	N	25.7	Very low	33.1	Very low	158 Å²	158	136.7 Å²	136.7	85%	0.845	67%	0.666	S	S	*	*			trans	-143.7	111.7	-179.8	-96.4	-37.8	0	0	0	114.7
156	R	26.1	Very low	34.2	Very low	226 Å²	226	133.6 Å²	133.6	85%	0.853	65%	0.647	S	S	*	*			trans	-136	95.4	-179	-167.9	-178.9	-176.9	-169.1	-0.6	108.9
157	H	31.6	Very low	35.6	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	66%	0.66	S	S	*	*			trans	-169.4	141.2	153	-92.1	-54.5	0	0	0	113.4
158	K	26.7	Very low	37	Very low	185 Å²	185	137.8 Å²	137.8	80%	0.804	66%	0.662	S	S	*	*			trans	91.6	136.9	158.1	-69.4	177.7	-178.6	178.6	0	120.7
159	T	36.5	Very low	38.5	Very low	134 Å²	134	132.9 Å²	132.9	82%	0.822	65%	0.647	S	S	*	*			trans	-76.9	139.8	-170.8	33.7	0	0	0	0	114.8
160	E	31.6	Very low	39.5	Very low	184 Å²	184	130 Å²	130	86%	0.86	64%	0.643	S	S	*	*			trans	-157.3	130.2	148.1	-113.5	171.6	-161.9	0	0	111.8
161	K	51.8	Low	40.5	Very low	197 Å²	197	127.1 Å²	127.1	86%	0.857	63%	0.63	S	S	*	*	S	Bend	trans	-79	126.9	178	-74.9	175.3	176.3	174	0	109.1
162	N	42.1	Very low	41.4	Very low	86 Å²	86	121 Å²	121	46%	0.46	61%	0.611	S	S	.	*			trans	70.2	74.3	176.8	-58.3	-28.3	0	0	0	116.8	F164 C174	N162-F164 PolarHBondContact O-N 3.27Å; N162-C174 WeakPolarHBondContact OD1-CB 3.24Å
163	P	47.1	Very low	42.2	Very low	70 Å²	70	119.7 Å²	119.7	46%	0.455	60%	0.597	S	S	.	*			trans	-79.4	-12	-176.2	29.7	-32.4	0	0	0	115	F75	F75-P163 HydrophobicContact CE1-CB 4.36Å; F75-P163 HydrophobicContact CE1-CG 4.2Å; F75-P163 HydrophobicContact CZ-CB 4.09Å; F75-P163 HydrophobicContact CZ-CG 4.24Å
164	F	45.8	Very low	42.7	Very low	29 Å²	29	116.2 Å²	116.2	13%	0.127	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	92	-172.4	-59.2	-72	0	0	0	112.2	F75 N162 S172 F173 L176 L179	F75-F164 HydrophobicContact CD1-CZ 4.2Å; F75-F164 AromaticContact CD2-CE1 3.79Å; F75-F164 HydrophobicContact CD2-CE1 3.79Å; F75-F164 AromaticContact CD2-CZ 3.78Å; F75-F164 HydrophobicContact CD2-CZ 3.78Å; F75-F164 HydrophobicContact CE1-CE1 4.29Å; F75-F164 HydrophobicContact CE1-CE2 4.43Å; F75-F164 AromaticContact CE1-CZ 3.74Å; F75-F164 HydrophobicContact CE1-CZ 3.74Å; F75-F164 HydrophobicContact CE2-CD1 4.21Å; F75-F164 AromaticContact CE2-CE1 3.13Å; F75-F164 HydrophobicContact CE2-CE1 3.13Å; F75-F164 AromaticContact CE2-CZ 3.37Å; F75-F164 HydrophobicContact CE2-CZ 3.37Å; F75-F164 HydrophobicContact CG-CZ 4.26Å; F75-F164 HydrophobicContact CZ-CD1 4.34Å; F75-F164 AromaticContact CZ-CE1 3.43Å; F75-F164 HydrophobicContact CZ-CE1 3.43Å; F75-F164 VanDerWaalsContact CZ-CE1 3.43Å; F75-F164 HydrophobicContact CZ-CE2 4.23Å; F75-F164 AromaticContact CZ-CZ 3.34Å; F75-F164 HydrophobicContact CZ-CZ 3.34Å; N162-F164 PolarHBondContact O-N 3.27Å; F164-S172 CarbonylContact O-C 3.53Å; F164-S172 WeakPolarHBondContact O-CA 3.37Å; F164-F173 HydrophobicContact CB-CB 4.37Å; F164-F173 WeakPolarHBondContact CB-O 3.3Å; F164-F173 PolarHBondContact N-O 3.12Å; F164-F173 PolarHBondContact O-N 3.02Å; F164-L176 HydrophobicContact CD1-CB 4.03Å; F164-L176 HydrophobicContact CD1-CD1 3.62Å; F164-L176 HydrophobicContact CD1-CG 4.36Å; F164-L176 HydrophobicContact CD2-CB 4.44Å; F164-L176 HydrophobicContact CE1-CB 3.71Å; F164-L176 HydrophobicContact CE1-CD1 3.79Å; F164-L176 HydrophobicContact CE1-CD2 4.29Å; F164-L176 HydrophobicContact CE1-CG 4.13Å; F164-L176 HydrophobicContact CE2-CB 4.17Å; F164-L176 HydrophobicContact CG-CB 4.37Å; F164-L176 HydrophobicContact CG-CD1 4.41Å; F164-L176 HydrophobicContact CZ-CB 3.8Å; F164-L179 HydrophobicContact CB-CB 4.13Å; F164-L179 HydrophobicContact CB-CD2 3.74Å; F164-L179 HydrophobicContact CD1-CD2 4.48Å
165	K	49.9	Very low	43.4	Very low	135 Å²	135	114.4 Å²	114.4	59%	0.587	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	177.9	-161.4	173.1	-178.4	-178.6	0	111.5	K167 G170	K165-K167 PolarHBondContact O-N 3.25Å; K165-G170 WeakPolarHBondContact CE-O 3.34Å; K165-G170 WeakPolarHBondContact CG-O 3.44Å
166	C	55.3	Low	44	Very low	1 Å²	1	110.9 Å²	110.9	1%	0.007	55%	0.548	C	S	.	.			trans	-69.6	118.8	169.1	179.7	0	0	0	0	109.3	E168 C169 G170 K171 F173 L179 H182 H186	C166-E168 PolarHBondContact O-N 3.09Å; C166-C169 VanDerWaalsContact SG-SG 3.68Å; C166-G170 VanDerWaalsContact O-CA 3.23Å; C166-G170 WeakPolarHBondContact O-CA 3.44Å; C166-G170 PolarHBondContact O-N 3.39Å; C166-K171 PolarHBondContact N-O 3.43Å; C166-F173 HydrophobicContact CB-CE2 4.33Å; C166-L179 HydrophobicContact CB-CD1 3.7Å; C166-H182 WeakPolarHBondContact CB-NE2 3.3Å; C166-H182 VanDerWaalsContact SG-CD2 3.59Å; C166-H182 PolarHBondContact SG-NE2 3.4Å; C166-H186 PolarHBondContact SG-NE2 3.4Å; C166-H186 VanDerWaalsContact SG-NE2 3.39Å
167	K	58.9	Low	44.7	Very low	207 Å²	207	103.5 Å²	103.5	90%	0.9	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.5	179.2	-68	-170.9	176.6	-174.3	0	113.1	K165	K165-K167 PolarHBondContact O-N 3.25Å
168	E	55.7	Low	45.2	Very low	141 Å²	141	99.6 Å²	99.6	66%	0.659	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-28.1	-174.8	-65.7	-175.3	-138.6	0	0	114.4	C166 H186	C166-E168 PolarHBondContact O-N 3.09Å; E168-H186 WeakPolarHBondContact OE2-CB 3.34Å; E168-H186 IonicContact OE2-CD2 2.97Å; E168-H186 IonicContact OE2-CG 3.19Å; E168-H186 VanDerWaalsContact OE2-CG 3.24Å; E168-H186 IonicContact OE2-ND1 3.17Å
169	C	57.9	Low	46.2	Very low	55 Å²	55	91 Å²	91	37%	0.372	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	5.6	-179.7	78	0	0	0	0	114.7	C166 K171 H182	C166-C169 VanDerWaalsContact SG-SG 3.68Å; C169-K171 PolarHBondContact O-N 3.22Å; C169-H182 PolarHBondContact SG-CE1 3.18Å; C169-H182 PolarHBondContact SG-NE2 3.42Å
170	G	53.2	Low	46.7	Very low	35 Å²	35	87.3 Å²	87.3	36%	0.361	45%	0.454	S	S	.	.			trans	70.7	-3.6	175.5	0	0	0	0	0	116.3	K165 C166	K165-G170 WeakPolarHBondContact CE-O 3.34Å; K165-G170 WeakPolarHBondContact CG-O 3.44Å; C166-G170 VanDerWaalsContact O-CA 3.23Å; C166-G170 WeakPolarHBondContact O-CA 3.44Å; C166-G170 PolarHBondContact O-N 3.39Å
171	K	49.5	Very low	47.4	Very low	131 Å²	131	84.3 Å²	84.3	57%	0.57	44%	0.439	S	S	*	.			trans	-67.8	132	180	-71.6	-179.9	-178.5	173.8	0	111.8	C166 C169 F173	C166-K171 PolarHBondContact N-O 3.43Å; C169-K171 PolarHBondContact O-N 3.22Å; K171-F173 HydrophobicContact CB-CE2 3.71Å; K171-F173 HydrophobicContact CB-CZ 3.92Å; K171-F173 WeakPolarHBondContact O-CD2 3.32Å; K171-F173 WeakPolarHBondContact O-CE2 2.91Å
172	S	44.5	Very low	47.4	Very low	62 Å²	62	75.9 Å²	75.9	43%	0.434	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.3	179.9	-53.9	0	0	0	0	111.5	F164	F164-S172 CarbonylContact O-C 3.53Å; F164-S172 WeakPolarHBondContact O-CA 3.37Å
173	F	45.2	Very low	47.9	Very low	44 Å²	44	76.3 Å²	76.3	19%	0.193	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.2	-178.3	-60.1	-90.4	0	0	0	109.6	F164 C166 K171 H178 L179 H182	F164-F173 HydrophobicContact CB-CB 4.37Å; F164-F173 WeakPolarHBondContact CB-O 3.3Å; F164-F173 PolarHBondContact N-O 3.12Å; F164-F173 PolarHBondContact O-N 3.02Å; C166-F173 HydrophobicContact CB-CE2 4.33Å; K171-F173 HydrophobicContact CB-CE2 3.71Å; K171-F173 HydrophobicContact CB-CZ 3.92Å; K171-F173 WeakPolarHBondContact O-CD2 3.32Å; K171-F173 WeakPolarHBondContact O-CE2 2.91Å; F173-H178 HydrophobicContact CB-CB 4.48Å; F173-H178 HydrophobicContact CD1-CB 4.04Å; F173-L179 HydrophobicContact CB-CB 4.29Å; F173-L179 HydrophobicContact CD2-CB 4.12Å; F173-L179 HydrophobicContact CD2-CD1 3.83Å; F173-L179 HydrophobicContact CE2-CD1 4.1Å; F173-L179 HydrophobicContact CG-CB 4.36Å; F173-H182 HydrophobicContact CE1-CB 4.14Å; F173-H182 HydrophobicContact CE2-CB 4Å; F173-H182 AromaticContact CE2-CD2 3.44Å; F173-H182 VanDerWaalsContact CE2-CD2 3.44Å; F173-H182 WeakPolarHBondContact CE2-CD2 3.48Å; F173-H182 AromaticContact CE2-CG 3.58Å; F173-H182 AromaticContact CE2-NE2 3.98Å; F173-H182 HydrophobicContact CZ-CB 3.64Å; F173-H182 AromaticContact CZ-CD2 3.65Å; F173-H182 AromaticContact CZ-CG 3.28Å; F173-H182 AromaticContact CZ-ND1 3.57Å
174	C	35.2	Very low	48.1	Very low	80 Å²	80	80.3 Å²	80.3	54%	0.541	41%	0.407	S	S	.	.	S	Bend	trans	-82.4	-15.9	177.9	53.8	0	0	0	0	113.4	N162	N162-C174 WeakPolarHBondContact OD1-CB 3.24Å
175	V	40.8	Very low	48.3	Very low	66 Å²	66	81.3 Å²	81.3	40%	0.4	41%	0.413	S	S	.	.	S	Bend	trans	-137.6	134.4	-176.4	-170.6	0	0	0	0	110	S177 H178 L179	V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 WeakPolarHBondContact CG1-OG 3.43Å; V175-S177 PolarHBondContact O-N 3.15Å; V175-H178 PolarHBondContact O-N 2.77Å; V175-L179 PolarHBondContact O-N 3.02Å
176	L	38.3	Very low	48.5	Very low	83 Å²	83	77.3 Å²	77.3	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-35.2	-177.4	-175.3	60.1	0	0	0	112.9	F164 H178 L179 T180	F164-L176 HydrophobicContact CD1-CB 4.03Å; F164-L176 HydrophobicContact CD1-CD1 3.62Å; F164-L176 HydrophobicContact CD1-CG 4.36Å; F164-L176 HydrophobicContact CD2-CB 4.44Å; F164-L176 HydrophobicContact CE1-CB 3.71Å; F164-L176 HydrophobicContact CE1-CD1 3.79Å; F164-L176 HydrophobicContact CE1-CD2 4.29Å; F164-L176 HydrophobicContact CE1-CG 4.13Å; F164-L176 HydrophobicContact CE2-CB 4.17Å; F164-L176 HydrophobicContact CG-CB 4.37Å; F164-L176 HydrophobicContact CG-CD1 4.41Å; F164-L176 HydrophobicContact CZ-CB 3.8Å; L176-H178 VanDerWaalsContact C-N 3.3Å; L176-H178 PolarHBondContact O-N 2.79Å; L176-L179 HydrophobicContact CD1-CB 4.48Å; L176-L179 HydrophobicContact CD1-CD2 4.12Å; L176-L179 CarbonylContact O-C 3.55Å; L176-L179 WeakPolarHBondContact O-CA 3.49Å; L176-L179 WeakPolarHBondContact O-CB 3.46Å; L176-L179 PolarHBondContact O-N 2.83Å; L176-L179 VanDerWaalsContact O-N 3.08Å; L176-T180 WeakPolarHBondContact O-CB 3.45Å; L176-T180 PolarHBondContact O-N 3.16Å; L176-T180 PolarHBondContact O-OG1 2.86Å
177	S	41.2	Very low	48.4	Very low	72 Å²	72	81.2 Å²	81.2	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-37.5	176.6	59.9	0	0	0	0	112.7	V175 T180 Q181	V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 WeakPolarHBondContact CG1-OG 3.43Å; V175-S177 PolarHBondContact O-N 3.15Å; S177-T180 PolarHBondContact O-N 3.11Å; S177-Q181 VanDerWaalsContact O-CB 3.31Å; S177-Q181 WeakPolarHBondContact O-CB 3.24Å; S177-Q181 PolarHBondContact O-N 3.11Å
178	H	42.3	Very low	47.8	Very low	94 Å²	94	77.4 Å²	77.4	44%	0.435	41%	0.414	S	S	.	.	H	α-helix	trans	-69.8	-37.2	173.1	-65	159.4	0	0	0	111.9	F173 V175 L176 H182	F173-H178 HydrophobicContact CB-CB 4.48Å; F173-H178 HydrophobicContact CD1-CB 4.04Å; V175-H178 PolarHBondContact O-N 2.77Å; L176-H178 VanDerWaalsContact C-N 3.3Å; L176-H178 PolarHBondContact O-N 2.79Å; H178-H182 WeakPolarHBondContact O-CB 3.36Å; H178-H182 PolarHBondContact O-N 3.43Å
179	L	48.1	Very low	47.3	Very low	6 Å²	6	76.3 Å²	76.3	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-65.5	-41.2	171.9	174.8	62.6	0	0	0	111.2	F164 C166 F173 V175 L176 H182 K183	F164-L179 HydrophobicContact CB-CB 4.13Å; F164-L179 HydrophobicContact CB-CD2 3.74Å; F164-L179 HydrophobicContact CD1-CD2 4.48Å; C166-L179 HydrophobicContact CB-CD1 3.7Å; F173-L179 HydrophobicContact CB-CB 4.29Å; F173-L179 HydrophobicContact CD2-CB 4.12Å; F173-L179 HydrophobicContact CD2-CD1 3.83Å; F173-L179 HydrophobicContact CE2-CD1 4.1Å; F173-L179 HydrophobicContact CG-CB 4.36Å; V175-L179 PolarHBondContact O-N 3.02Å; L176-L179 HydrophobicContact CD1-CB 4.48Å; L176-L179 HydrophobicContact CD1-CD2 4.12Å; L176-L179 CarbonylContact O-C 3.55Å; L176-L179 WeakPolarHBondContact O-CA 3.49Å; L176-L179 WeakPolarHBondContact O-CB 3.46Å; L176-L179 PolarHBondContact O-N 2.83Å; L176-L179 VanDerWaalsContact O-N 3.08Å; L179-H182 CarbonylContact O-C 3.39Å; L179-H182 WeakPolarHBondContact O-CB 3.49Å; L179-H182 PolarHBondContact O-N 3.4Å; L179-K183 HydrophobicContact CD1-CD 4.43Å; L179-K183 HydrophobicContact CD1-CG 4.1Å; L179-K183 HydrophobicContact CG-CD 4.23Å; L179-K183 HydrophobicContact CG-CG 4.34Å; L179-K183 WeakPolarHBondContact O-CB 3.47Å; L179-K183 VanDerWaalsContact O-CG 3.31Å; L179-K183 WeakPolarHBondContact O-CG 3.46Å; L179-K183 PolarHBondContact O-N 3.09Å
180	T	46	Very low	46.8	Very low	56 Å²	56	79.2 Å²	79.2	34%	0.344	43%	0.429	S	S	.	.	H	α-helix	trans	-66.8	-41.6	177.7	-57.9	0	0	0	0	111.1	L176 S177 H182 K183 R184	L176-T180 WeakPolarHBondContact O-CB 3.45Å; L176-T180 PolarHBondContact O-N 3.16Å; L176-T180 PolarHBondContact O-OG1 2.86Å; S177-T180 PolarHBondContact O-N 3.11Å; T180-H182 VanDerWaalsContact C-N 3.3Å; T180-H182 PolarHBondContact O-N 3.44Å; T180-K183 PolarHBondContact O-N 2.86Å; T180-R184 WeakPolarHBondContact O-CG 3.37Å; T180-R184 PolarHBondContact O-N 3.38Å
181	Q	45.8	Very low	46.5	Very low	120 Å²	120	79 Å²	79	56%	0.561	42%	0.422	S	S	*	.	H	α-helix	trans	-63.1	-37.9	171.2	-175.1	176.1	13.5	0	0	111.7	S177 R184	S177-Q181 VanDerWaalsContact O-CB 3.31Å; S177-Q181 WeakPolarHBondContact O-CB 3.24Å; S177-Q181 PolarHBondContact O-N 3.11Å; Q181-R184 WeakPolarHBondContact O-CB 3.46Å; Q181-R184 PolarHBondContact O-N 3.1Å
182	H	52.8	Low	46.6	Very low	20 Å²	20	77.5 Å²	77.5	9%	0.093	41%	0.413	C	S	.	.	H	α-helix	trans	-71.6	-38.3	176.9	170.7	74.6	0	0	0	112.9	C166 C169 F173 H178 L179 T180 R184 I185 H186	C166-H182 WeakPolarHBondContact CB-NE2 3.3Å; C166-H182 VanDerWaalsContact SG-CD2 3.59Å; C166-H182 PolarHBondContact SG-NE2 3.4Å; C169-H182 PolarHBondContact SG-CE1 3.18Å; C169-H182 PolarHBondContact SG-NE2 3.42Å; F173-H182 HydrophobicContact CE1-CB 4.14Å; F173-H182 HydrophobicContact CE2-CB 4Å; F173-H182 AromaticContact CE2-CD2 3.44Å; F173-H182 VanDerWaalsContact CE2-CD2 3.44Å; F173-H182 WeakPolarHBondContact CE2-CD2 3.48Å; F173-H182 AromaticContact CE2-CG 3.58Å; F173-H182 AromaticContact CE2-NE2 3.98Å; F173-H182 HydrophobicContact CZ-CB 3.64Å; F173-H182 AromaticContact CZ-CD2 3.65Å; F173-H182 AromaticContact CZ-CG 3.28Å; F173-H182 AromaticContact CZ-ND1 3.57Å; H178-H182 WeakPolarHBondContact O-CB 3.36Å; H178-H182 PolarHBondContact O-N 3.43Å; L179-H182 CarbonylContact O-C 3.39Å; L179-H182 WeakPolarHBondContact O-CB 3.49Å; L179-H182 PolarHBondContact O-N 3.4Å; T180-H182 VanDerWaalsContact C-N 3.3Å; T180-H182 PolarHBondContact O-N 3.44Å; H182-R184 PolarHBondContact O-N 3.2Å; H182-I185 WeakPolarHBondContact O-CB 3.44Å; H182-I185 VanDerWaalsContact O-CG1 3.24Å; H182-I185 WeakPolarHBondContact O-CG1 3.17Å; H182-I185 PolarHBondContact O-N 2.9Å; H182-H186 AromaticContact CE1-NE2 3.86Å; H182-H186 AromaticContact NE2-NE2 3.39Å; H182-H186 PolarHBondContact NE2-NE2 3.49Å
183	K	51.6	Low	46.8	Very low	95 Å²	95	79.5 Å²	79.5	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-26.3	174.3	-78.1	177.8	175.2	-176.1	0	112.2	L179 T180 I185 H186 T187	L179-K183 HydrophobicContact CD1-CD 4.43Å; L179-K183 HydrophobicContact CD1-CG 4.1Å; L179-K183 HydrophobicContact CG-CD 4.23Å; L179-K183 HydrophobicContact CG-CG 4.34Å; L179-K183 WeakPolarHBondContact O-CB 3.47Å; L179-K183 VanDerWaalsContact O-CG 3.31Å; L179-K183 WeakPolarHBondContact O-CG 3.46Å; L179-K183 PolarHBondContact O-N 3.09Å; T180-K183 PolarHBondContact O-N 2.86Å; K183-I185 PolarHBondContact O-N 3.27Å; K183-H186 WeakPolarHBondContact O-CB 3.44Å; K183-H186 PolarHBondContact O-N 3.15Å; K183-T187 PolarHBondContact O-N 3.34Å
184	R	51.3	Low	47	Very low	155 Å²	155	78 Å²	78	59%	0.585	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.8	173	-66.6	172.4	-169.3	-170	2.5	114.2	T180 Q181 H182 H186 T187	T180-R184 WeakPolarHBondContact O-CG 3.37Å; T180-R184 PolarHBondContact O-N 3.38Å; Q181-R184 WeakPolarHBondContact O-CB 3.46Å; Q181-R184 PolarHBondContact O-N 3.1Å; H182-R184 PolarHBondContact O-N 3.2Å; R184-H186 VanDerWaalsContact C-N 3.3Å; R184-T187 VanDerWaalsContact CA-OG1 3.26Å; R184-T187 WeakPolarHBondContact CA-OG1 3.45Å; R184-T187 PolarHBondContact O-OG1 3.07Å; R184-T187 VanDerWaalsContact O-OG1 3.11Å
185	I	51.3	Low	47.6	Very low	50 Å²	50	82.9 Å²	82.9	26%	0.256	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.8	172.3	-55.2	175.9	0	0	0	110.9	H182 K183 K193 A200	H182-I185 WeakPolarHBondContact O-CB 3.44Å; H182-I185 VanDerWaalsContact O-CG1 3.24Å; H182-I185 WeakPolarHBondContact O-CG1 3.17Å; H182-I185 PolarHBondContact O-N 2.9Å; K183-I185 PolarHBondContact O-N 3.27Å; I185-K193 WeakPolarHBondContact O-CE 3.37Å; I185-K193 PolarHBondContact O-NZ 2.96Å; I185-K193 VanDerWaalsContact O-NZ 3.11Å; I185-A200 HydrophobicContact CB-CB 4.31Å; I185-A200 HydrophobicContact CD1-CB 3.92Å; I185-A200 HydrophobicContact CG1-CB 3.75Å; I185-A200 HydrophobicContact CG2-CB 3.74Å
186	H	54.1	Low	48.1	Very low	51 Å²	51	86.9 Å²	86.9	24%	0.236	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-27.3	179	-60.9	-52.6	0	0	0	112.8	C166 E168 H182 K183 R184 T188	C166-H186 PolarHBondContact SG-NE2 3.4Å; C166-H186 VanDerWaalsContact SG-NE2 3.39Å; E168-H186 WeakPolarHBondContact OE2-CB 3.34Å; E168-H186 IonicContact OE2-CD2 2.97Å; E168-H186 IonicContact OE2-CG 3.19Å; E168-H186 VanDerWaalsContact OE2-CG 3.24Å; E168-H186 IonicContact OE2-ND1 3.17Å; H182-H186 AromaticContact CE1-NE2 3.86Å; H182-H186 AromaticContact NE2-NE2 3.39Å; H182-H186 PolarHBondContact NE2-NE2 3.49Å; K183-H186 WeakPolarHBondContact O-CB 3.44Å; K183-H186 PolarHBondContact O-N 3.15Å; R184-H186 VanDerWaalsContact C-N 3.3Å; H186-T188 PolarHBondContact O-N 3.07Å
187	T	52.3	Low	48.4	Very low	82 Å²	82	84.9 Å²	84.9	50%	0.503	43%	0.43	S	S	.	.	S	Bend	trans	-72.9	98.7	165.8	56.7	0	0	0	0	109.2	K183 R184 V189	K183-T187 PolarHBondContact O-N 3.34Å; R184-T187 VanDerWaalsContact CA-OG1 3.26Å; R184-T187 WeakPolarHBondContact CA-OG1 3.45Å; R184-T187 PolarHBondContact O-OG1 3.07Å; R184-T187 VanDerWaalsContact O-OG1 3.11Å; T187-V189 PolarHBondContact O-N 2.81Å
188	T	45.9	Very low	48.7	Very low	127 Å²	127	84.9 Å²	84.9	78%	0.779	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	9.5	-176.8	19.8	0	0	0	0	116.3	H186	H186-T188 PolarHBondContact O-N 3.07Å
189	V	46.8	Very low	49	Very low	118 Å²	118	85.7 Å²	85.7	72%	0.715	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-18.2	-171.3	-176.4	0	0	0	0	114.1	T187	T187-V189 PolarHBondContact O-N 2.81Å
190	N	45.7	Very low	49	Very low	117 Å²	117	86.9 Å²	86.9	63%	0.626	46%	0.455	S	S	*	.	S	Bend	trans	-157.3	48.2	178.6	-85.5	-47.8	0	0	0	114.2
191	S	47.3	Very low	49.3	Very low	31 Å²	31	86 Å²	86	22%	0.217	45%	0.446	C	S	.	.			trans	-122.3	117.4	171	68.4	0	0	0	0	111.4	K193 F201	S191-K193 PolarHBondContact O-N 3.17Å; S191-F201 WeakPolarHBondContact CA-O 3.41Å
192	Y	51.9	Low	49.3	Very low	98 Å²	98	85.7 Å²	85.7	38%	0.384	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.4	172.4	-55.1	-92.7	0	0	0	107.7	F201 S204 L207	Y192-F201 PolarHBondContact N-O 3.19Å; Y192-F201 PolarHBondContact O-N 3.13Å; Y192-S204 VanDerWaalsContact CD2-N 3.28Å; Y192-L207 VanDerWaalsContact CB-CD2 3.4Å; Y192-L207 HydrophobicContact CG-CD2 4.39Å
193	K	48.1	Very low	49.3	Very low	104 Å²	104	87.9 Å²	87.9	45%	0.452	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.7	-179	-66.4	177.3	-178.7	174.6	0	110.1	I185 S191 A200	I185-K193 WeakPolarHBondContact O-CE 3.37Å; I185-K193 PolarHBondContact O-NZ 2.96Å; I185-K193 VanDerWaalsContact O-NZ 3.11Å; S191-K193 PolarHBondContact O-N 3.17Å; K193-A200 HydrophobicContact CG-CB 4.18Å
194	L	50.3	Low	49.2	Very low	13 Å²	13	85.8 Å²	85.8	7%	0.068	46%	0.46	C	S	.	.			trans	-102.3	112.9	167.1	-157.1	88.1	0	0	0	109.4	E196 C197 G198 K199 L207 K211	L194-E196 HydrophobicContact CD2-CB 4.02Å; L194-E196 HydrophobicContact CG-CB 4.43Å; L194-E196 PolarHBondContact O-N 3.38Å; L194-C197 HydrophobicContact CD2-CB 4.37Å; L194-C197 VanDerWaalsContact CD2-SG 3.56Å; L194-C197 PolarHBondContact O-N 3.44Å; L194-G198 PolarHBondContact O-N 3.28Å; L194-K199 PolarHBondContact N-O 2.99Å; L194-K199 VanDerWaalsContact N-O 3.14Å; L194-L207 HydrophobicContact CB-CD1 3.83Å; L194-L207 HydrophobicContact CD1-CD1 3.64Å; L194-L207 HydrophobicContact CD1-CG 4.47Å; L194-L207 HydrophobicContact CG-CD1 4.37Å; L194-K211 HydrophobicContact CD1-CD 3.75Å; L194-K211 HydrophobicContact CD1-CG 3.26Å
195	E	46.8	Very low	49.5	Very low	182 Å²	182	82.1 Å²	82.1	85%	0.85	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.6	178.6	-68.3	-63.1	137	0	0	112.4	C197	E195-C197 PolarHBondContact O-N 3.49Å
196	E	52.5	Low	49.7	Very low	151 Å²	151	82 Å²	82	71%	0.706	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.4	-173	-151.6	177.4	-172.7	0	0	114.6	L194	L194-E196 HydrophobicContact CD2-CB 4.02Å; L194-E196 HydrophobicContact CG-CB 4.43Å; L194-E196 PolarHBondContact O-N 3.38Å
197	C	43.7	Very low	50.1	Low	40 Å²	40	80 Å²	80	27%	0.27	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	3.2	-177.8	77	0	0	0	0	115.3	L194 E195 K199 H210 H214	L194-C197 HydrophobicContact CD2-CB 4.37Å; L194-C197 VanDerWaalsContact CD2-SG 3.56Å; L194-C197 PolarHBondContact O-N 3.44Å; E195-C197 PolarHBondContact O-N 3.49Å; C197-K199 PolarHBondContact O-N 3.13Å; C197-K199 VanDerWaalsContact O-N 3.09Å; C197-H210 PolarHBondContact SG-NE2 2.85Å; C197-H214 VanDerWaalsContact CB-CE1 3.47Å; C197-H214 WeakPolarHBondContact CB-CE1 3.42Å; C197-H214 WeakPolarHBondContact CB-NE2 3.41Å; C197-H214 PolarHBondContact SG-NE2 3.11Å
198	G	49.1	Very low	50.6	Low	73 Å²	73	78.4 Å²	78.4	75%	0.753	44%	0.443	S	S	*	.			trans	63.7	13.3	176.2	0	0	0	0	0	114.9	L194	L194-G198 PolarHBondContact O-N 3.28Å
199	K	47.8	Very low	51.3	Low	111 Å²	111	75.4 Å²	75.4	48%	0.483	42%	0.42	S	S	.	.			trans	-90.5	132.2	179.1	-70.4	174.4	-176.8	166.4	0	110.4	L194 C197 F201	L194-K199 PolarHBondContact N-O 2.99Å; L194-K199 VanDerWaalsContact N-O 3.14Å; C197-K199 PolarHBondContact O-N 3.13Å; C197-K199 VanDerWaalsContact O-N 3.09Å; K199-F201 HydrophobicContact CB-CE2 3.61Å; K199-F201 HydrophobicContact CB-CZ 3.85Å; K199-F201 HydrophobicContact CD-CZ 4.45Å
200	A	47.7	Very low	52.1	Low	31 Å²	31	70.8 Å²	70.8	26%	0.256	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.9	177.2	0	0	0	0	0	110.3	I185 K193	I185-A200 HydrophobicContact CB-CB 4.31Å; I185-A200 HydrophobicContact CD1-CB 3.92Å; I185-A200 HydrophobicContact CG1-CB 3.75Å; I185-A200 HydrophobicContact CG2-CB 3.74Å; K193-A200 HydrophobicContact CG-CB 4.18Å
201	F	51.7	Low	52.9	Low	37 Å²	37	69.8 Å²	69.8	16%	0.162	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.8	-179.4	-62.3	-92.1	0	0	0	110	S191 Y192 K199 L207 H210	S191-F201 WeakPolarHBondContact CA-O 3.41Å; Y192-F201 PolarHBondContact N-O 3.19Å; Y192-F201 PolarHBondContact O-N 3.13Å; K199-F201 HydrophobicContact CB-CE2 3.61Å; K199-F201 HydrophobicContact CB-CZ 3.85Å; K199-F201 HydrophobicContact CD-CZ 4.45Å; F201-L207 HydrophobicContact CB-CB 3.96Å; F201-L207 HydrophobicContact CD2-CB 4.03Å; F201-L207 HydrophobicContact CD2-CD1 3.43Å; F201-L207 VanDerWaalsContact CD2-CD1 3.43Å; F201-L207 HydrophobicContact CD2-CG 4.34Å; F201-L207 HydrophobicContact CE2-CD1 3.81Å; F201-L207 HydrophobicContact CG-CB 4.06Å; F201-L207 HydrophobicContact CG-CD1 4.3Å; F201-H210 HydrophobicContact CD1-CB 4.5Å; F201-H210 HydrophobicContact CE1-CB 3.7Å; F201-H210 AromaticContact CE1-CG 3.8Å; F201-H210 HydrophobicContact CE2-CB 3.97Å; F201-H210 AromaticContact CE2-CD2 3.49Å; F201-H210 VanDerWaalsContact CE2-CD2 3.49Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.41Å; F201-H210 AromaticContact CE2-CG 3.76Å; F201-H210 HydrophobicContact CZ-CB 3.41Å; F201-H210 VanDerWaalsContact CZ-CB 3.41Å; F201-H210 AromaticContact CZ-CD2 3.24Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.2Å; F201-H210 AromaticContact CZ-CG 3.11Å; F201-H210 AromaticContact CZ-ND1 3.61Å; F201-H210 AromaticContact CZ-NE2 3.79Å
202	N	45.6	Very low	54	Low	113 Å²	113	71.3 Å²	71.3	60%	0.604	38%	0.382	S	S	*	.	S	Bend	trans	-84.1	-10	-179.4	60	-12	0	0	0	113.6
203	V	54.7	Low	54.5	Low	66 Å²	66	71.6 Å²	71.6	40%	0.4	39%	0.389	S	S	.	.	S	Bend	trans	-140.9	135.9	-178.4	-171.8	0	0	0	0	109.5	S205 T206 L207	V203-S205 WeakPolarHBondContact CG1-OG 3.45Å; V203-S205 PolarHBondContact O-N 3.21Å; V203-T206 HydrophobicContact CB-CG2 4.26Å; V203-T206 PolarHBondContact O-N 3.11Å; V203-T206 VanDerWaalsContact O-N 3.09Å; V203-T206 PolarHBondContact O-OG1 2.96Å; V203-L207 PolarHBondContact O-N 3.35Å; V203-L207 VanDerWaalsContact O-N 3.14Å
204	S	48.1	Very low	55.2	Low	51 Å²	51	70.3 Å²	70.3	36%	0.357	39%	0.385	S	S	.	.	H	α-helix	trans	-58.7	-35.2	-179.4	-176	0	0	0	0	112.5	Y192 T206 L207 S208	Y192-S204 VanDerWaalsContact CD2-N 3.28Å; S204-T206 PolarHBondContact O-N 2.9Å; S204-L207 PolarHBondContact O-N 3.1Å; S204-S208 VanDerWaalsContact O-CB 3.28Å; S204-S208 WeakPolarHBondContact O-CB 3.44Å; S204-S208 PolarHBondContact O-N 3.03Å; S204-S208 PolarHBondContact O-OG 2.94Å
205	S	57.6	Low	55.9	Low	79 Å²	79	73.6 Å²	73.6	55%	0.552	41%	0.406	S	S	*	.	H	α-helix	trans	-66.5	-33.6	177.6	63.4	0	0	0	0	113.1	V203 Q209	V203-S205 WeakPolarHBondContact CG1-OG 3.45Å; V203-S205 PolarHBondContact O-N 3.21Å; S205-Q209 WeakPolarHBondContact O-CB 3.49Å; S205-Q209 PolarHBondContact O-N 3.47Å
206	T	56.8	Low	56.6	Low	47 Å²	47	67.3 Å²	67.3	29%	0.288	39%	0.39	S	S	.	.	H	α-helix	trans	-78	-35.7	177	60.1	0	0	0	0	111.6	V203 S204 Q209 H210	V203-T206 HydrophobicContact CB-CG2 4.26Å; V203-T206 PolarHBondContact O-N 3.11Å; V203-T206 VanDerWaalsContact O-N 3.09Å; V203-T206 PolarHBondContact O-OG1 2.96Å; S204-T206 PolarHBondContact O-N 2.9Å; T206-Q209 PolarHBondContact O-N 3.07Å; T206-H210 WeakPolarHBondContact O-CB 3.01Å; T206-H210 PolarHBondContact O-N 3.41Å
207	L	60.9	Low	57.3	Low	9 Å²	9	64.6 Å²	64.6	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-49	166.9	176.6	67	0	0	0	110.8	Y192 L194 F201 V203 S204 Q209 H210 K211	Y192-L207 VanDerWaalsContact CB-CD2 3.4Å; Y192-L207 HydrophobicContact CG-CD2 4.39Å; L194-L207 HydrophobicContact CB-CD1 3.83Å; L194-L207 HydrophobicContact CD1-CD1 3.64Å; L194-L207 HydrophobicContact CD1-CG 4.47Å; L194-L207 HydrophobicContact CG-CD1 4.37Å; F201-L207 HydrophobicContact CB-CB 3.96Å; F201-L207 HydrophobicContact CD2-CB 4.03Å; F201-L207 HydrophobicContact CD2-CD1 3.43Å; F201-L207 VanDerWaalsContact CD2-CD1 3.43Å; F201-L207 HydrophobicContact CD2-CG 4.34Å; F201-L207 HydrophobicContact CE2-CD1 3.81Å; F201-L207 HydrophobicContact CG-CB 4.06Å; F201-L207 HydrophobicContact CG-CD1 4.3Å; V203-L207 PolarHBondContact O-N 3.35Å; V203-L207 VanDerWaalsContact O-N 3.14Å; S204-L207 PolarHBondContact O-N 3.1Å; L207-Q209 VanDerWaalsContact C-N 3.29Å; L207-Q209 PolarHBondContact O-N 3.01Å; L207-H210 CarbonylContact O-C 3.56Å; L207-H210 WeakPolarHBondContact O-CA 3.23Å; L207-H210 WeakPolarHBondContact O-CB 3.5Å; L207-H210 PolarHBondContact O-N 3.39Å; L207-K211 HydrophobicContact CD1-CG 4.44Å; L207-K211 HydrophobicContact CG-CD 4.33Å; L207-K211 HydrophobicContact CG-CG 4.42Å; L207-K211 WeakPolarHBondContact O-CG 3.22Å; L207-K211 PolarHBondContact O-N 3.39Å
208	S	62.6	Low	58.6	Low	49 Å²	49	69 Å²	69	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-36.8	-179.5	-62.2	0	0	0	0	111.8	S204 R212	S204-S208 VanDerWaalsContact O-CB 3.28Å; S204-S208 WeakPolarHBondContact O-CB 3.44Å; S204-S208 PolarHBondContact O-N 3.03Å; S204-S208 PolarHBondContact O-OG 2.94Å; S208-R212 WeakPolarHBondContact O-CG 3.3Å
209	Q	61	Low	59.7	Low	63 Å²	63	70.9 Å²	70.9	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-68.2	-35.3	171.2	-176.5	176.3	77.3	0	0	112.3	S205 T206 L207 R212 K231	S205-Q209 WeakPolarHBondContact O-CB 3.49Å; S205-Q209 PolarHBondContact O-N 3.47Å; T206-Q209 PolarHBondContact O-N 3.07Å; L207-Q209 VanDerWaalsContact C-N 3.29Å; L207-Q209 PolarHBondContact O-N 3.01Å; Q209-R212 WeakPolarHBondContact O-CB 3.48Å; Q209-K231 HydrophobicContact CG-CG 4.35Å; Q209-K231 VanDerWaalsContact OE1-CE 3.25Å
210	H	63.4	Low	60.9	Low	22 Å²	22	69.4 Å²	69.4	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-72.2	-39.2	177.7	-174.9	71	0	0	0	112.9	C197 F201 T206 L207 R212 I213 H214	C197-H210 PolarHBondContact SG-NE2 2.85Å; F201-H210 HydrophobicContact CD1-CB 4.5Å; F201-H210 HydrophobicContact CE1-CB 3.7Å; F201-H210 AromaticContact CE1-CG 3.8Å; F201-H210 HydrophobicContact CE2-CB 3.97Å; F201-H210 AromaticContact CE2-CD2 3.49Å; F201-H210 VanDerWaalsContact CE2-CD2 3.49Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.41Å; F201-H210 AromaticContact CE2-CG 3.76Å; F201-H210 HydrophobicContact CZ-CB 3.41Å; F201-H210 VanDerWaalsContact CZ-CB 3.41Å; F201-H210 AromaticContact CZ-CD2 3.24Å; F201-H210 WeakPolarHBondContact CZ-CD2 3.2Å; F201-H210 AromaticContact CZ-CG 3.11Å; F201-H210 AromaticContact CZ-ND1 3.61Å; F201-H210 AromaticContact CZ-NE2 3.79Å; T206-H210 WeakPolarHBondContact O-CB 3.01Å; T206-H210 PolarHBondContact O-N 3.41Å; L207-H210 CarbonylContact O-C 3.56Å; L207-H210 WeakPolarHBondContact O-CA 3.23Å; L207-H210 WeakPolarHBondContact O-CB 3.5Å; L207-H210 PolarHBondContact O-N 3.39Å; H210-R212 PolarHBondContact O-N 3.24Å; H210-R212 VanDerWaalsContact O-N 3.16Å; H210-I213 VanDerWaalsContact O-CB 3.26Å; H210-I213 WeakPolarHBondContact O-CB 3.41Å; H210-I213 WeakPolarHBondContact O-CG1 3.4Å; H210-I213 PolarHBondContact O-N 3.29Å; H210-H214 AromaticContact NE2-CD2 3.99Å; H210-H214 AromaticContact NE2-NE2 3.48Å; H210-H214 PolarHBondContact NE2-NE2 2.88Å
211	K	63.7	Low	62.1	Low	95 Å²	95	74.4 Å²	74.4	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-52	-35.3	173.4	-80	-179.3	172.6	-177	0	112.4	L194 L207 I213 H214 T215	L194-K211 HydrophobicContact CD1-CD 3.75Å; L194-K211 HydrophobicContact CD1-CG 3.26Å; L207-K211 HydrophobicContact CD1-CG 4.44Å; L207-K211 HydrophobicContact CG-CD 4.33Å; L207-K211 HydrophobicContact CG-CG 4.42Å; L207-K211 WeakPolarHBondContact O-CG 3.22Å; L207-K211 PolarHBondContact O-N 3.39Å; K211-I213 PolarHBondContact O-N 2.68Å; K211-I213 VanDerWaalsContact O-N 3.14Å; K211-H214 PolarHBondContact O-N 3.5Å; K211-T215 PolarHBondContact O-N 3.41Å; K211-T215 PolarHBondContact O-OG1 3.4Å
212	R	70.4	Confident	63.4	Low	63 Å²	63	72.7 Å²	72.7	24%	0.238	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-19.8	176.5	-62.2	170.2	-169	-171.3	-2	114.1	S208 Q209 H210 T215 G216 Q217	S208-R212 WeakPolarHBondContact O-CG 3.3Å; Q209-R212 WeakPolarHBondContact O-CB 3.48Å; H210-R212 PolarHBondContact O-N 3.24Å; H210-R212 VanDerWaalsContact O-N 3.16Å; R212-T215 WeakPolarHBondContact CA-OG1 3.25Å; R212-G216 CarbonylContact O-C 3.54Å; R212-G216 PolarHBondContact O-N 3.02Å; R212-Q217 HydrophobicContact CB-CB 4.45Å; R212-Q217 HydrophobicContact CG-CB 4.4Å; R212-Q217 PolarHBondContact O-N 2.89Å
213	I	61.7	Low	64.8	Low	105 Å²	105	75.7 Å²	75.7	54%	0.538	39%	0.391	S	S	.	.	H	α-helix	trans	-74.9	-36.9	174.7	-56.6	177.1	0	0	0	110.2	H210 K211	H210-I213 VanDerWaalsContact O-CB 3.26Å; H210-I213 WeakPolarHBondContact O-CB 3.41Å; H210-I213 WeakPolarHBondContact O-CG1 3.4Å; H210-I213 PolarHBondContact O-N 3.29Å; K211-I213 PolarHBondContact O-N 2.68Å; K211-I213 VanDerWaalsContact O-N 3.14Å
214	H	63.5	Low	65.6	Low	77 Å²	77	78.8 Å²	78.8	36%	0.356	40%	0.401	S	S	.	.	H	α-helix	trans	-77.6	-42.3	178.2	-68.9	-81.9	0	0	0	111.7	C197 H210 K211 G216	C197-H214 VanDerWaalsContact CB-CE1 3.47Å; C197-H214 WeakPolarHBondContact CB-CE1 3.42Å; C197-H214 WeakPolarHBondContact CB-NE2 3.41Å; C197-H214 PolarHBondContact SG-NE2 3.11Å; H210-H214 AromaticContact NE2-CD2 3.99Å; H210-H214 AromaticContact NE2-NE2 3.48Å; H210-H214 PolarHBondContact NE2-NE2 2.88Å; K211-H214 PolarHBondContact O-N 3.5Å; H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact O-N 3.1Å
215	T	64.3	Low	67	Low	82 Å²	82	78.8 Å²	78.8	50%	0.503	40%	0.401	S	S	.	.	S	Bend	trans	-80.7	-3.9	179.1	62.8	0	0	0	0	114	K211 R212 Q217	K211-T215 PolarHBondContact O-N 3.41Å; K211-T215 PolarHBondContact O-OG1 3.4Å; R212-T215 WeakPolarHBondContact CA-OG1 3.25Å; T215-Q217 PolarHBondContact O-N 3.11Å; T215-Q217 WeakPolarHBondContact OG1-CG 3.43Å
216	G	62	Low	67.8	Low	50 Å²	50	76.8 Å²	76.8	52%	0.515	39%	0.392	S	S	.	.			trans	64.5	6.5	-176.7	0	0	0	0	0	115	R212 H214 K218	R212-G216 CarbonylContact O-C 3.54Å; R212-G216 PolarHBondContact O-N 3.02Å; H214-G216 VanDerWaalsContact C-N 3.26Å; H214-G216 PolarHBondContact O-N 3.1Å; G216-K218 PolarHBondContact O-N 3.34Å
217	Q	66.9	Low	68.7	Low	94 Å²	94	78.6 Å²	78.6	44%	0.439	40%	0.399	S	S	.	.			trans	-66.7	118.5	-173.7	-77.9	-176.9	-4.2	0	0	112.4	R212 T215 H219	R212-Q217 HydrophobicContact CB-CB 4.45Å; R212-Q217 HydrophobicContact CG-CB 4.4Å; R212-Q217 PolarHBondContact O-N 2.89Å; T215-Q217 PolarHBondContact O-N 3.11Å; T215-Q217 WeakPolarHBondContact OG1-CG 3.43Å; Q217-H219 PolarHBondContact OE1-NE2 3.34Å
218	K	72	Confident	69.5	Low	132 Å²	132	79.6 Å²	79.6	57%	0.574	41%	0.409	S	S	*	.			trans	-119.1	81.1	179.1	-69.3	166.3	170.8	-171.3	0	110	G216 Y220 A228 F229	G216-K218 PolarHBondContact O-N 3.34Å; K218-Y220 VanDerWaalsContact C-N 3.29Å; K218-Y220 PolarHBondContact O-N 2.82Å; K218-A228 HydrophobicContact CB-CB 3.52Å; K218-A228 HydrophobicContact CD-CB 4.17Å; K218-A228 WeakPolarHBondContact CD-O 3.38Å; K218-A228 HydrophobicContact CG-CB 4.45Å; K218-F229 CarbonylContact C-O 3.3Å; K218-F229 WeakPolarHBondContact CA-O 3.41Å
219	H	70.4	Confident	70.2	Confident	113 Å²	113	79 Å²	79	52%	0.523	40%	0.4	S	S	.	.			trans	-72.7	-17.9	-174.9	-66.7	-65.7	0	0	0	114.4	Q217 F229	Q217-H219 PolarHBondContact OE1-NE2 3.34Å; H219-F229 PolarHBondContact N-O 2.99Å
220	Y	73.6	Confident	70.7	Confident	80 Å²	80	78.1 Å²	78.1	31%	0.314	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	92.4	-176.1	-57.6	-75.2	0	0	0	110.1	K218 A228 F229 K231 S232	K218-Y220 VanDerWaalsContact C-N 3.29Å; K218-Y220 PolarHBondContact O-N 2.82Å; Y220-A228 CarbonylContact O-C 3.59Å; Y220-A228 WeakPolarHBondContact O-CA 2.81Å; Y220-F229 PolarHBondContact N-O 3.45Å; Y220-F229 VanDerWaalsContact N-O 3.1Å; Y220-F229 PolarHBondContact O-N 3.28Å; Y220-K231 VanDerWaalsContact CD2-C 3.41Å; Y220-S232 VanDerWaalsContact CD2-N 3.33Å
221	K	73.7	Confident	71.2	Confident	136 Å²	136	80.2 Å²	80.2	59%	0.591	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.4	179.6	-165.5	176.4	176.7	-175.9	0	110.9	G226 A228	K221-G226 WeakPolarHBondContact CE-O 3.34Å; K221-A228 HydrophobicContact CG-CB 4.5Å
222	C	78	Confident	71.6	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.402	C	S	.	.			trans	-77.3	123.2	167.3	-177.7	0	0	0	0	108.8	E224 C225 G226 I227 F229 L235 H242	C222-E224 VanDerWaalsContact C-N 3.28Å; C222-E224 PolarHBondContact O-N 2.86Å; C222-C225 VanDerWaalsContact CB-SG 3.57Å; C222-C225 PolarHBondContact SG-SG 2.99Å; C222-G226 WeakPolarHBondContact O-CA 3.49Å; C222-G226 PolarHBondContact O-N 3.33Å; C222-I227 WeakPolarHBondContact CB-O 2.9Å; C222-I227 PolarHBondContact N-O 3.05Å; C222-F229 HydrophobicContact CB-CE2 4.42Å; C222-L235 HydrophobicContact CB-CD1 3.63Å; C222-H242 PolarHBondContact SG-NE2 3.37Å
223	E	75.8	Confident	71.7	Confident	177 Å²	177	78.2 Å²	78.2	83%	0.827	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.6	-178.5	-68.8	168.7	177.2	0	0	112
224	E	72.1	Confident	72.4	Confident	131 Å²	131	77 Å²	77	61%	0.612	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-37.7	-176	-65.3	172	-147.6	0	0	113.9	C222 H242	C222-E224 VanDerWaalsContact C-N 3.28Å; C222-E224 PolarHBondContact O-N 2.86Å; E224-H242 WeakPolarHBondContact OE2-CB 3.39Å; E224-H242 IonicContact OE2-CD2 3.92Å; E224-H242 PolarHBondContact OE2-CD2 3.33Å; E224-H242 VanDerWaalsContact OE2-CD2 3.28Å; E224-H242 IonicContact OE2-CG 3.02Å
225	C	76.4	Confident	73	Confident	51 Å²	51	74 Å²	74	35%	0.345	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-0	-176.8	71.2	0	0	0	0	114.1	C222 I227 H238 H242	C222-C225 VanDerWaalsContact CB-SG 3.57Å; C222-C225 PolarHBondContact SG-SG 2.99Å; C225-I227 HydrophobicContact CB-CG1 4.46Å; C225-I227 PolarHBondContact O-N 3.25Å; C225-I227 VanDerWaalsContact O-N 3.1Å; C225-I227 VanDerWaalsContact SG-CG1 3.53Å; C225-H238 PolarHBondContact SG-NE2 2.9Å; C225-H242 PolarHBondContact SG-NE2 2.89Å
226	G	74.6	Confident	73.3	Confident	36 Å²	36	74.2 Å²	74.2	37%	0.371	39%	0.39	S	S	.	.			trans	70.9	-1.5	179.9	0	0	0	0	0	115.7	K221 C222 A228	K221-G226 WeakPolarHBondContact CE-O 3.34Å; C222-G226 WeakPolarHBondContact O-CA 3.49Å; C222-G226 PolarHBondContact O-N 3.33Å; G226-A228 PolarHBondContact O-N 2.77Å
227	I	75.6	Confident	73.6	Confident	86 Å²	86	74 Å²	74	44%	0.441	38%	0.379	S	S	.	.			trans	-70.2	129.1	-177.9	-61.3	173.4	0	0	0	110	C222 C225 F229	C222-I227 WeakPolarHBondContact CB-O 2.9Å; C222-I227 PolarHBondContact N-O 3.05Å; C225-I227 HydrophobicContact CB-CG1 4.46Å; C225-I227 PolarHBondContact O-N 3.25Å; C225-I227 VanDerWaalsContact O-N 3.1Å; C225-I227 VanDerWaalsContact SG-CG1 3.53Å; I227-F229 HydrophobicContact CB-CE2 4.08Å; I227-F229 HydrophobicContact CB-CZ 4.15Å; I227-F229 HydrophobicContact CG2-CE1 4.1Å; I227-F229 HydrophobicContact CG2-CE2 3.69Å; I227-F229 HydrophobicContact CG2-CZ 3.43Å; I227-F229 VanDerWaalsContact CG2-CZ 3.43Å; I227-F229 WeakPolarHBondContact O-CE2 3.46Å
228	A	77.3	Confident	74	Confident	29 Å²	29	70.7 Å²	70.7	24%	0.24	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.6	-178.6	0	0	0	0	0	113	K218 Y220 K221 G226	K218-A228 HydrophobicContact CB-CB 3.52Å; K218-A228 HydrophobicContact CD-CB 4.17Å; K218-A228 WeakPolarHBondContact CD-O 3.38Å; K218-A228 HydrophobicContact CG-CB 4.45Å; Y220-A228 CarbonylContact O-C 3.59Å; Y220-A228 WeakPolarHBondContact O-CA 2.81Å; K221-A228 HydrophobicContact CG-CB 4.5Å; G226-A228 PolarHBondContact O-N 2.77Å
229	F	78.4	Confident	73.9	Confident	38 Å²	38	67.9 Å²	67.9	17%	0.167	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.6	-176	-58.6	-87.6	0	0	0	111.6	K218 H219 Y220 C222 I227 H234 L235 H238	K218-F229 CarbonylContact C-O 3.3Å; K218-F229 WeakPolarHBondContact CA-O 3.41Å; H219-F229 PolarHBondContact N-O 2.99Å; Y220-F229 PolarHBondContact N-O 3.45Å; Y220-F229 VanDerWaalsContact N-O 3.1Å; Y220-F229 PolarHBondContact O-N 3.28Å; C222-F229 HydrophobicContact CB-CE2 4.42Å; I227-F229 HydrophobicContact CB-CE2 4.08Å; I227-F229 HydrophobicContact CB-CZ 4.15Å; I227-F229 HydrophobicContact CG2-CE1 4.1Å; I227-F229 HydrophobicContact CG2-CE2 3.69Å; I227-F229 HydrophobicContact CG2-CZ 3.43Å; I227-F229 VanDerWaalsContact CG2-CZ 3.43Å; I227-F229 WeakPolarHBondContact O-CE2 3.46Å; F229-H234 HydrophobicContact CB-CB 4.19Å; F229-H234 HydrophobicContact CD1-CB 3.86Å; F229-H234 HydrophobicContact CG-CB 4.26Å; F229-L235 HydrophobicContact CB-CB 4.31Å; F229-L235 HydrophobicContact CD2-CB 3.83Å; F229-L235 HydrophobicContact CD2-CD1 3.75Å; F229-L235 HydrophobicContact CD2-CG 4.39Å; F229-L235 HydrophobicContact CE2-CD1 3.9Å; F229-L235 HydrophobicContact CG-CB 4.25Å; F229-H238 HydrophobicContact CE1-CB 4.02Å; F229-H238 HydrophobicContact CE2-CB 3.79Å; F229-H238 AromaticContact CE2-CD2 3.52Å; F229-H238 AromaticContact CE2-CG 3.61Å; F229-H238 HydrophobicContact CZ-CB 3.4Å; F229-H238 AromaticContact CZ-CD2 3.56Å; F229-H238 AromaticContact CZ-CG 3.19Å; F229-H238 AromaticContact CZ-ND1 3.59Å
230	N	71.1	Confident	74	Confident	44 Å²	44	64.3 Å²	64.3	24%	0.235	34%	0.336	C	S	.	.	S	Bend	trans	-84.7	-17.9	177.5	59.6	2.6	0	0	0	113.5	H234	N230-H234 PolarHBondContact OD1-ND1 3.29Å
231	K	74.3	Confident	73.8	Confident	65 Å²	65	65.6 Å²	65.6	28%	0.283	35%	0.347	S	S	.	.	S	Bend	trans	-128.8	138.7	177.6	-53.4	-166.3	-174.8	-158.4	0	110.5	Q209 Y220 S233 H234 L235	Q209-K231 HydrophobicContact CG-CG 4.35Å; Q209-K231 VanDerWaalsContact OE1-CE 3.25Å; Y220-K231 VanDerWaalsContact CD2-C 3.41Å; K231-S233 VanDerWaalsContact C-N 3.28Å; K231-S233 PolarHBondContact O-N 3.42Å; K231-H234 HydrophobicContact CB-CB 4.43Å; K231-H234 WeakPolarHBondContact O-CB 3.45Å; K231-H234 PolarHBondContact O-N 2.93Å; K231-H234 VanDerWaalsContact O-N 3.13Å; K231-L235 PolarHBondContact O-N 3.12Å
232	S	72.6	Confident	73.7	Confident	48 Å²	48	62.5 Å²	62.5	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-39.3	173.7	173.1	0	0	0	0	111.9	Y220 H234 L235 N236	Y220-S232 VanDerWaalsContact CD2-N 3.33Å; S232-H234 VanDerWaalsContact C-N 3.26Å; S232-H234 PolarHBondContact O-N 3.01Å; S232-L235 WeakPolarHBondContact O-CB 3.42Å; S232-L235 PolarHBondContact O-N 2.78Å; S232-L235 VanDerWaalsContact O-N 3.11Å; S232-N236 PolarHBondContact O-N 3.47Å
233	S	72	Confident	73.1	Confident	68 Å²	68	66.4 Å²	66.4	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-35.7	175.9	56.6	0	0	0	0	113.3	K231 N236 T237	K231-S233 VanDerWaalsContact C-N 3.28Å; K231-S233 PolarHBondContact O-N 3.42Å; S233-N236 PolarHBondContact O-N 3.01Å; S233-T237 PolarHBondContact O-N 3.03Å; S233-T237 PolarHBondContact O-OG1 3.18Å
234	H	76.4	Confident	72.4	Confident	80 Å²	80	60.5 Å²	60.5	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-70.9	-40.8	176.4	-63	163.9	0	0	0	111.8	F229 N230 K231 S232 T237 H238	F229-H234 HydrophobicContact CB-CB 4.19Å; F229-H234 HydrophobicContact CD1-CB 3.86Å; F229-H234 HydrophobicContact CG-CB 4.26Å; N230-H234 PolarHBondContact OD1-ND1 3.29Å; K231-H234 HydrophobicContact CB-CB 4.43Å; K231-H234 WeakPolarHBondContact O-CB 3.45Å; K231-H234 PolarHBondContact O-N 2.93Å; K231-H234 VanDerWaalsContact O-N 3.13Å; S232-H234 VanDerWaalsContact C-N 3.26Å; S232-H234 PolarHBondContact O-N 3.01Å; H234-T237 WeakPolarHBondContact CA-OG1 3.23Å; H234-T237 PolarHBondContact O-N 3.39Å; H234-T237 PolarHBondContact O-OG1 2.91Å; H234-H238 WeakPolarHBondContact O-CB 3.24Å; H234-H238 PolarHBondContact O-N 3.4Å
235	L	75.1	Confident	71.9	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-45.3	172.6	173.7	62.3	0	0	0	110.8	C222 F229 K231 S232 T237 H238 K239	C222-L235 HydrophobicContact CB-CD1 3.63Å; F229-L235 HydrophobicContact CB-CB 4.31Å; F229-L235 HydrophobicContact CD2-CB 3.83Å; F229-L235 HydrophobicContact CD2-CD1 3.75Å; F229-L235 HydrophobicContact CD2-CG 4.39Å; F229-L235 HydrophobicContact CE2-CD1 3.9Å; F229-L235 HydrophobicContact CG-CB 4.25Å; K231-L235 PolarHBondContact O-N 3.12Å; S232-L235 WeakPolarHBondContact O-CB 3.42Å; S232-L235 PolarHBondContact O-N 2.78Å; S232-L235 VanDerWaalsContact O-N 3.11Å; L235-T237 PolarHBondContact O-N 3.4Å; L235-H238 CarbonylContact O-C 3.56Å; L235-H238 WeakPolarHBondContact O-CA 3.37Å; L235-H238 WeakPolarHBondContact O-CB 3.34Å; L235-H238 PolarHBondContact O-N 3.23Å; L235-K239 HydrophobicContact CD1-CG 4.1Å; L235-K239 HydrophobicContact CG-CD 4.42Å; L235-K239 HydrophobicContact CG-CG 4.39Å; L235-K239 WeakPolarHBondContact O-CG 3.42Å; L235-K239 PolarHBondContact O-N 2.9Å
236	N	71.3	Confident	71.2	Confident	87 Å²	87	63.2 Å²	63.2	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-43.8	178.8	-69.2	-9.2	0	0	0	111.6	S232 S233 H238 K239 I240	S232-N236 PolarHBondContact O-N 3.47Å; S233-N236 PolarHBondContact O-N 3.01Å; N236-H238 VanDerWaalsContact C-N 3.26Å; N236-H238 PolarHBondContact O-N 3.16Å; N236-K239 PolarHBondContact O-N 3.08Å; N236-I240 WeakPolarHBondContact O-CG1 3.39Å
237	T	67.4	Low	70.5	Confident	47 Å²	47	64.6 Å²	64.6	29%	0.288	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-27.6	173	44.7	0	0	0	0	113.8	S233 H234 L235 I259	S233-T237 PolarHBondContact O-N 3.03Å; S233-T237 PolarHBondContact O-OG1 3.18Å; H234-T237 WeakPolarHBondContact CA-OG1 3.23Å; H234-T237 PolarHBondContact O-N 3.39Å; H234-T237 PolarHBondContact O-OG1 2.91Å; L235-T237 PolarHBondContact O-N 3.4Å; T237-I259 HydrophobicContact CG2-CD1 3.88Å; T237-I259 HydrophobicContact CG2-CG1 3.79Å
238	H	75.7	Confident	69.8	Low	24 Å²	24	65 Å²	65	11%	0.111	35%	0.351	C	S	.	.	H	α-helix	trans	-77.2	-39.2	177.2	174.7	75.9	0	0	0	112.2	C225 F229 H234 L235 N236 I240 I241 H242	C225-H238 PolarHBondContact SG-NE2 2.9Å; F229-H238 HydrophobicContact CE1-CB 4.02Å; F229-H238 HydrophobicContact CE2-CB 3.79Å; F229-H238 AromaticContact CE2-CD2 3.52Å; F229-H238 AromaticContact CE2-CG 3.61Å; F229-H238 HydrophobicContact CZ-CB 3.4Å; F229-H238 AromaticContact CZ-CD2 3.56Å; F229-H238 AromaticContact CZ-CG 3.19Å; F229-H238 AromaticContact CZ-ND1 3.59Å; H234-H238 WeakPolarHBondContact O-CB 3.24Å; H234-H238 PolarHBondContact O-N 3.4Å; L235-H238 CarbonylContact O-C 3.56Å; L235-H238 WeakPolarHBondContact O-CA 3.37Å; L235-H238 WeakPolarHBondContact O-CB 3.34Å; L235-H238 PolarHBondContact O-N 3.23Å; N236-H238 VanDerWaalsContact C-N 3.26Å; N236-H238 PolarHBondContact O-N 3.16Å; H238-I240 PolarHBondContact O-N 2.9Å; H238-I241 WeakPolarHBondContact O-CB 3.42Å; H238-I241 WeakPolarHBondContact O-CG1 3.45Å; H238-I241 PolarHBondContact O-N 2.99Å; H238-H242 AromaticContact CD2-NE2 3.84Å; H238-H242 AromaticContact CE1-NE2 3.95Å; H238-H242 AromaticContact NE2-CE1 3.82Å; H238-H242 AromaticContact NE2-NE2 3.19Å; H238-H242 PolarHBondContact NE2-NE2 2.79Å; H238-H242 VanDerWaalsContact NE2-NE2 3.19Å
239	K	71.2	Confident	68.6	Low	72 Å²	72	71 Å²	71	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-57.1	-32.3	175.9	-73.9	-174.7	174.3	-164.3	0	112.2	L235 N236 I241 H242 T243	L235-K239 HydrophobicContact CD1-CG 4.1Å; L235-K239 HydrophobicContact CG-CD 4.42Å; L235-K239 HydrophobicContact CG-CG 4.39Å; L235-K239 WeakPolarHBondContact O-CG 3.42Å; L235-K239 PolarHBondContact O-N 2.9Å; N236-K239 PolarHBondContact O-N 3.08Å; K239-I241 PolarHBondContact O-N 3.47Å; K239-I241 VanDerWaalsContact O-N 3.15Å; K239-H242 PolarHBondContact O-N 2.99Å; K239-T243 PolarHBondContact O-N 3.44Å
240	I	70.6	Confident	67.6	Low	39 Å²	39	70.7 Å²	70.7	20%	0.2	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-23.6	174.2	-61.3	169.9	0	0	0	112.7	N236 H238 T243 G244 E245 N258	N236-I240 WeakPolarHBondContact O-CG1 3.39Å; H238-I240 PolarHBondContact O-N 2.9Å; I240-T243 WeakPolarHBondContact CA-OG1 3.31Å; I240-T243 PolarHBondContact O-OG1 3.31Å; I240-G244 PolarHBondContact O-N 3.44Å; I240-E245 WeakPolarHBondContact CG2-O 3.34Å; I240-E245 PolarHBondContact O-N 3.38Å; I240-N258 HydrophobicContact CB-CB 4.47Å; I240-N258 HydrophobicContact CG2-CB 3.67Å
241	I	69.4	Low	66.8	Low	106 Å²	106	78 Å²	78	54%	0.544	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-38.1	176.4	-58.8	176.5	0	0	0	110.6	H238 K239	H238-I241 WeakPolarHBondContact O-CB 3.42Å; H238-I241 WeakPolarHBondContact O-CG1 3.45Å; H238-I241 PolarHBondContact O-N 2.99Å; K239-I241 PolarHBondContact O-N 3.47Å; K239-I241 VanDerWaalsContact O-N 3.15Å
242	H	71.6	Confident	66.1	Low	71 Å²	71	82.2 Å²	82.2	33%	0.329	42%	0.423	S	S	.	.	H	α-helix	trans	-80	-37.2	-179	-55.4	-50.5	0	0	0	112.5	C222 E224 C225 H238 K239 G244	C222-H242 PolarHBondContact SG-NE2 3.37Å; E224-H242 WeakPolarHBondContact OE2-CB 3.39Å; E224-H242 IonicContact OE2-CD2 3.92Å; E224-H242 PolarHBondContact OE2-CD2 3.33Å; E224-H242 VanDerWaalsContact OE2-CD2 3.28Å; E224-H242 IonicContact OE2-CG 3.02Å; C225-H242 PolarHBondContact SG-NE2 2.89Å; H238-H242 AromaticContact CD2-NE2 3.84Å; H238-H242 AromaticContact CE1-NE2 3.95Å; H238-H242 AromaticContact NE2-CE1 3.82Å; H238-H242 AromaticContact NE2-NE2 3.19Å; H238-H242 PolarHBondContact NE2-NE2 2.79Å; H238-H242 VanDerWaalsContact NE2-NE2 3.19Å; K239-H242 PolarHBondContact O-N 2.99Å; H242-G244 PolarHBondContact O-N 3.11Å
243	T	66.7	Low	65.5	Low	82 Å²	82	81.9 Å²	81.9	50%	0.503	42%	0.42	S	S	.	.	H	α-helix	trans	-71.4	-13.4	174.3	64.8	0	0	0	0	112.7	K239 I240 E245	K239-T243 PolarHBondContact O-N 3.44Å; I240-T243 WeakPolarHBondContact CA-OG1 3.31Å; I240-T243 PolarHBondContact O-OG1 3.31Å; T243-E245 PolarHBondContact O-N 3.4Å; T243-E245 VanDerWaalsContact OG1-CB 3.29Å; T243-E245 WeakPolarHBondContact OG1-CB 3.31Å; T243-E245 PolarHBondContact OG1-N 3.26Å
244	G	60.5	Low	64.9	Low	53 Å²	53	81.8 Å²	81.8	55%	0.546	43%	0.43	S	S	.	.			trans	62.8	9.6	-175.3	0	0	0	0	0	113.5	I240 H242 K246	I240-G244 PolarHBondContact O-N 3.44Å; H242-G244 PolarHBondContact O-N 3.11Å; G244-K246 PolarHBondContact O-N 3.09Å
245	E	62.2	Low	64.1	Low	117 Å²	117	83.6 Å²	83.6	55%	0.547	44%	0.437	S	S	.	.			trans	-80.1	91.2	-165	-159.3	-177.8	178.2	0	0	110.1	I240 T243 S247	I240-E245 WeakPolarHBondContact CG2-O 3.34Å; I240-E245 PolarHBondContact O-N 3.38Å; T243-E245 PolarHBondContact O-N 3.4Å; T243-E245 VanDerWaalsContact OG1-CB 3.29Å; T243-E245 WeakPolarHBondContact OG1-CB 3.31Å; T243-E245 PolarHBondContact OG1-N 3.26Å; E245-S247 PolarHBondContact O-N 3.39Å; E245-S247 PolarHBondContact O-OG 3.39Å
246	K	62	Low	63.4	Low	122 Å²	122	84.2 Å²	84.2	53%	0.53	44%	0.444	S	S	.	.			trans	-79.8	77.3	172.7	-54.9	178.1	-173.7	172.1	0	109	G244 Y248 K249 A256	G244-K246 PolarHBondContact O-N 3.09Å; K246-Y248 PolarHBondContact O-N 3.28Å; K246-K249 WeakPolarHBondContact O-CE 3.44Å; K246-K249 VanDerWaalsContact O-CG 3.3Å; K246-K249 WeakPolarHBondContact O-CG 3.42Å; K246-A256 HydrophobicContact CB-CB 3.49Å; K246-A256 VanDerWaalsContact CB-CB 3.49Å; K246-A256 HydrophobicContact CD-CB 3.5Å; K246-A256 VanDerWaalsContact CD-CB 3.5Å; K246-A256 HydrophobicContact CG-CB 4.12Å
247	S	60	Low	63.4	Low	65 Å²	65	82.1 Å²	82.1	46%	0.455	43%	0.431	S	S	.	.			trans	-63	-22.1	-174.2	-39.4	0	0	0	0	113.3	E245	E245-S247 PolarHBondContact O-N 3.39Å; E245-S247 PolarHBondContact O-OG 3.39Å
248	Y	59.1	Low	63.2	Low	94 Å²	94	82.4 Å²	82.4	37%	0.369	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	84	-176.9	-56.5	-71.7	0	0	0	110.9	K246 A256 F257	K246-Y248 PolarHBondContact O-N 3.28Å; Y248-A256 WeakPolarHBondContact O-CA 3.42Å; Y248-F257 WeakPolarHBondContact CB-O 3.4Å; Y248-F257 PolarHBondContact N-O 3.35Å; Y248-F257 PolarHBondContact O-N 3.18Å
249	K	52.3	Low	62.7	Low	155 Å²	155	83.3 Å²	83.3	67%	0.674	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	144.2	177.4	-55.3	-174.3	178.4	170.4	0	110.6	K246 A256	K246-K249 WeakPolarHBondContact O-CE 3.44Å; K246-K249 VanDerWaalsContact O-CG 3.3Å; K246-K249 WeakPolarHBondContact O-CG 3.42Å; K249-A256 HydrophobicContact CB-CB 4.35Å; K249-A256 HydrophobicContact CG-CB 3.75Å
250	R	59	Low	62.5	Low	33 Å²	33	82.5 Å²	82.5	13%	0.125	44%	0.439	C	S	.	.			trans	-111.7	124.7	165	-174.5	178	-177.4	160.7	3.1	109.2	E252 G254 K255 L263 K267 H270	R250-E252 IonicContact CZ-OE2 3.01Å; R250-E252 IonicContact NE-OE2 2.96Å; R250-E252 PolarHBondContact NE-OE2 3.16Å; R250-E252 IonicContact NH2-OE2 3.89Å; R250-E252 PolarHBondContact NH2-OE2 3.37Å; R250-G254 PolarHBondContact O-N 3.16Å; R250-G254 VanDerWaalsContact O-N 3.14Å; R250-K255 PolarHBondContact N-O 3.08Å; R250-L263 HydrophobicContact CB-CD1 4.02Å; R250-K267 PolarHBondContact NH1-O 3.48Å; R250-H270 PolarHBondContact NH1-CD2 3.36Å
251	E	53.3	Low	62.4	Low	197 Å²	197	83.9 Å²	83.9	92%	0.921	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-66.5	-39	-174.5	-68.3	173	176.2	0	0	112.7	C253	E251-C253 VanDerWaalsContact C-N 3.32Å; E251-C253 PolarHBondContact O-N 3.22Å
252	E	59	Low	62.4	Low	154 Å²	154	82.9 Å²	82.9	72%	0.72	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.2	-177.1	-71.3	173.8	144.2	0	0	116	R250	R250-E252 IonicContact CZ-OE2 3.01Å; R250-E252 IonicContact NE-OE2 2.96Å; R250-E252 PolarHBondContact NE-OE2 3.16Å; R250-E252 IonicContact NH2-OE2 3.89Å; R250-E252 PolarHBondContact NH2-OE2 3.37Å
253	C	60.5	Low	62.2	Low	41 Å²	41	80.1 Å²	80.1	28%	0.277	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-131.4	4	-175.5	67.5	0	0	0	0	114	E251 K255 H266	E251-C253 VanDerWaalsContact C-N 3.32Å; E251-C253 PolarHBondContact O-N 3.22Å; C253-K255 PolarHBondContact O-N 3.26Å; C253-H266 PolarHBondContact SG-NE2 3.43Å; C253-H266 VanDerWaalsContact SG-NE2 3.41Å
254	G	59.4	Low	62.2	Low	66 Å²	66	80.1 Å²	80.1	68%	0.68	43%	0.433	S	S	*	.			trans	61.7	1.7	-178.8	0	0	0	0	0	115.4	R250	R250-G254 PolarHBondContact O-N 3.16Å; R250-G254 VanDerWaalsContact O-N 3.14Å
255	K	59.8	Low	62.5	Low	117 Å²	117	79.2 Å²	79.2	51%	0.509	42%	0.416	S	S	.	.			trans	-80.1	132.4	-177.9	-72.6	176.2	178.8	173.8	0	110.4	R250 C253 F257 H266	R250-K255 PolarHBondContact N-O 3.08Å; C253-K255 PolarHBondContact O-N 3.26Å; K255-F257 HydrophobicContact CB-CE2 3.9Å; K255-F257 HydrophobicContact CB-CZ 4.05Å; K255-H266 VanDerWaalsContact CD-CE1 3.4Å; K255-H266 WeakPolarHBondContact CD-CE1 3.48Å
256	A	60.8	Low	62.9	Low	27 Å²	27	74.3 Å²	74.3	22%	0.223	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.4	-172.2	0	0	0	0	0	109.7	K246 Y248 K249	K246-A256 HydrophobicContact CB-CB 3.49Å; K246-A256 VanDerWaalsContact CB-CB 3.49Å; K246-A256 HydrophobicContact CD-CB 3.5Å; K246-A256 VanDerWaalsContact CD-CB 3.5Å; K246-A256 HydrophobicContact CG-CB 4.12Å; Y248-A256 WeakPolarHBondContact O-CA 3.42Å; K249-A256 HydrophobicContact CB-CB 4.35Å; K249-A256 HydrophobicContact CG-CB 3.75Å
257	F	70.4	Confident	63.1	Low	42 Å²	42	73.1 Å²	73.1	18%	0.184	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.7	-172.2	-58.4	-89.4	0	0	0	110.6	Y248 K255 H262 L263 H266	Y248-F257 WeakPolarHBondContact CB-O 3.4Å; Y248-F257 PolarHBondContact N-O 3.35Å; Y248-F257 PolarHBondContact O-N 3.18Å; K255-F257 HydrophobicContact CB-CE2 3.9Å; K255-F257 HydrophobicContact CB-CZ 4.05Å; F257-H262 HydrophobicContact CB-CB 4.27Å; F257-H262 HydrophobicContact CD1-CB 3.82Å; F257-H262 HydrophobicContact CG-CB 4.27Å; F257-L263 HydrophobicContact CB-CB 4.28Å; F257-L263 HydrophobicContact CD2-CB 3.86Å; F257-L263 HydrophobicContact CD2-CD1 3.74Å; F257-L263 HydrophobicContact CD2-CG 4.39Å; F257-L263 HydrophobicContact CE2-CD1 3.93Å; F257-L263 HydrophobicContact CG-CB 4.25Å; F257-H266 HydrophobicContact CE1-CB 4.12Å; F257-H266 HydrophobicContact CE2-CB 3.76Å; F257-H266 AromaticContact CE2-CD2 3.5Å; F257-H266 AromaticContact CE2-CG 3.6Å; F257-H266 HydrophobicContact CZ-CB 3.45Å; F257-H266 VanDerWaalsContact CZ-CB 3.45Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.64Å
258	N	63	Low	63.5	Low	53 Å²	53	71.2 Å²	71.2	28%	0.283	37%	0.373	S	S	.	.	S	Bend	trans	-84.3	-14.4	174.9	57.8	-1.5	0	0	0	113	I240	I240-N258 HydrophobicContact CB-CB 4.47Å; I240-N258 HydrophobicContact CG2-CB 3.67Å
259	I	66.6	Low	63.7	Low	44 Å²	44	72.1 Å²	72.1	23%	0.226	38%	0.383	C	S	.	.	S	Bend	trans	-131.9	129	-177.3	-59	171.2	0	0	0	109.1	T237 S261 H262 L263	T237-I259 HydrophobicContact CG2-CD1 3.88Å; T237-I259 HydrophobicContact CG2-CG1 3.79Å; I259-S261 VanDerWaalsContact C-N 3.3Å; I259-S261 WeakPolarHBondContact CG2-OG 3.32Å; I259-S261 PolarHBondContact O-N 3.09Å; I259-H262 HydrophobicContact CB-CB 4.45Å; I259-H262 WeakPolarHBondContact O-CB 3.37Å; I259-H262 PolarHBondContact O-N 2.84Å; I259-L263 PolarHBondContact O-N 3.26Å
260	S	66.1	Low	64.2	Low	54 Å²	54	68.9 Å²	68.9	38%	0.378	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-39.3	179.6	179.5	0	0	0	0	113	H262 L263 T264	S260-H262 VanDerWaalsContact C-N 3.29Å; S260-H262 PolarHBondContact O-N 3.21Å; S260-L263 WeakPolarHBondContact O-CB 3.47Å; S260-L263 PolarHBondContact O-N 3.34Å; S260-L263 VanDerWaalsContact O-N 3.14Å; S260-T264 PolarHBondContact O-N 3.42Å; S260-T264 PolarHBondContact O-OG1 2.82Å; S260-T264 VanDerWaalsContact O-OG1 3.12Å
261	S	68	Low	64.5	Low	68 Å²	68	70.7 Å²	70.7	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-35	176.3	65.1	0	0	0	0	112.6	I259 T264 T265	I259-S261 VanDerWaalsContact C-N 3.3Å; I259-S261 WeakPolarHBondContact CG2-OG 3.32Å; I259-S261 PolarHBondContact O-N 3.09Å; S261-T264 PolarHBondContact O-N 3.19Å; S261-T265 WeakPolarHBondContact O-CG2 3.43Å; S261-T265 PolarHBondContact O-N 2.78Å; S261-T265 PolarHBondContact O-OG1 3.37Å
262	H	69.3	Low	64.8	Low	86 Å²	86	63 Å²	63	40%	0.398	36%	0.358	S	S	.	.	H	α-helix	trans	-66.8	-42.9	174	-66	171	0	0	0	111.3	F257 I259 S260 T264 T265 H266	F257-H262 HydrophobicContact CB-CB 4.27Å; F257-H262 HydrophobicContact CD1-CB 3.82Å; F257-H262 HydrophobicContact CG-CB 4.27Å; I259-H262 HydrophobicContact CB-CB 4.45Å; I259-H262 WeakPolarHBondContact O-CB 3.37Å; I259-H262 PolarHBondContact O-N 2.84Å; S260-H262 VanDerWaalsContact C-N 3.29Å; S260-H262 PolarHBondContact O-N 3.21Å; H262-T264 VanDerWaalsContact C-N 3.34Å; H262-T264 PolarHBondContact O-N 3.22Å; H262-T265 WeakPolarHBondContact CA-OG1 3.47Å; H262-T265 PolarHBondContact O-N 3.02Å; H262-T265 PolarHBondContact O-OG1 3.19Å; H262-H266 VanDerWaalsContact O-CB 3.29Å; H262-H266 WeakPolarHBondContact O-CB 3.39Å; H262-H266 PolarHBondContact O-N 3.05Å
263	L	68.6	Low	64.7	Low	13 Å²	13	62 Å²	62	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-43.8	172.6	175.6	62.8	0	0	0	111.2	R250 F257 I259 S260 T265 H266 K267	R250-L263 HydrophobicContact CB-CD1 4.02Å; F257-L263 HydrophobicContact CB-CB 4.28Å; F257-L263 HydrophobicContact CD2-CB 3.86Å; F257-L263 HydrophobicContact CD2-CD1 3.74Å; F257-L263 HydrophobicContact CD2-CG 4.39Å; F257-L263 HydrophobicContact CE2-CD1 3.93Å; F257-L263 HydrophobicContact CG-CB 4.25Å; I259-L263 PolarHBondContact O-N 3.26Å; S260-L263 WeakPolarHBondContact O-CB 3.47Å; S260-L263 PolarHBondContact O-N 3.34Å; S260-L263 VanDerWaalsContact O-N 3.14Å; L263-T265 PolarHBondContact O-N 2.96Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CB 3.46Å; L263-H266 PolarHBondContact O-N 3Å; L263-H266 VanDerWaalsContact O-N 3.14Å; L263-K267 HydrophobicContact CD1-CG 4.3Å; L263-K267 HydrophobicContact CG-CD 4.41Å; L263-K267 HydrophobicContact CG-CG 4.45Å; L263-K267 WeakPolarHBondContact O-CG 3.45Å; L263-K267 PolarHBondContact O-N 3.23Å
264	T	67.3	Low	64.4	Low	81 Å²	81	66 Å²	66	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-44.2	177.5	-59.7	0	0	0	0	111.8	S260 S261 H262 H266 K267	S260-T264 PolarHBondContact O-N 3.42Å; S260-T264 PolarHBondContact O-OG1 2.82Å; S260-T264 VanDerWaalsContact O-OG1 3.12Å; S261-T264 PolarHBondContact O-N 3.19Å; H262-T264 VanDerWaalsContact C-N 3.34Å; H262-T264 PolarHBondContact O-N 3.22Å; T264-H266 VanDerWaalsContact C-N 3.29Å; T264-H266 PolarHBondContact O-N 3.14Å; T264-K267 PolarHBondContact O-N 3.38Å
265	T	66.8	Low	64.8	Low	34 Å²	34	63.5 Å²	63.5	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-67.5	-29.5	174	60.7	0	0	0	0	113.2	S261 H262 L263	S261-T265 WeakPolarHBondContact O-CG2 3.43Å; S261-T265 PolarHBondContact O-N 2.78Å; S261-T265 PolarHBondContact O-OG1 3.37Å; H262-T265 WeakPolarHBondContact CA-OG1 3.47Å; H262-T265 PolarHBondContact O-N 3.02Å; H262-T265 PolarHBondContact O-OG1 3.19Å; L263-T265 PolarHBondContact O-N 2.96Å
266	H	69.1	Low	65.6	Low	15 Å²	15	62.3 Å²	62.3	7%	0.069	34%	0.338	C	S	.	.	H	α-helix	trans	-73	-33.4	174.1	-177	68.9	0	0	0	111.7	C253 K255 F257 H262 L263 T264 I268 I269 H270	C253-H266 PolarHBondContact SG-NE2 3.43Å; C253-H266 VanDerWaalsContact SG-NE2 3.41Å; K255-H266 VanDerWaalsContact CD-CE1 3.4Å; K255-H266 WeakPolarHBondContact CD-CE1 3.48Å; F257-H266 HydrophobicContact CE1-CB 4.12Å; F257-H266 HydrophobicContact CE2-CB 3.76Å; F257-H266 AromaticContact CE2-CD2 3.5Å; F257-H266 AromaticContact CE2-CG 3.6Å; F257-H266 HydrophobicContact CZ-CB 3.45Å; F257-H266 VanDerWaalsContact CZ-CB 3.45Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.64Å; H262-H266 VanDerWaalsContact O-CB 3.29Å; H262-H266 WeakPolarHBondContact O-CB 3.39Å; H262-H266 PolarHBondContact O-N 3.05Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CB 3.46Å; L263-H266 PolarHBondContact O-N 3Å; L263-H266 VanDerWaalsContact O-N 3.14Å; T264-H266 VanDerWaalsContact C-N 3.29Å; T264-H266 PolarHBondContact O-N 3.14Å; H266-I268 PolarHBondContact O-N 2.91Å; H266-I269 WeakPolarHBondContact O-CB 3.47Å; H266-I269 PolarHBondContact O-N 3.04Å; H266-H270 AromaticContact CD2-NE2 3.84Å; H266-H270 AromaticContact CE1-NE2 3.55Å; H266-H270 AromaticContact NE2-CD2 3.67Å; H266-H270 AromaticContact NE2-NE2 3.02Å; H266-H270 PolarHBondContact NE2-NE2 2.95Å
267	K	65.9	Low	66.3	Low	97 Å²	97	66.6 Å²	66.6	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-37.3	178.1	-79.1	176.9	175.7	-175	0	112.3	R250 L263 T264 I269 H270 T271	R250-K267 PolarHBondContact NH1-O 3.48Å; L263-K267 HydrophobicContact CD1-CG 4.3Å; L263-K267 HydrophobicContact CG-CD 4.41Å; L263-K267 HydrophobicContact CG-CG 4.45Å; L263-K267 WeakPolarHBondContact O-CG 3.45Å; L263-K267 PolarHBondContact O-N 3.23Å; T264-K267 PolarHBondContact O-N 3.38Å; K267-I269 PolarHBondContact O-N 2.82Å; K267-H270 PolarHBondContact O-N 3Å; K267-H270 VanDerWaalsContact O-N 3.11Å; K267-T271 PolarHBondContact O-N 3.14Å; K267-T271 VanDerWaalsContact O-N 3.11Å; K267-T271 PolarHBondContact O-OG1 3.16Å
268	I	69.2	Low	66.8	Low	25 Å²	25	64.8 Å²	64.8	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-28.6	176.1	-59.7	171.2	0	0	0	112.4	H266 H270 G272 A275	H266-I268 PolarHBondContact O-N 2.91Å; I268-H270 VanDerWaalsContact C-N 3.34Å; I268-G272 WeakPolarHBondContact O-CA 3.3Å; I268-G272 PolarHBondContact O-N 3.11Å; I268-A275 HydrophobicContact CG2-CB 3.62Å
269	I	63.8	Low	67.6	Low	112 Å²	112	71.6 Å²	71.6	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-69.4	-34	-179.2	-58.5	176.1	0	0	0	111.4	H266 K267	H266-I269 WeakPolarHBondContact O-CB 3.47Å; H266-I269 PolarHBondContact O-N 3.04Å; K267-I269 PolarHBondContact O-N 2.82Å
270	H	63.4	Low	68.2	Low	87 Å²	87	76.1 Å²	76.1	40%	0.403	39%	0.391	S	S	.	.	H	α-helix	trans	-93.3	-38.3	-177	-60.6	-84.1	0	0	0	112.5	R250 H266 K267 I268	R250-H270 PolarHBondContact NH1-CD2 3.36Å; H266-H270 AromaticContact CD2-NE2 3.84Å; H266-H270 AromaticContact CE1-NE2 3.55Å; H266-H270 AromaticContact NE2-CD2 3.67Å; H266-H270 AromaticContact NE2-NE2 3.02Å; H266-H270 PolarHBondContact NE2-NE2 2.95Å; K267-H270 PolarHBondContact O-N 3Å; K267-H270 VanDerWaalsContact O-N 3.11Å; I268-H270 VanDerWaalsContact C-N 3.34Å
271	T	63.5	Low	69	Low	72 Å²	72	76 Å²	76	44%	0.442	39%	0.39	S	S	.	.	H	α-helix	trans	-84.8	-21.9	-177.9	58.5	0	0	0	0	112.6	K267 E273	K267-T271 PolarHBondContact O-N 3.14Å; K267-T271 VanDerWaalsContact O-N 3.11Å; K267-T271 PolarHBondContact O-OG1 3.16Å; T271-E273 PolarHBondContact O-N 3.24Å
272	G	59.7	Low	69.4	Low	34 Å²	34	75.4 Å²	75.4	35%	0.351	40%	0.395	S	S	.	.			trans	65.4	-17.1	-175.5	0	0	0	0	0	114.9	I268 A275	I268-G272 WeakPolarHBondContact O-CA 3.3Å; I268-G272 PolarHBondContact O-N 3.11Å; G272-A275 PolarHBondContact O-N 3.07Å
273	E	57.3	Low	69.8	Low	133 Å²	133	77.6 Å²	77.6	62%	0.621	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	129	171.3	-66.1	-174.8	153.8	0	0	109.8	T271 A275	T271-E273 PolarHBondContact O-N 3.24Å; E273-A275 VanDerWaalsContact C-N 3.31Å; E273-A275 PolarHBondContact O-N 3.24Å
274	N	55.6	Low	70.2	Confident	127 Å²	127	79.9 Å²	79.9	68%	0.679	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	15.4	-176.3	-52.9	-46.2	0	0	0	116.4
275	A	67.8	Low	70.6	Confident	12 Å²	12	78 Å²	78	10%	0.099	41%	0.409	C	S	.	.			trans	-74.5	132	168.5	0	0	0	0	0	111.3	I268 G272 E273 K277 A284 F285	I268-A275 HydrophobicContact CG2-CB 3.62Å; G272-A275 PolarHBondContact O-N 3.07Å; E273-A275 VanDerWaalsContact C-N 3.31Å; E273-A275 PolarHBondContact O-N 3.24Å; A275-K277 PolarHBondContact O-N 2.98Å; A275-A284 HydrophobicContact CB-CB 3.8Å; A275-F285 CarbonylContact C-O 3.56Å; A275-F285 WeakPolarHBondContact CA-O 3.09Å
276	Y	75.1	Confident	70.8	Confident	93 Å²	93	78.9 Å²	78.9	37%	0.365	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	91.7	172.7	-66.2	-85.4	0	0	0	108.9	F285 S288	Y276-F285 PolarHBondContact N-O 3.48Å; Y276-F285 WeakPolarHBondContact O-CD2 3.47Å; Y276-F285 PolarHBondContact O-N 2.86Å; Y276-S288 VanDerWaalsContact CD2-N 3.33Å; Y276-S288 VanDerWaalsContact CE2-N 3.27Å
277	K	75.2	Confident	71	Confident	117 Å²	117	82.1 Å²	82.1	51%	0.509	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.9	-179.9	-61.3	-177.3	-176	-177.9	0	111.9	A275 K283 A284	A275-K277 PolarHBondContact O-N 2.98Å; K277-K283 CarbonylContact C-O 3.2Å; K277-K283 WeakPolarHBondContact CA-O 3.48Å; K277-A284 HydrophobicContact CG-CB 4.12Å
278	C	80.9	Confident	71.4	Confident	4 Å²	4	80.4 Å²	80.4	3%	0.027	43%	0.428	C	S	.	.			trans	-75.9	128.7	168.9	-171.9	0	0	0	0	109.7	E280 G282 K283 F285 L291 H294 H298	C278-E280 VanDerWaalsContact C-N 3.34Å; C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.47Å; C278-G282 PolarHBondContact O-N 3.25Å; C278-K283 WeakPolarHBondContact CB-O 2.85Å; C278-K283 PolarHBondContact N-O 3.43Å; C278-F285 HydrophobicContact CB-CE2 4.36Å; C278-L291 HydrophobicContact CB-CD1 3.69Å; C278-H294 VanDerWaalsContact SG-CD2 3.59Å; C278-H298 PolarHBondContact SG-NE2 2.8Å; C278-H298 VanDerWaalsContact SG-NE2 3.44Å
279	K	80.1	Confident	71.8	Confident	195 Å²	195	82.5 Å²	82.5	85%	0.848	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-27.8	-179.2	-66.6	-173.7	177.6	-176.3	0	112.8
280	E	79.9	Confident	72.4	Confident	139 Å²	139	78.1 Å²	78.1	65%	0.65	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-32.3	-173.6	-69.1	159.9	167.2	0	0	113.2	C278 H298	C278-E280 VanDerWaalsContact C-N 3.34Å; E280-H298 WeakPolarHBondContact OE2-CB 3.31Å; E280-H298 IonicContact OE2-CD2 3.92Å; E280-H298 PolarHBondContact OE2-CD2 3.29Å; E280-H298 IonicContact OE2-CG 3Å; E280-H298 IonicContact OE2-NE2 3.24Å
281	C	82.6	Confident	73.2	Confident	52 Å²	52	74.7 Å²	74.7	35%	0.351	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	6.1	-176.6	71.4	0	0	0	0	114.4	K283 H294 H298	C281-K283 PolarHBondContact O-N 3.45Å; C281-K283 VanDerWaalsContact SG-CG 3.59Å; C281-H294 PolarHBondContact SG-NE2 3.48Å; C281-H298 PolarHBondContact SG-NE2 3.38Å
282	G	77.3	Confident	73.9	Confident	56 Å²	56	75.5 Å²	75.5	58%	0.577	41%	0.412	S	S	*	.			trans	69	-6.7	179.2	0	0	0	0	0	115.8	C278 A284	C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.47Å; C278-G282 PolarHBondContact O-N 3.25Å; G282-A284 PolarHBondContact O-N 2.73Å
283	K	76.1	Confident	74.8	Confident	131 Å²	131	79.8 Å²	79.8	57%	0.57	42%	0.418	S	S	*	.			trans	-61.9	134	-177.1	-70.8	-178.1	-178.7	-179.9	0	111.8	K277 C278 C281 F285	K277-K283 CarbonylContact C-O 3.2Å; K277-K283 WeakPolarHBondContact CA-O 3.48Å; C278-K283 WeakPolarHBondContact CB-O 2.85Å; C278-K283 PolarHBondContact N-O 3.43Å; C281-K283 PolarHBondContact O-N 3.45Å; C281-K283 VanDerWaalsContact SG-CG 3.59Å; K283-F285 HydrophobicContact CB-CE2 3.79Å; K283-F285 HydrophobicContact CB-CZ 4.06Å
284	A	77.6	Confident	76	Confident	61 Å²	61	74.2 Å²	74.2	50%	0.504	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.8	-177.7	0	0	0	0	0	111.2	A275 K277 G282	A275-A284 HydrophobicContact CB-CB 3.8Å; K277-A284 HydrophobicContact CG-CB 4.12Å; G282-A284 PolarHBondContact O-N 2.73Å
285	F	75.6	Confident	77.1	Confident	43 Å²	43	73.2 Å²	73.2	19%	0.189	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148	-179.3	-62.8	-89.6	0	0	0	111.2	A275 Y276 C278 K283 Q287 L291 H294	A275-F285 CarbonylContact C-O 3.56Å; A275-F285 WeakPolarHBondContact CA-O 3.09Å; Y276-F285 PolarHBondContact N-O 3.48Å; Y276-F285 WeakPolarHBondContact O-CD2 3.47Å; Y276-F285 PolarHBondContact O-N 2.86Å; C278-F285 HydrophobicContact CB-CE2 4.36Å; K283-F285 HydrophobicContact CB-CE2 3.79Å; K283-F285 HydrophobicContact CB-CZ 4.06Å; F285-Q287 VanDerWaalsContact C-N 3.34Å; F285-L291 HydrophobicContact CB-CB 4.16Å; F285-L291 HydrophobicContact CD2-CB 3.99Å; F285-L291 HydrophobicContact CD2-CD1 3.65Å; F285-L291 HydrophobicContact CD2-CG 4.42Å; F285-L291 HydrophobicContact CE2-CD1 3.92Å; F285-L291 HydrophobicContact CG-CB 4.21Å; F285-H294 HydrophobicContact CE1-CB 3.86Å; F285-H294 HydrophobicContact CE2-CB 3.79Å; F285-H294 AromaticContact CE2-CD2 3.32Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.49Å; F285-H294 AromaticContact CE2-CG 3.49Å; F285-H294 VanDerWaalsContact CE2-CG 3.49Å; F285-H294 AromaticContact CE2-NE2 3.96Å; F285-H294 HydrophobicContact CZ-CB 3.39Å; F285-H294 AromaticContact CZ-CD2 3.47Å; F285-H294 VanDerWaalsContact CZ-CD2 3.47Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.36Å; F285-H294 AromaticContact CZ-CG 3.14Å; F285-H294 AromaticContact CZ-ND1 3.54Å; F285-H294 AromaticContact CZ-NE2 3.99Å
286	N	71.4	Confident	77.7	Confident	51 Å²	51	74.3 Å²	74.3	27%	0.273	39%	0.385	S	S	.	.	S	Bend	trans	-83	-8.7	179.7	63.8	-4.1	0	0	0	113.9
287	Q	72.9	Confident	77.9	Confident	83 Å²	83	74.7 Å²	74.7	39%	0.388	39%	0.392	S	S	.	.	S	Bend	trans	-140.1	148	-179.4	-65.4	177	4.6	0	0	110.5	F285 T290 L291	F285-Q287 VanDerWaalsContact C-N 3.34Å; Q287-T290 HydrophobicContact CB-CG2 4.08Å; Q287-T290 PolarHBondContact O-N 3.01Å; Q287-T290 PolarHBondContact O-OG1 2.76Å; Q287-L291 PolarHBondContact O-N 3.42Å
288	S	75.1	Confident	78.1	Confident	62 Å²	62	72.5 Å²	72.5	43%	0.434	38%	0.384	S	S	.	.	H	α-helix	trans	-66.2	-40.3	177.2	57	0	0	0	0	111.6	Y276 T290 L291 T292	Y276-S288 VanDerWaalsContact CD2-N 3.33Å; Y276-S288 VanDerWaalsContact CE2-N 3.27Å; S288-T290 VanDerWaalsContact C-N 3.27Å; S288-T290 PolarHBondContact O-N 3.22Å; S288-L291 PolarHBondContact O-N 2.85Å; S288-T292 PolarHBondContact O-N 3.36Å; S288-T292 PolarHBondContact O-OG1 2.94Å; S288-T292 VanDerWaalsContact O-OG1 3.09Å
289	S	76.5	Confident	77.9	Confident	69 Å²	69	75.2 Å²	75.2	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-37.6	177.6	58.7	0	0	0	0	112.4	R293	S289-R293 WeakPolarHBondContact O-CB 3.31Å; S289-R293 PolarHBondContact O-N 3.06Å
290	T	77.4	Confident	77.7	Confident	20 Å²	20	68.3 Å²	68.3	12%	0.123	39%	0.391	C	S	.	.	H	α-helix	trans	-74.8	-36.2	178.5	59.1	0	0	0	0	111.7	Q287 S288 H294	Q287-T290 HydrophobicContact CB-CG2 4.08Å; Q287-T290 PolarHBondContact O-N 3.01Å; Q287-T290 PolarHBondContact O-OG1 2.76Å; S288-T290 VanDerWaalsContact C-N 3.27Å; S288-T290 PolarHBondContact O-N 3.22Å; T290-H294 WeakPolarHBondContact O-CB 3.48Å; T290-H294 PolarHBondContact O-N 2.98Å
291	L	79.7	Confident	77.7	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.079	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-46.7	169.7	174.2	64.1	0	0	0	111.7	C278 F285 Q287 S288 R293 H294 K295	C278-L291 HydrophobicContact CB-CD1 3.69Å; F285-L291 HydrophobicContact CB-CB 4.16Å; F285-L291 HydrophobicContact CD2-CB 3.99Å; F285-L291 HydrophobicContact CD2-CD1 3.65Å; F285-L291 HydrophobicContact CD2-CG 4.42Å; F285-L291 HydrophobicContact CE2-CD1 3.92Å; F285-L291 HydrophobicContact CG-CB 4.21Å; Q287-L291 PolarHBondContact O-N 3.42Å; S288-L291 PolarHBondContact O-N 2.85Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 2.76Å; L291-H294 CarbonylContact O-C 3.57Å; L291-H294 WeakPolarHBondContact O-CA 3.44Å; L291-H294 WeakPolarHBondContact O-CB 3.11Å; L291-H294 PolarHBondContact O-N 3.44Å; L291-K295 HydrophobicContact CD1-CG 4.38Å; L291-K295 WeakPolarHBondContact O-CG 3.44Å; L291-K295 PolarHBondContact O-N 2.95Å
292	T	79.1	Confident	77.6	Confident	88 Å²	88	70.3 Å²	70.3	54%	0.54	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-44.4	178.4	-60.5	0	0	0	0	110.7	S288 H294 K295	S288-T292 PolarHBondContact O-N 3.36Å; S288-T292 PolarHBondContact O-OG1 2.94Å; S288-T292 VanDerWaalsContact O-OG1 3.09Å; T292-H294 VanDerWaalsContact C-N 3.3Å; T292-H294 PolarHBondContact O-N 2.85Å; T292-K295 PolarHBondContact O-N 3.26Å
293	R	78.3	Confident	77.7	Confident	124 Å²	124	71.2 Å²	71.2	47%	0.468	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-36.6	173.3	-178.5	173.1	63.5	-160.1	-0.9	112.7	S289 L291 I296 Q315	S289-R293 WeakPolarHBondContact O-CB 3.31Å; S289-R293 PolarHBondContact O-N 3.06Å; L291-R293 VanDerWaalsContact C-N 3.29Å; L291-R293 PolarHBondContact O-N 2.76Å; R293-I296 WeakPolarHBondContact O-CB 3.49Å; R293-I296 PolarHBondContact O-N 2.94Å; R293-Q315 HydrophobicContact CG-CG 4.48Å
294	H	81.7	Confident	78.1	Confident	16 Å²	16	69.5 Å²	69.5	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-66.7	-37.6	176.7	170	68.8	0	0	0	112.5	C278 C281 F285 T290 L291 T292 I296 I297 H298	C278-H294 VanDerWaalsContact SG-CD2 3.59Å; C281-H294 PolarHBondContact SG-NE2 3.48Å; F285-H294 HydrophobicContact CE1-CB 3.86Å; F285-H294 HydrophobicContact CE2-CB 3.79Å; F285-H294 AromaticContact CE2-CD2 3.32Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.49Å; F285-H294 AromaticContact CE2-CG 3.49Å; F285-H294 VanDerWaalsContact CE2-CG 3.49Å; F285-H294 AromaticContact CE2-NE2 3.96Å; F285-H294 HydrophobicContact CZ-CB 3.39Å; F285-H294 AromaticContact CZ-CD2 3.47Å; F285-H294 VanDerWaalsContact CZ-CD2 3.47Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.36Å; F285-H294 AromaticContact CZ-CG 3.14Å; F285-H294 AromaticContact CZ-ND1 3.54Å; F285-H294 AromaticContact CZ-NE2 3.99Å; T290-H294 WeakPolarHBondContact O-CB 3.48Å; T290-H294 PolarHBondContact O-N 2.98Å; L291-H294 CarbonylContact O-C 3.57Å; L291-H294 WeakPolarHBondContact O-CA 3.44Å; L291-H294 WeakPolarHBondContact O-CB 3.11Å; L291-H294 PolarHBondContact O-N 3.44Å; T292-H294 VanDerWaalsContact C-N 3.3Å; T292-H294 PolarHBondContact O-N 2.85Å; H294-I296 PolarHBondContact O-N 3.24Å; H294-I297 WeakPolarHBondContact O-CB 3.48Å; H294-I297 WeakPolarHBondContact O-CG1 3.32Å; H294-I297 PolarHBondContact O-N 3.29Å; H294-H298 AromaticContact CD2-NE2 3.9Å; H294-H298 AromaticContact CE1-NE2 3.5Å; H294-H298 AromaticContact NE2-CD2 3.73Å; H294-H298 AromaticContact NE2-CE1 3.96Å; H294-H298 AromaticContact NE2-NE2 3.01Å; H294-H298 PolarHBondContact NE2-NE2 3.43Å
295	K	78.3	Confident	78.3	Confident	106 Å²	106	71.5 Å²	71.5	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-59.5	-29.7	177.4	-71.8	179.3	175.5	-174.3	0	113.4	L291 T292 I297 H298 A299	L291-K295 HydrophobicContact CD1-CG 4.38Å; L291-K295 WeakPolarHBondContact O-CG 3.44Å; L291-K295 PolarHBondContact O-N 2.95Å; T292-K295 PolarHBondContact O-N 3.26Å; K295-I297 PolarHBondContact O-N 3.25Å; K295-H298 PolarHBondContact O-N 2.83Å; K295-H298 VanDerWaalsContact O-N 3.07Å; K295-A299 PolarHBondContact O-N 3Å; K295-A299 VanDerWaalsContact O-N 3.07Å
296	I	81.6	Confident	78.9	Confident	35 Å²	35	69.5 Å²	69.5	18%	0.179	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-30.2	174	-60.6	174.5	0	0	0	111.3	R293 H294 G300 E301 N314	R293-I296 WeakPolarHBondContact O-CB 3.49Å; R293-I296 PolarHBondContact O-N 2.94Å; H294-I296 PolarHBondContact O-N 3.24Å; I296-G300 PolarHBondContact O-N 2.87Å; I296-G300 VanDerWaalsContact O-N 3.17Å; I296-E301 HydrophobicContact CG2-CB 4.15Å; I296-E301 WeakPolarHBondContact CG2-O 3.36Å; I296-E301 PolarHBondContact O-N 2.9Å; I296-N314 HydrophobicContact CG2-CB 3.96Å
297	I	79.1	Confident	79.7	Confident	101 Å²	101	75.6 Å²	75.6	52%	0.518	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-40.8	178.1	-57.3	175.1	0	0	0	111	H294 K295 G300	H294-I297 WeakPolarHBondContact O-CB 3.48Å; H294-I297 WeakPolarHBondContact O-CG1 3.32Å; H294-I297 PolarHBondContact O-N 3.29Å; K295-I297 PolarHBondContact O-N 3.25Å; I297-G300 PolarHBondContact O-N 3.14Å
298	H	78.1	Confident	80.2	Confident	72 Å²	72	78.7 Å²	78.7	33%	0.333	41%	0.413	S	S	.	.	H	α-helix	trans	-76.2	-36.8	-179.7	-62.2	-53.6	0	0	0	112.3	C278 E280 C281 H294 K295 G300	C278-H298 PolarHBondContact SG-NE2 2.8Å; C278-H298 VanDerWaalsContact SG-NE2 3.44Å; E280-H298 WeakPolarHBondContact OE2-CB 3.31Å; E280-H298 IonicContact OE2-CD2 3.92Å; E280-H298 PolarHBondContact OE2-CD2 3.29Å; E280-H298 IonicContact OE2-CG 3Å; E280-H298 IonicContact OE2-NE2 3.24Å; C281-H298 PolarHBondContact SG-NE2 3.38Å; H294-H298 AromaticContact CD2-NE2 3.9Å; H294-H298 AromaticContact CE1-NE2 3.5Å; H294-H298 AromaticContact NE2-CD2 3.73Å; H294-H298 AromaticContact NE2-CE1 3.96Å; H294-H298 AromaticContact NE2-NE2 3.01Å; H294-H298 PolarHBondContact NE2-NE2 3.43Å; K295-H298 PolarHBondContact O-N 2.83Å; K295-H298 VanDerWaalsContact O-N 3.07Å; H298-G300 PolarHBondContact O-N 2.83Å
299	A	77.4	Confident	80.8	Confident	61 Å²	61	78.7 Å²	78.7	50%	0.504	41%	0.412	S	S	.	.	H	α-helix	trans	-68.2	-13.3	173.7	0	0	0	0	0	112.9	K295 E301	K295-A299 PolarHBondContact O-N 3Å; K295-A299 VanDerWaalsContact O-N 3.07Å; A299-E301 HydrophobicContact CB-CB 4.31Å; A299-E301 HydrophobicContact CB-CG 3.87Å; A299-E301 PolarHBondContact O-N 3.18Å
300	G	76.4	Confident	81.1	Confident	50 Å²	50	78 Å²	78	52%	0.515	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	2.1	-173.5	0	0	0	0	0	114	I296 I297 H298	I296-G300 PolarHBondContact O-N 2.87Å; I296-G300 VanDerWaalsContact O-N 3.17Å; I297-G300 PolarHBondContact O-N 3.14Å; H298-G300 PolarHBondContact O-N 2.83Å
301	E	80.4	Confident	81.5	Confident	109 Å²	109	84.7 Å²	84.7	51%	0.509	44%	0.439	S	S	.	.			trans	-62.8	136.2	-178.1	-73	-179.2	-172.6	0	0	110.1	I296 A299	I296-E301 HydrophobicContact CG2-CB 4.15Å; I296-E301 WeakPolarHBondContact CG2-O 3.36Å; I296-E301 PolarHBondContact O-N 2.9Å; A299-E301 HydrophobicContact CB-CB 4.31Å; A299-E301 HydrophobicContact CB-CG 3.87Å; A299-E301 PolarHBondContact O-N 3.18Å
302	K	79.5	Confident	81.7	Confident	124 Å²	124	85.2 Å²	85.2	54%	0.539	45%	0.446	S	S	.	.			trans	-128.4	76.5	175.3	-70.9	169.4	176.2	177.9	0	108.6	Y304 A312 F313	K302-Y304 PolarHBondContact O-N 2.93Å; K302-A312 HydrophobicContact CB-CB 3.35Å; K302-A312 HydrophobicContact CD-CB 3.94Å; K302-A312 WeakPolarHBondContact CD-O 3.4Å; K302-A312 HydrophobicContact CG-CB 4.27Å; K302-F313 CarbonylContact C-O 3.53Å; K302-F313 VanDerWaalsContact CA-O 3.3Å; K302-F313 WeakPolarHBondContact CA-O 3.41Å
303	P	79.9	Confident	81.9	Confident	74 Å²	74	82.7 Å²	82.7	48%	0.481	43%	0.427	S	S	.	.			trans	-64.1	-17	-169.7	-22.7	34.5	0	0	0	114.2
304	Y	83.1	Confident	81.9	Confident	96 Å²	96	79.3 Å²	79.3	38%	0.376	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	96.2	-174.2	-56.3	-79.5	0	0	0	110	K302 A312 F313 Q315	K302-Y304 PolarHBondContact O-N 2.93Å; Y304-A312 CarbonylContact O-C 3.5Å; Y304-A312 WeakPolarHBondContact O-CA 3.48Å; Y304-F313 WeakPolarHBondContact CB-O 3.19Å; Y304-F313 WeakPolarHBondContact CD2-O 3.24Å; Y304-F313 PolarHBondContact N-O 3.09Å; Y304-F313 VanDerWaalsContact N-O 3.12Å; Y304-F313 PolarHBondContact O-N 2.86Å; Y304-Q315 VanDerWaalsContact CD2-C 3.41Å
305	I	82.8	Confident	81.8	Confident	102 Å²	102	81.3 Å²	81.3	52%	0.523	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.2	-176.6	-54.8	175.1	0	0	0	110.3	A312	I305-A312 HydrophobicContact CG1-CB 3.93Å
306	C	88.6	Confident	82	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.014	43%	0.426	C	S	.	.			trans	-82.1	113.6	169.5	-172.7	0	0	0	0	109.5	H308 C309 G310 R311 F313 L319 H326	C306-H308 PolarHBondContact O-N 3.05Å; C306-C309 PolarHBondContact O-N 3.39Å; C306-G310 VanDerWaalsContact O-CA 3.23Å; C306-G310 WeakPolarHBondContact O-CA 3.45Å; C306-G310 PolarHBondContact O-N 3.3Å; C306-R311 VanDerWaalsContact CB-O 3.29Å; C306-R311 WeakPolarHBondContact CB-O 3.45Å; C306-R311 PolarHBondContact N-O 3.06Å; C306-F313 HydrophobicContact CB-CE2 4.43Å; C306-L319 HydrophobicContact CB-CD1 3.66Å; C306-H326 VanDerWaalsContact SG-CD2 3.56Å; C306-H326 PolarHBondContact SG-NE2 3.17Å; C306-H326 VanDerWaalsContact SG-NE2 3.4Å
307	E	88.6	Confident	82	Confident	179 Å²	179	79.9 Å²	79.9	84%	0.836	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.9	179.7	-67.2	165.8	169.6	0	0	113.1
308	H	83.2	Confident	82.3	Confident	148 Å²	148	77.7 Å²	77.7	69%	0.685	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.1	-176.8	-167.1	76.7	0	0	0	114.1	C306 H326	C306-H308 PolarHBondContact O-N 3.05Å; H308-H326 AromaticContact CD2-CE1 3.63Å; H308-H326 AromaticContact CD2-CG 3.55Å; H308-H326 AromaticContact CD2-ND1 3.26Å; H308-H326 PolarHBondContact CD2-ND1 3.27Å; H308-H326 VanDerWaalsContact CD2-ND1 3.26Å
309	C	87.2	Confident	82.7	Confident	61 Å²	61	75.2 Å²	75.2	41%	0.412	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	8.3	-177.2	68.5	0	0	0	0	114.5	C306 R311 H322 H326	C306-C309 PolarHBondContact O-N 3.39Å; C309-R311 PolarHBondContact O-N 3.45Å; C309-R311 WeakPolarHBondContact SG-CB 3.24Å; C309-H322 PolarHBondContact SG-NE2 3.1Å; C309-H326 PolarHBondContact SG-NE2 3.4Å
310	G	83.4	Confident	83	Confident	54 Å²	54	76.2 Å²	76.2	56%	0.557	41%	0.412	S	S	*	.			trans	66.1	-0.3	-177.7	0	0	0	0	0	115	C306 A312	C306-G310 VanDerWaalsContact O-CA 3.23Å; C306-G310 WeakPolarHBondContact O-CA 3.45Å; C306-G310 PolarHBondContact O-N 3.3Å; G310-A312 PolarHBondContact O-N 2.79Å
311	R	84.5	Confident	83.4	Confident	161 Å²	161	78.2 Å²	78.2	61%	0.608	41%	0.407	S	S	*	.			trans	-74.3	127.9	-173.2	-159.7	171.3	-171.9	174.9	3	111.1	C306 C309 F313	C306-R311 VanDerWaalsContact CB-O 3.29Å; C306-R311 WeakPolarHBondContact CB-O 3.45Å; C306-R311 PolarHBondContact N-O 3.06Å; C309-R311 PolarHBondContact O-N 3.45Å; C309-R311 WeakPolarHBondContact SG-CB 3.24Å; R311-F313 HydrophobicContact CB-CE2 4.25Å; R311-F313 HydrophobicContact CB-CZ 4.42Å; R311-F313 HydrophobicContact CG-CE2 4.31Å; R311-F313 HydrophobicContact CG-CZ 4.09Å; R311-F313 VanDerWaalsContact O-CE2 3.32Å; R311-F313 WeakPolarHBondContact O-CE2 3.26Å
312	A	84	Confident	83.7	Confident	27 Å²	27	73.9 Å²	73.9	22%	0.223	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.7	-174.7	0	0	0	0	0	113.1	K302 Y304 I305 G310	K302-A312 HydrophobicContact CB-CB 3.35Å; K302-A312 HydrophobicContact CD-CB 3.94Å; K302-A312 WeakPolarHBondContact CD-O 3.4Å; K302-A312 HydrophobicContact CG-CB 4.27Å; Y304-A312 CarbonylContact O-C 3.5Å; Y304-A312 WeakPolarHBondContact O-CA 3.48Å; I305-A312 HydrophobicContact CG1-CB 3.93Å; G310-A312 PolarHBondContact O-N 2.79Å
313	F	83	Confident	84	Confident	35 Å²	35	72.3 Å²	72.3	15%	0.154	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.5	-177.5	-58.3	-90	0	0	0	111.5	K302 Y304 C306 R311 N318 L319 H322	K302-F313 CarbonylContact C-O 3.53Å; K302-F313 VanDerWaalsContact CA-O 3.3Å; K302-F313 WeakPolarHBondContact CA-O 3.41Å; Y304-F313 WeakPolarHBondContact CB-O 3.19Å; Y304-F313 WeakPolarHBondContact CD2-O 3.24Å; Y304-F313 PolarHBondContact N-O 3.09Å; Y304-F313 VanDerWaalsContact N-O 3.12Å; Y304-F313 PolarHBondContact O-N 2.86Å; C306-F313 HydrophobicContact CB-CE2 4.43Å; R311-F313 HydrophobicContact CB-CE2 4.25Å; R311-F313 HydrophobicContact CB-CZ 4.42Å; R311-F313 HydrophobicContact CG-CE2 4.31Å; R311-F313 HydrophobicContact CG-CZ 4.09Å; R311-F313 VanDerWaalsContact O-CE2 3.32Å; R311-F313 WeakPolarHBondContact O-CE2 3.26Å; F313-N318 HydrophobicContact CB-CB 4.25Å; F313-N318 HydrophobicContact CD1-CB 3.93Å; F313-N318 HydrophobicContact CG-CB 4.34Å; F313-L319 HydrophobicContact CB-CB 4.37Å; F313-L319 HydrophobicContact CD2-CB 3.91Å; F313-L319 HydrophobicContact CD2-CD1 3.77Å; F313-L319 HydrophobicContact CD2-CG 4.45Å; F313-L319 HydrophobicContact CE2-CD1 3.94Å; F313-L319 HydrophobicContact CG-CB 4.3Å; F313-H322 HydrophobicContact CE1-CB 3.92Å; F313-H322 HydrophobicContact CE2-CB 3.8Å; F313-H322 AromaticContact CE2-CD2 3.34Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.31Å; F313-H322 AromaticContact CE2-CG 3.56Å; F313-H322 AromaticContact CE2-NE2 3.99Å; F313-H322 HydrophobicContact CZ-CB 3.37Å; F313-H322 AromaticContact CZ-CD2 3.44Å; F313-H322 VanDerWaalsContact CZ-CD2 3.44Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.5Å; F313-H322 AromaticContact CZ-CG 3.16Å; F313-H322 AromaticContact CZ-ND1 3.61Å; F313-H322 AromaticContact CZ-NE2 3.97Å
314	N	79.3	Confident	84.4	Confident	53 Å²	53	71.3 Å²	71.3	28%	0.283	37%	0.367	S	S	.	.	S	Bend	trans	-85.9	-7.4	176.6	60.7	13.3	0	0	0	113.7	I296	I296-N314 HydrophobicContact CG2-CB 3.96Å
315	Q	79.6	Confident	84.6	Confident	58 Å²	58	71.7 Å²	71.7	27%	0.271	37%	0.374	S	S	.	.	S	Bend	trans	-140.7	139	179.6	-64.7	179	29.7	0	0	110.4	R293 Y304 S317 N318 L319	R293-Q315 HydrophobicContact CG-CG 4.48Å; Y304-Q315 VanDerWaalsContact CD2-C 3.41Å; Q315-S317 VanDerWaalsContact C-N 3.31Å; Q315-S317 PolarHBondContact O-N 2.95Å; Q315-N318 HydrophobicContact CB-CB 4.35Å; Q315-N318 WeakPolarHBondContact O-CB 3.49Å; Q315-N318 PolarHBondContact O-N 2.98Å; Q315-N318 VanDerWaalsContact O-N 3.15Å; Q315-L319 PolarHBondContact O-N 3.35Å
316	S	81.8	Confident	84.7	Confident	62 Å²	62	70.1 Å²	70.1	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-58.7	-41.4	175.8	56.1	0	0	0	0	112.3	N318 L319 T320	S316-N318 PolarHBondContact O-N 3.5Å; S316-L319 WeakPolarHBondContact O-CB 3.15Å; S316-L319 PolarHBondContact O-N 3.44Å; S316-L319 VanDerWaalsContact O-N 3.1Å; S316-T320 PolarHBondContact O-N 2.81Å; S316-T320 PolarHBondContact O-OG1 3.43Å; S316-T320 VanDerWaalsContact O-OG1 3.11Å
317	S	82.4	Confident	84.6	Confident	49 Å²	49	74.9 Å²	74.9	34%	0.343	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-32.9	177.9	60.5	0	0	0	0	113	Q315 K321	Q315-S317 VanDerWaalsContact C-N 3.31Å; Q315-S317 PolarHBondContact O-N 2.95Å; S317-K321 VanDerWaalsContact O-CG 3.3Å; S317-K321 WeakPolarHBondContact O-CG 3.26Å; S317-K321 PolarHBondContact O-N 2.91Å; S317-K321 VanDerWaalsContact O-N 3.09Å
318	N	85.4	Confident	84.5	Confident	55 Å²	55	68.7 Å²	68.7	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-73.6	-40.1	175.6	-69.7	-22.1	0	0	0	111.1	F313 Q315 S316 K321 H322	F313-N318 HydrophobicContact CB-CB 4.25Å; F313-N318 HydrophobicContact CD1-CB 3.93Å; F313-N318 HydrophobicContact CG-CB 4.34Å; Q315-N318 HydrophobicContact CB-CB 4.35Å; Q315-N318 WeakPolarHBondContact O-CB 3.49Å; Q315-N318 PolarHBondContact O-N 2.98Å; Q315-N318 VanDerWaalsContact O-N 3.15Å; S316-N318 PolarHBondContact O-N 3.5Å; N318-K321 PolarHBondContact O-N 3.45Å; N318-H322 VanDerWaalsContact O-CB 3.32Å; N318-H322 WeakPolarHBondContact O-CB 3.43Å; N318-H322 PolarHBondContact O-N 3.34Å
319	L	86.4	Confident	84.7	Confident	20 Å²	20	65.2 Å²	65.2	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-45.7	171.6	174.6	62.8	0	0	0	111.1	C306 F313 Q315 S316 K321 H322 K323	C306-L319 HydrophobicContact CB-CD1 3.66Å; F313-L319 HydrophobicContact CB-CB 4.37Å; F313-L319 HydrophobicContact CD2-CB 3.91Å; F313-L319 HydrophobicContact CD2-CD1 3.77Å; F313-L319 HydrophobicContact CD2-CG 4.45Å; F313-L319 HydrophobicContact CE2-CD1 3.94Å; F313-L319 HydrophobicContact CG-CB 4.3Å; Q315-L319 PolarHBondContact O-N 3.35Å; S316-L319 WeakPolarHBondContact O-CB 3.15Å; S316-L319 PolarHBondContact O-N 3.44Å; S316-L319 VanDerWaalsContact O-N 3.1Å; L319-K321 PolarHBondContact O-N 3.09Å; L319-H322 CarbonylContact O-C 3.57Å; L319-H322 WeakPolarHBondContact O-CB 3.24Å; L319-H322 PolarHBondContact O-N 3.4Å; L319-H322 VanDerWaalsContact O-N 3.11Å; L319-K323 HydrophobicContact CD1-CG 4.21Å; L319-K323 HydrophobicContact CG-CG 4.46Å; L319-K323 WeakPolarHBondContact O-CG 3.38Å; L319-K323 PolarHBondContact O-N 3.42Å
320	T	82.8	Confident	84.8	Confident	81 Å²	81	67.8 Å²	67.8	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-45.6	177.4	-54.3	0	0	0	0	111.8	S316 H322 K323	S316-T320 PolarHBondContact O-N 2.81Å; S316-T320 PolarHBondContact O-OG1 3.43Å; S316-T320 VanDerWaalsContact O-OG1 3.11Å; T320-H322 VanDerWaalsContact C-N 3.29Å; T320-H322 PolarHBondContact O-N 3.47Å; T320-K323 PolarHBondContact O-N 2.76Å
321	K	85.4	Confident	85.1	Confident	93 Å²	93	68.1 Å²	68.1	40%	0.404	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-38.6	175	-72	171.2	-173.7	176.1	0	111.9	S317 N318 L319 R324	S317-K321 VanDerWaalsContact O-CG 3.3Å; S317-K321 WeakPolarHBondContact O-CG 3.26Å; S317-K321 PolarHBondContact O-N 2.91Å; S317-K321 VanDerWaalsContact O-N 3.09Å; N318-K321 PolarHBondContact O-N 3.45Å; L319-K321 PolarHBondContact O-N 3.09Å; K321-R324 WeakPolarHBondContact O-CB 3.43Å; K321-R324 PolarHBondContact O-N 3.45Å
322	H	87.4	Confident	85.3	Confident	17 Å²	17	64.2 Å²	64.2	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-68.1	-40.1	177.9	170.2	71.2	0	0	0	112.6	C309 F313 N318 L319 T320 R324 I325 H326	C309-H322 PolarHBondContact SG-NE2 3.1Å; F313-H322 HydrophobicContact CE1-CB 3.92Å; F313-H322 HydrophobicContact CE2-CB 3.8Å; F313-H322 AromaticContact CE2-CD2 3.34Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.31Å; F313-H322 AromaticContact CE2-CG 3.56Å; F313-H322 AromaticContact CE2-NE2 3.99Å; F313-H322 HydrophobicContact CZ-CB 3.37Å; F313-H322 AromaticContact CZ-CD2 3.44Å; F313-H322 VanDerWaalsContact CZ-CD2 3.44Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.5Å; F313-H322 AromaticContact CZ-CG 3.16Å; F313-H322 AromaticContact CZ-ND1 3.61Å; F313-H322 AromaticContact CZ-NE2 3.97Å; N318-H322 VanDerWaalsContact O-CB 3.32Å; N318-H322 WeakPolarHBondContact O-CB 3.43Å; N318-H322 PolarHBondContact O-N 3.34Å; L319-H322 CarbonylContact O-C 3.57Å; L319-H322 WeakPolarHBondContact O-CB 3.24Å; L319-H322 PolarHBondContact O-N 3.4Å; L319-H322 VanDerWaalsContact O-N 3.11Å; T320-H322 VanDerWaalsContact C-N 3.29Å; T320-H322 PolarHBondContact O-N 3.47Å; H322-R324 PolarHBondContact O-N 2.81Å; H322-R324 VanDerWaalsContact O-N 3.1Å; H322-I325 VanDerWaalsContact O-CB 3.24Å; H322-I325 WeakPolarHBondContact O-CB 3.45Å; H322-I325 WeakPolarHBondContact O-CG1 3.39Å; H322-I325 PolarHBondContact O-N 3.09Å; H322-H326 AromaticContact CE1-NE2 3.71Å; H322-H326 AromaticContact NE2-NE2 3.24Å; H322-H326 PolarHBondContact NE2-NE2 3.13Å
323	K	84.5	Confident	85.7	Confident	92 Å²	92	69.4 Å²	69.4	40%	0.4	36%	0.364	S	S	.	.	H	α-helix	trans	-55.5	-30	177	-76.1	-171	175.3	-164	0	112.5	L319 T320 I325 H326 T327	L319-K323 HydrophobicContact CD1-CG 4.21Å; L319-K323 HydrophobicContact CG-CG 4.46Å; L319-K323 WeakPolarHBondContact O-CG 3.38Å; L319-K323 PolarHBondContact O-N 3.42Å; T320-K323 PolarHBondContact O-N 2.76Å; K323-I325 PolarHBondContact O-N 3.24Å; K323-I325 VanDerWaalsContact O-N 3.17Å; K323-H326 PolarHBondContact O-N 3.26Å; K323-T327 PolarHBondContact O-N 3Å
324	R	88.7	Confident	86.1	Confident	53 Å²	53	67.8 Å²	67.8	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-60.1	-22.4	173.8	-62.1	-178.5	179.6	170.2	-2.7	114.2	K321 H322 H326 T327 G328 D329 N342	K321-R324 WeakPolarHBondContact O-CB 3.43Å; K321-R324 PolarHBondContact O-N 3.45Å; H322-R324 PolarHBondContact O-N 2.81Å; H322-R324 VanDerWaalsContact O-N 3.1Å; R324-H326 VanDerWaalsContact C-N 3.35Å; R324-T327 WeakPolarHBondContact CA-OG1 3.46Å; R324-G328 CarbonylContact O-C 3.32Å; R324-G328 WeakPolarHBondContact O-CA 3.44Å; R324-G328 PolarHBondContact O-N 3.1Å; R324-G328 VanDerWaalsContact O-N 3.08Å; R324-D329 HydrophobicContact CB-CB 4.31Å; R324-D329 HydrophobicContact CG-CB 4.28Å; R324-D329 IonicContact NE-OD2 3.84Å; R324-D329 PolarHBondContact O-N 2.89Å; R324-N342 HydrophobicContact CB-CB 4.12Å; R324-N342 WeakPolarHBondContact CD-O 3.45Å; R324-N342 PolarHBondContact NH1-O 3.04Å
325	I	87.2	Confident	86.7	Confident	103 Å²	103	73.1 Å²	73.1	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-37.7	175.1	-58.8	175.1	0	0	0	110.3	H322 K323	H322-I325 VanDerWaalsContact O-CB 3.24Å; H322-I325 WeakPolarHBondContact O-CB 3.45Å; H322-I325 WeakPolarHBondContact O-CG1 3.39Å; H322-I325 PolarHBondContact O-N 3.09Å; K323-I325 PolarHBondContact O-N 3.24Å; K323-I325 VanDerWaalsContact O-N 3.17Å
326	H	85.8	Confident	87.1	Confident	70 Å²	70	76.1 Å²	76.1	32%	0.324	39%	0.394	S	S	.	.	H	α-helix	trans	-76.9	-39.2	179.8	-60	-52.6	0	0	0	112.3	C306 H308 C309 H322 K323 R324 G328	C306-H326 VanDerWaalsContact SG-CD2 3.56Å; C306-H326 PolarHBondContact SG-NE2 3.17Å; C306-H326 VanDerWaalsContact SG-NE2 3.4Å; H308-H326 AromaticContact CD2-CE1 3.63Å; H308-H326 AromaticContact CD2-CG 3.55Å; H308-H326 AromaticContact CD2-ND1 3.26Å; H308-H326 PolarHBondContact CD2-ND1 3.27Å; H308-H326 VanDerWaalsContact CD2-ND1 3.26Å; C309-H326 PolarHBondContact SG-NE2 3.4Å; H322-H326 AromaticContact CE1-NE2 3.71Å; H322-H326 AromaticContact NE2-NE2 3.24Å; H322-H326 PolarHBondContact NE2-NE2 3.13Å; K323-H326 PolarHBondContact O-N 3.26Å; R324-H326 VanDerWaalsContact C-N 3.35Å; H326-G328 VanDerWaalsContact C-N 3.27Å; H326-G328 PolarHBondContact O-N 3.11Å
327	T	85.9	Confident	87.5	Confident	102 Å²	102	75.8 Å²	75.8	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-79.9	-10.5	178.7	61.6	0	0	0	0	113.2	K323 R324 D329	K323-T327 PolarHBondContact O-N 3Å; R324-T327 WeakPolarHBondContact CA-OG1 3.46Å; T327-D329 PolarHBondContact O-N 3.19Å; T327-D329 VanDerWaalsContact OG1-CB 3.27Å; T327-D329 WeakPolarHBondContact OG1-CB 3.44Å; T327-D329 PolarHBondContact OG1-N 3.33Å
328	G	85.5	Confident	87.8	Confident	49 Å²	49	76.1 Å²	76.1	51%	0.505	40%	0.402	S	S	.	.			trans	67.4	7.7	-171.4	0	0	0	0	0	114	R324 H326 K330	R324-G328 CarbonylContact O-C 3.32Å; R324-G328 WeakPolarHBondContact O-CA 3.44Å; R324-G328 PolarHBondContact O-N 3.1Å; R324-G328 VanDerWaalsContact O-N 3.08Å; H326-G328 VanDerWaalsContact C-N 3.27Å; H326-G328 PolarHBondContact O-N 3.11Å; G328-K330 PolarHBondContact O-N 3.48Å
329	D	88.5	Confident	88.1	Confident	74 Å²	74	79.5 Å²	79.5	40%	0.396	41%	0.414	S	S	.	.			trans	-62.9	121.5	-176.9	179.5	26.2	0	0	0	110.9	R324 T327 P331	R324-D329 HydrophobicContact CB-CB 4.31Å; R324-D329 HydrophobicContact CG-CB 4.28Å; R324-D329 IonicContact NE-OD2 3.84Å; R324-D329 PolarHBondContact O-N 2.89Å; T327-D329 PolarHBondContact O-N 3.19Å; T327-D329 VanDerWaalsContact OG1-CB 3.27Å; T327-D329 WeakPolarHBondContact OG1-CB 3.44Å; T327-D329 PolarHBondContact OG1-N 3.33Å; D329-P331 WeakPolarHBondContact OD1-CD 3.45Å; D329-P331 WeakPolarHBondContact OD1-CG 3.41Å; D329-P331 WeakPolarHBondContact OD2-CG 3.45Å
330	K	90	Very high	88.3	Confident	115 Å²	115	80 Å²	80	50%	0.5	42%	0.421	S	S	.	.			trans	-128.4	76.4	-179.1	-71	168.1	175.8	-177.2	0	109.7	G328 Y332 A340 F341	G328-K330 PolarHBondContact O-N 3.48Å; K330-Y332 PolarHBondContact O-N 2.84Å; K330-Y332 VanDerWaalsContact O-N 3.15Å; K330-A340 HydrophobicContact CB-CB 3.56Å; K330-A340 HydrophobicContact CD-CB 4.05Å; K330-A340 WeakPolarHBondContact CD-O 3.35Å; K330-A340 HydrophobicContact CG-CB 4.4Å; K330-F341 CarbonylContact C-O 3.56Å; K330-F341 VanDerWaalsContact C-O 3.3Å; K330-F341 VanDerWaalsContact CA-O 3.3Å; K330-F341 WeakPolarHBondContact CA-O 3.43Å
331	P	88	Confident	88.6	Confident	62 Å²	62	78.1 Å²	78.1	40%	0.403	41%	0.406	S	S	.	.			trans	-65.8	-19.9	-173.9	-21.1	32.7	0	0	0	114	D329	D329-P331 WeakPolarHBondContact OD1-CD 3.45Å; D329-P331 WeakPolarHBondContact OD1-CG 3.41Å; D329-P331 WeakPolarHBondContact OD2-CG 3.45Å
332	Y	90.6	Very high	88.7	Confident	78 Å²	78	76 Å²	76	31%	0.306	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	97.2	-170.9	-53.3	-72.4	0	0	0	110.3	K330 A340 F341 S344	K330-Y332 PolarHBondContact O-N 2.84Å; K330-Y332 VanDerWaalsContact O-N 3.15Å; Y332-A340 CarbonylContact O-C 3.53Å; Y332-A340 WeakPolarHBondContact O-CA 3.43Å; Y332-F341 WeakPolarHBondContact CD2-O 3.28Å; Y332-F341 PolarHBondContact N-O 3.31Å; Y332-F341 VanDerWaalsContact N-O 3.12Å; Y332-F341 PolarHBondContact O-N 3.46Å; Y332-S344 VanDerWaalsContact CD2-N 3.32Å; Y332-S344 VanDerWaalsContact CE2-N 3.28Å
333	K	90.5	Very high	88.7	Confident	136 Å²	136	76.5 Å²	76.5	59%	0.591	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.1	178.2	-63.3	-175.6	-179.6	179	0	111.5	A340 L347	K333-A340 HydrophobicContact CG-CB 3.88Å; K333-L347 WeakPolarHBondContact O-CD2 3.33Å
334	C	92.8	Very high	88.8	Confident	1 Å²	1	75 Å²	75	1%	0.007	40%	0.404	C	S	.	.			trans	-89.6	117.5	169	-179.6	0	0	0	0	108.5	E336 C337 G338 K339 F341 L347	C334-E336 PolarHBondContact O-N 3.04Å; C334-C337 VanDerWaalsContact SG-SG 3.68Å; C334-G338 WeakPolarHBondContact O-CA 3.48Å; C334-G338 PolarHBondContact O-N 2.88Å; C334-K339 WeakPolarHBondContact CB-O 3.36Å; C334-K339 PolarHBondContact N-O 3.07Å; C334-F341 HydrophobicContact CB-CE2 4.4Å; C334-L347 HydrophobicContact CB-CD1 3.62Å
335	E	91.3	Very high	88.8	Confident	166 Å²	166	76 Å²	76	78%	0.776	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.3	179.6	-57.2	-52.7	137.4	0	0	112.7
336	E	88.7	Confident	88.9	Confident	121 Å²	121	73.2 Å²	73.2	57%	0.565	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-29.7	-175	-64.9	175	-136.7	0	0	113.9	C334 H354	C334-E336 PolarHBondContact O-N 3.04Å; E336-H354 WeakPolarHBondContact OE2-CB 3.48Å; E336-H354 IonicContact OE2-CD2 3.41Å; E336-H354 IonicContact OE2-CG 3.28Å; E336-H354 IonicContact OE2-ND1 3.87Å
337	C	90.3	Very high	89.1	Confident	54 Å²	54	70.8 Å²	70.8	37%	0.365	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	7.2	-179.2	70.7	0	0	0	0	114.8	C334 K339 H350 H354	C334-C337 VanDerWaalsContact SG-SG 3.68Å; C337-K339 PolarHBondContact O-N 3.44Å; C337-H350 PolarHBondContact SG-NE2 2.95Å; C337-H354 PolarHBondContact SG-NE2 3.43Å; C337-H354 VanDerWaalsContact SG-NE2 3.4Å
338	G	88.3	Confident	89.3	Confident	56 Å²	56	70 Å²	70	58%	0.577	39%	0.392	S	S	*	.			trans	68.5	-3.2	-179.7	0	0	0	0	0	115.3	C334 A340	C334-G338 WeakPolarHBondContact O-CA 3.48Å; C334-G338 PolarHBondContact O-N 2.88Å; G338-A340 PolarHBondContact O-N 3.26Å
339	K	90.8	Very high	89.4	Confident	126 Å²	126	71.1 Å²	71.1	55%	0.548	38%	0.384	S	S	.	.			trans	-67.3	131.5	-177.7	-74.8	-178.1	179.7	174.3	0	111.5	C334 C337 F341	C334-K339 WeakPolarHBondContact CB-O 3.36Å; C334-K339 PolarHBondContact N-O 3.07Å; C337-K339 PolarHBondContact O-N 3.44Å; K339-F341 HydrophobicContact CB-CE2 3.98Å; K339-F341 HydrophobicContact CB-CZ 4.12Å; K339-F341 WeakPolarHBondContact O-CE2 3.33Å
340	A	90.9	Very high	89.6	Confident	30 Å²	30	68.5 Å²	68.5	25%	0.248	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.3	-178.7	0	0	0	0	0	112.4	K330 Y332 K333 G338	K330-A340 HydrophobicContact CB-CB 3.56Å; K330-A340 HydrophobicContact CD-CB 4.05Å; K330-A340 WeakPolarHBondContact CD-O 3.35Å; K330-A340 HydrophobicContact CG-CB 4.4Å; Y332-A340 CarbonylContact O-C 3.53Å; Y332-A340 WeakPolarHBondContact O-CA 3.43Å; K333-A340 HydrophobicContact CG-CB 3.88Å; G338-A340 PolarHBondContact O-N 3.26Å
341	F	89.5	Confident	89.5	Confident	43 Å²	43	67.2 Å²	67.2	19%	0.189	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.6	-176.7	-57.7	-90.4	0	0	0	111.2	K330 Y332 C334 K339 L347 H350	K330-F341 CarbonylContact C-O 3.56Å; K330-F341 VanDerWaalsContact C-O 3.3Å; K330-F341 VanDerWaalsContact CA-O 3.3Å; K330-F341 WeakPolarHBondContact CA-O 3.43Å; Y332-F341 WeakPolarHBondContact CD2-O 3.28Å; Y332-F341 PolarHBondContact N-O 3.31Å; Y332-F341 VanDerWaalsContact N-O 3.12Å; Y332-F341 PolarHBondContact O-N 3.46Å; C334-F341 HydrophobicContact CB-CE2 4.4Å; K339-F341 HydrophobicContact CB-CE2 3.98Å; K339-F341 HydrophobicContact CB-CZ 4.12Å; K339-F341 WeakPolarHBondContact O-CE2 3.33Å; F341-L347 HydrophobicContact CB-CB 4.37Å; F341-L347 HydrophobicContact CD2-CB 3.88Å; F341-L347 HydrophobicContact CD2-CD1 3.73Å; F341-L347 HydrophobicContact CD2-CG 4.4Å; F341-L347 HydrophobicContact CE2-CD1 3.85Å; F341-L347 HydrophobicContact CG-CB 4.28Å; F341-H350 HydrophobicContact CE1-CB 4.05Å; F341-H350 HydrophobicContact CE2-CB 3.94Å; F341-H350 AromaticContact CE2-CD2 3.41Å; F341-H350 VanDerWaalsContact CE2-CD2 3.41Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.68Å; F341-H350 HydrophobicContact CZ-CB 3.5Å; F341-H350 VanDerWaalsContact CZ-CB 3.5Å; F341-H350 AromaticContact CZ-CD2 3.41Å; F341-H350 VanDerWaalsContact CZ-CD2 3.41Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.44Å; F341-H350 AromaticContact CZ-CG 3.23Å; F341-H350 AromaticContact CZ-ND1 3.7Å; F341-H350 AromaticContact CZ-NE2 3.91Å
342	N	87.1	Confident	89.7	Confident	47 Å²	47	66.8 Å²	66.8	25%	0.251	35%	0.354	S	S	.	.	S	Bend	trans	-84.1	-16.1	178.7	59.3	9.6	0	0	0	113.3	R324	R324-N342 HydrophobicContact CB-CB 4.12Å; R324-N342 WeakPolarHBondContact CD-O 3.45Å; R324-N342 PolarHBondContact NH1-O 3.04Å
343	V	87.8	Confident	89.7	Confident	28 Å²	28	68 Å²	68	17%	0.17	37%	0.365	C	S	.	.	S	Bend	trans	-129.9	140	179.9	-177.5	0	0	0	0	110.5	S345 T346 L347	V343-S345 VanDerWaalsContact CG1-OG 3.31Å; V343-S345 WeakPolarHBondContact CG1-OG 3.43Å; V343-S345 PolarHBondContact O-N 3.34Å; V343-T346 HydrophobicContact CB-CG2 4.45Å; V343-T346 PolarHBondContact O-N 3.22Å; V343-T346 PolarHBondContact O-OG1 3.15Å; V343-L347 PolarHBondContact O-N 2.88Å
344	S	87.8	Confident	89.6	Confident	60 Å²	60	65 Å²	65	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-39.7	-178.7	55.9	0	0	0	0	112.8	Y332 T346 L347 T348	Y332-S344 VanDerWaalsContact CD2-N 3.32Å; Y332-S344 VanDerWaalsContact CE2-N 3.28Å; S344-T346 VanDerWaalsContact C-N 3.26Å; S344-T346 PolarHBondContact O-N 3.27Å; S344-L347 WeakPolarHBondContact O-CB 3.14Å; S344-L347 PolarHBondContact O-N 2.89Å; S344-T348 PolarHBondContact O-N 3.34Å; S344-T348 PolarHBondContact O-OG1 3.46Å
345	S	87.5	Confident	89.4	Confident	75 Å²	75	69.2 Å²	69.2	52%	0.524	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-33	179.4	60.6	0	0	0	0	112.9	V343 T348 Q349	V343-S345 VanDerWaalsContact CG1-OG 3.31Å; V343-S345 WeakPolarHBondContact CG1-OG 3.43Å; V343-S345 PolarHBondContact O-N 3.34Å; S345-T348 PolarHBondContact O-N 3.35Å; S345-Q349 WeakPolarHBondContact O-CB 3.35Å; S345-Q349 PolarHBondContact O-N 3.43Å
346	T	89.1	Confident	89.2	Confident	44 Å²	44	63.5 Å²	63.5	27%	0.27	37%	0.365	S	S	.	.	H	α-helix	trans	-71.6	-34.7	175.1	50.4	0	0	0	0	111.7	V343 S344 H350	V343-T346 HydrophobicContact CB-CG2 4.45Å; V343-T346 PolarHBondContact O-N 3.22Å; V343-T346 PolarHBondContact O-OG1 3.15Å; S344-T346 VanDerWaalsContact C-N 3.26Å; S344-T346 PolarHBondContact O-N 3.27Å; T346-H350 VanDerWaalsContact O-CB 3.23Å; T346-H350 WeakPolarHBondContact O-CB 3.47Å; T346-H350 PolarHBondContact O-N 3.47Å
347	L	91.1	Very high	89.2	Confident	20 Å²	20	62.4 Å²	62.4	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-46.4	171.1	172.6	64.2	0	0	0	110.9	K333 C334 F341 V343 S344 Q349 H350 K351	K333-L347 WeakPolarHBondContact O-CD2 3.33Å; C334-L347 HydrophobicContact CB-CD1 3.62Å; F341-L347 HydrophobicContact CB-CB 4.37Å; F341-L347 HydrophobicContact CD2-CB 3.88Å; F341-L347 HydrophobicContact CD2-CD1 3.73Å; F341-L347 HydrophobicContact CD2-CG 4.4Å; F341-L347 HydrophobicContact CE2-CD1 3.85Å; F341-L347 HydrophobicContact CG-CB 4.28Å; V343-L347 PolarHBondContact O-N 2.88Å; S344-L347 WeakPolarHBondContact O-CB 3.14Å; S344-L347 PolarHBondContact O-N 2.89Å; L347-Q349 VanDerWaalsContact C-N 3.31Å; L347-Q349 PolarHBondContact O-N 2.9Å; L347-H350 WeakPolarHBondContact O-CB 3.4Å; L347-H350 PolarHBondContact O-N 3.49Å; L347-H350 VanDerWaalsContact O-N 3.11Å; L347-K351 HydrophobicContact CD1-CG 4.32Å; L347-K351 WeakPolarHBondContact O-CG 3.22Å; L347-K351 PolarHBondContact O-N 2.79Å
348	T	88.4	Confident	89.3	Confident	84 Å²	84	65.4 Å²	65.4	52%	0.515	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-44.6	177.3	-55.4	0	0	0	0	111.7	S344 S345 H350 K351	S344-T348 PolarHBondContact O-N 3.34Å; S344-T348 PolarHBondContact O-OG1 3.46Å; S345-T348 PolarHBondContact O-N 3.35Å; T348-H350 VanDerWaalsContact C-N 3.33Å; T348-K351 PolarHBondContact O-N 3.14Å
349	Q	89.4	Confident	89.4	Confident	73 Å²	73	65.6 Å²	65.6	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-40.1	174.9	179.7	-177.1	42.3	0	0	112	S345 L347 R352 V371	S345-Q349 WeakPolarHBondContact O-CB 3.35Å; S345-Q349 PolarHBondContact O-N 3.43Å; L347-Q349 VanDerWaalsContact C-N 3.31Å; L347-Q349 PolarHBondContact O-N 2.9Å; Q349-R352 WeakPolarHBondContact O-CB 3.34Å; Q349-R352 PolarHBondContact O-N 2.86Å; Q349-V371 HydrophobicContact CG-CG2 4.11Å
350	H	91.3	Very high	89.5	Confident	19 Å²	19	63.2 Å²	63.2	9%	0.088	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-40.5	177.5	172.7	67.4	0	0	0	112.4	C337 F341 T346 L347 T348 R352 I353 H354	C337-H350 PolarHBondContact SG-NE2 2.95Å; F341-H350 HydrophobicContact CE1-CB 4.05Å; F341-H350 HydrophobicContact CE2-CB 3.94Å; F341-H350 AromaticContact CE2-CD2 3.41Å; F341-H350 VanDerWaalsContact CE2-CD2 3.41Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.36Å; F341-H350 AromaticContact CE2-CG 3.68Å; F341-H350 HydrophobicContact CZ-CB 3.5Å; F341-H350 VanDerWaalsContact CZ-CB 3.5Å; F341-H350 AromaticContact CZ-CD2 3.41Å; F341-H350 VanDerWaalsContact CZ-CD2 3.41Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.44Å; F341-H350 AromaticContact CZ-CG 3.23Å; F341-H350 AromaticContact CZ-ND1 3.7Å; F341-H350 AromaticContact CZ-NE2 3.91Å; T346-H350 VanDerWaalsContact O-CB 3.23Å; T346-H350 WeakPolarHBondContact O-CB 3.47Å; T346-H350 PolarHBondContact O-N 3.47Å; L347-H350 WeakPolarHBondContact O-CB 3.4Å; L347-H350 PolarHBondContact O-N 3.49Å; L347-H350 VanDerWaalsContact O-N 3.11Å; T348-H350 VanDerWaalsContact C-N 3.33Å; H350-R352 PolarHBondContact O-N 3.14Å; H350-R352 VanDerWaalsContact O-N 3.1Å; H350-I353 VanDerWaalsContact O-CB 3.24Å; H350-I353 WeakPolarHBondContact O-CB 3.33Å; H350-I353 WeakPolarHBondContact O-CG1 3.34Å; H350-I353 PolarHBondContact O-N 2.85Å; H350-H354 AromaticContact CE1-NE2 3.88Å; H350-H354 AromaticContact NE2-NE2 3.38Å; H350-H354 PolarHBondContact NE2-NE2 3.42Å
351	K	89.1	Confident	89.5	Confident	89 Å²	89	68.1 Å²	68.1	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-55.6	-29.1	176.9	-74.2	-172.1	175.4	-163.1	0	113.1	L347 T348 I353 H354 T355	L347-K351 HydrophobicContact CD1-CG 4.32Å; L347-K351 WeakPolarHBondContact O-CG 3.22Å; L347-K351 PolarHBondContact O-N 2.79Å; T348-K351 PolarHBondContact O-N 3.14Å; K351-I353 PolarHBondContact O-N 3.24Å; K351-I353 VanDerWaalsContact O-N 3.16Å; K351-H354 PolarHBondContact O-N 3.11Å; K351-T355 PolarHBondContact O-N 3.31Å; K351-T355 VanDerWaalsContact O-N 3.16Å
352	R	91.3	Very high	89.7	Confident	53 Å²	53	66.1 Å²	66.1	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-21	174.4	-61.2	-177.5	174	167.1	-1.4	114.2	Q349 H350 H354 T355 G356 E357 N370	Q349-R352 WeakPolarHBondContact O-CB 3.34Å; Q349-R352 PolarHBondContact O-N 2.86Å; H350-R352 PolarHBondContact O-N 3.14Å; H350-R352 VanDerWaalsContact O-N 3.1Å; R352-H354 VanDerWaalsContact C-N 3.33Å; R352-T355 WeakPolarHBondContact CA-OG1 3.18Å; R352-G356 CarbonylContact O-C 3.59Å; R352-G356 WeakPolarHBondContact O-CA 3.37Å; R352-G356 PolarHBondContact O-N 3.44Å; R352-E357 HydrophobicContact CB-CB 4.36Å; R352-E357 HydrophobicContact CG-CB 4.33Å; R352-E357 IonicContact NE-OE2 2.67Å; R352-E357 PolarHBondContact O-N 3.11Å; R352-N370 HydrophobicContact CB-CB 4.23Å; R352-N370 PolarHBondContact NH1-O 2.95Å
353	I	89.8	Confident	90	Very high	104 Å²	104	71.6 Å²	71.6	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-69.5	-37.8	174.9	-59.9	176.4	0	0	0	110	H350 K351	H350-I353 VanDerWaalsContact O-CB 3.24Å; H350-I353 WeakPolarHBondContact O-CB 3.33Å; H350-I353 WeakPolarHBondContact O-CG1 3.34Å; H350-I353 PolarHBondContact O-N 2.85Å; K351-I353 PolarHBondContact O-N 3.24Å; K351-I353 VanDerWaalsContact O-N 3.16Å
354	H	89.1	Confident	90	Very high	72 Å²	72	75.9 Å²	75.9	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-77.3	-42.7	179.6	-61.2	-65.1	0	0	0	112.5	E336 C337 H350 K351 R352 G356	E336-H354 WeakPolarHBondContact OE2-CB 3.48Å; E336-H354 IonicContact OE2-CD2 3.41Å; E336-H354 IonicContact OE2-CG 3.28Å; E336-H354 IonicContact OE2-ND1 3.87Å; C337-H354 PolarHBondContact SG-NE2 3.43Å; C337-H354 VanDerWaalsContact SG-NE2 3.4Å; H350-H354 AromaticContact CE1-NE2 3.88Å; H350-H354 AromaticContact NE2-NE2 3.38Å; H350-H354 PolarHBondContact NE2-NE2 3.42Å; K351-H354 PolarHBondContact O-N 3.11Å; R352-H354 VanDerWaalsContact C-N 3.33Å; H354-G356 PolarHBondContact O-N 3.16Å
355	T	87.9	Confident	90.2	Very high	90 Å²	90	75.5 Å²	75.5	55%	0.552	39%	0.391	S	S	*	.	H	α-helix	trans	-75	-13.2	177.9	63.5	0	0	0	0	113.2	K351 R352 E357	K351-T355 PolarHBondContact O-N 3.31Å; K351-T355 VanDerWaalsContact O-N 3.16Å; R352-T355 WeakPolarHBondContact CA-OG1 3.18Å; T355-E357 PolarHBondContact O-N 3.02Å; T355-E357 WeakPolarHBondContact OG1-CB 3.28Å; T355-E357 PolarHBondContact OG1-N 3.17Å
356	G	87.5	Confident	90.3	Very high	46 Å²	46	74.7 Å²	74.7	47%	0.474	39%	0.394	S	S	.	.			trans	68.9	7.2	-173	0	0	0	0	0	114.2	R352 H354 K358	R352-G356 CarbonylContact O-C 3.59Å; R352-G356 WeakPolarHBondContact O-CA 3.37Å; R352-G356 PolarHBondContact O-N 3.44Å; H354-G356 PolarHBondContact O-N 3.16Å; G356-K358 PolarHBondContact O-N 3.41Å
357	E	89.6	Confident	90.5	Very high	97 Å²	97	78.6 Å²	78.6	45%	0.453	41%	0.408	S	S	.	.			trans	-62.4	121.7	-177.1	-167.3	-163.1	161.2	0	0	110.8	R352 T355 P359	R352-E357 HydrophobicContact CB-CB 4.36Å; R352-E357 HydrophobicContact CG-CB 4.33Å; R352-E357 IonicContact NE-OE2 2.67Å; R352-E357 PolarHBondContact O-N 3.11Å; T355-E357 PolarHBondContact O-N 3.02Å; T355-E357 WeakPolarHBondContact OG1-CB 3.28Å; T355-E357 PolarHBondContact OG1-N 3.17Å; E357-P359 HydrophobicContact CG-CG 3.94Å; E357-P359 VanDerWaalsContact OE1-CG 3.32Å; E357-P359 WeakPolarHBondContact OE1-CG 3.38Å
358	K	91.3	Very high	90.5	Very high	118 Å²	118	79 Å²	79	51%	0.513	41%	0.414	S	S	.	.			trans	-125.8	79.1	178.3	-70.9	169.3	172.9	-174.8	0	110.3	G356 Y360 A368 F369	G356-K358 PolarHBondContact O-N 3.41Å; K358-Y360 PolarHBondContact O-N 3.14Å; K358-A368 HydrophobicContact CB-CB 3.57Å; K358-A368 HydrophobicContact CD-CB 4.08Å; K358-A368 WeakPolarHBondContact CD-O 3.19Å; K358-A368 HydrophobicContact CG-CB 4.43Å; K358-F369 CarbonylContact C-O 3.56Å; K358-F369 VanDerWaalsContact C-O 3.29Å; K358-F369 VanDerWaalsContact CA-O 3.31Å; K358-F369 WeakPolarHBondContact CA-O 3.48Å
359	P	90.3	Very high	90.6	Very high	59 Å²	59	77 Å²	77	38%	0.383	40%	0.399	S	S	.	.			trans	-66.3	-20.6	-173.3	-23	35.6	0	0	0	114	E357	E357-P359 HydrophobicContact CG-CG 3.94Å; E357-P359 VanDerWaalsContact OE1-CG 3.32Å; E357-P359 WeakPolarHBondContact OE1-CG 3.38Å
360	Y	92.8	Very high	90.6	Very high	76 Å²	76	75.8 Å²	75.8	30%	0.298	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	95.1	-170.3	-53.7	-72.1	0	0	0	109.8	K358 A368 F369 S372	K358-Y360 PolarHBondContact O-N 3.14Å; Y360-A368 CarbonylContact O-C 3.53Å; Y360-A368 WeakPolarHBondContact O-CA 3.22Å; Y360-F369 WeakPolarHBondContact CD2-O 3.43Å; Y360-F369 PolarHBondContact N-O 3.41Å; Y360-F369 VanDerWaalsContact N-O 3.12Å; Y360-F369 PolarHBondContact O-N 3.35Å; Y360-S372 VanDerWaalsContact CD2-N 3.31Å; Y360-S372 VanDerWaalsContact CE2-N 3.3Å
361	K	92.1	Very high	90.5	Very high	133 Å²	133	76 Å²	76	58%	0.578	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	143.4	178.2	-63.3	-174.8	179.7	-179.8	0	111.4	A368 L375	K361-A368 HydrophobicContact CG-CB 3.87Å; K361-L375 WeakPolarHBondContact O-CD2 3.44Å
362	C	93.8	Very high	90.6	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.007	40%	0.398	C	S	.	.			trans	-90.8	116.1	169.8	178.8	0	0	0	0	108.4	E364 G366 K367 F369 L375 H382	C362-E364 VanDerWaalsContact C-N 3.27Å; C362-E364 PolarHBondContact O-N 2.96Å; C362-G366 WeakPolarHBondContact O-CA 3.49Å; C362-G366 PolarHBondContact O-N 3.23Å; C362-K367 VanDerWaalsContact CB-O 3.3Å; C362-K367 WeakPolarHBondContact CB-O 3.41Å; C362-K367 PolarHBondContact N-O 2.72Å; C362-F369 HydrophobicContact CB-CE2 4.44Å; C362-L375 HydrophobicContact CB-CD1 3.6Å; C362-H382 PolarHBondContact SG-NE2 2.97Å; C362-H382 VanDerWaalsContact SG-NE2 3.38Å
363	E	92.1	Very high	90.5	Very high	162 Å²	162	75.5 Å²	75.5	76%	0.757	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.7	-179.8	-55.6	-51.3	138.3	0	0	112.8
364	E	89.8	Confident	90.5	Very high	119 Å²	119	72.7 Å²	72.7	56%	0.556	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.4	-176.1	-68.9	163.3	-147.3	0	0	113.8	C362 H382	C362-E364 VanDerWaalsContact C-N 3.27Å; C362-E364 PolarHBondContact O-N 2.96Å; E364-H382 WeakPolarHBondContact OE2-CB 3.44Å; E364-H382 IonicContact OE2-CD2 3.09Å; E364-H382 PolarHBondContact OE2-CD2 3.49Å; E364-H382 IonicContact OE2-CG 3.14Å; E364-H382 IonicContact OE2-NE2 3.14Å
365	C	91.6	Very high	90.7	Very high	52 Å²	52	70.2 Å²	70.2	35%	0.351	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	8.1	-177.6	72.3	0	0	0	0	114.7	K367 H378 H382	C365-K367 PolarHBondContact O-N 3.47Å; C365-H378 PolarHBondContact SG-NE2 2.88Å; C365-H382 PolarHBondContact SG-NE2 3.45Å; C365-H382 VanDerWaalsContact SG-NE2 3.44Å
366	G	89.8	Confident	90.8	Very high	57 Å²	57	69.9 Å²	69.9	59%	0.588	39%	0.388	S	S	*	.			trans	68.4	-6.1	-178.9	0	0	0	0	0	115.8	C362 A368	C362-G366 WeakPolarHBondContact O-CA 3.49Å; C362-G366 PolarHBondContact O-N 3.23Å; G366-A368 PolarHBondContact O-N 3.16Å
367	K	91.4	Very high	90.9	Very high	127 Å²	127	71.8 Å²	71.8	55%	0.552	38%	0.384	S	S	*	.			trans	-65.5	130.7	-176.8	-72.6	-179.5	-179.1	173.5	0	111.6	C362 C365 F369	C362-K367 VanDerWaalsContact CB-O 3.3Å; C362-K367 WeakPolarHBondContact CB-O 3.41Å; C362-K367 PolarHBondContact N-O 2.72Å; C365-K367 PolarHBondContact O-N 3.47Å; K367-F369 HydrophobicContact CB-CE2 4.01Å; K367-F369 HydrophobicContact CB-CZ 4.11Å; K367-F369 WeakPolarHBondContact O-CE2 3.29Å
368	A	92.1	Very high	91	Very high	29 Å²	29	68 Å²	68	24%	0.24	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.8	-178.5	0	0	0	0	0	112.4	K358 Y360 K361 G366	K358-A368 HydrophobicContact CB-CB 3.57Å; K358-A368 HydrophobicContact CD-CB 4.08Å; K358-A368 WeakPolarHBondContact CD-O 3.19Å; K358-A368 HydrophobicContact CG-CB 4.43Å; Y360-A368 CarbonylContact O-C 3.53Å; Y360-A368 WeakPolarHBondContact O-CA 3.22Å; K361-A368 HydrophobicContact CG-CB 3.87Å; G366-A368 PolarHBondContact O-N 3.16Å
369	F	90.6	Very high	91	Very high	42 Å²	42	66.7 Å²	66.7	18%	0.184	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.6	-177.2	-56.6	-89.9	0	0	0	111.2	K358 Y360 C362 K367 L375 H378	K358-F369 CarbonylContact C-O 3.56Å; K358-F369 VanDerWaalsContact C-O 3.29Å; K358-F369 VanDerWaalsContact CA-O 3.31Å; K358-F369 WeakPolarHBondContact CA-O 3.48Å; Y360-F369 WeakPolarHBondContact CD2-O 3.43Å; Y360-F369 PolarHBondContact N-O 3.41Å; Y360-F369 VanDerWaalsContact N-O 3.12Å; Y360-F369 PolarHBondContact O-N 3.35Å; C362-F369 HydrophobicContact CB-CE2 4.44Å; K367-F369 HydrophobicContact CB-CE2 4.01Å; K367-F369 HydrophobicContact CB-CZ 4.11Å; K367-F369 WeakPolarHBondContact O-CE2 3.29Å; F369-L375 HydrophobicContact CB-CB 4.39Å; F369-L375 HydrophobicContact CD2-CB 3.85Å; F369-L375 HydrophobicContact CD2-CD1 3.76Å; F369-L375 HydrophobicContact CD2-CG 4.4Å; F369-L375 HydrophobicContact CE2-CD1 3.86Å; F369-L375 HydrophobicContact CG-CB 4.31Å; F369-H378 HydrophobicContact CE1-CB 4.11Å; F369-H378 HydrophobicContact CE2-CB 3.88Å; F369-H378 AromaticContact CE2-CD2 3.49Å; F369-H378 VanDerWaalsContact CE2-CD2 3.49Å; F369-H378 WeakPolarHBondContact CE2-CD2 3.46Å; F369-H378 AromaticContact CE2-CG 3.66Å; F369-H378 HydrophobicContact CZ-CB 3.49Å; F369-H378 VanDerWaalsContact CZ-CB 3.49Å; F369-H378 AromaticContact CZ-CD2 3.55Å; F369-H378 AromaticContact CZ-CG 3.26Å; F369-H378 AromaticContact CZ-ND1 3.72Å
370	N	88.7	Confident	91.1	Very high	47 Å²	47	66.7 Å²	66.7	25%	0.251	35%	0.353	S	S	.	.	S	Bend	trans	-84.6	-13.3	177	58.9	-4.4	0	0	0	113.3	R352	R352-N370 HydrophobicContact CB-CB 4.23Å; R352-N370 PolarHBondContact NH1-O 2.95Å
371	V	90.1	Very high	90.9	Very high	23 Å²	23	67.9 Å²	67.9	14%	0.139	36%	0.364	C	S	.	.	S	Bend	trans	-127.9	140	179.4	-165.4	0	0	0	0	110.6	Q349 S373 T374 L375	Q349-V371 HydrophobicContact CG-CG2 4.11Å; V371-S373 VanDerWaalsContact CG1-OG 3.31Å; V371-S373 WeakPolarHBondContact CG1-OG 3.35Å; V371-T374 HydrophobicContact CB-CG2 4.18Å; V371-T374 PolarHBondContact O-N 3.24Å; V371-T374 PolarHBondContact O-OG1 3.5Å; V371-L375 PolarHBondContact O-N 3.35Å
372	S	90.9	Very high	90.8	Very high	58 Å²	58	65 Å²	65	41%	0.406	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-39	178.3	55.6	0	0	0	0	112.7	Y360 T374 L375 T376	Y360-S372 VanDerWaalsContact CD2-N 3.31Å; Y360-S372 VanDerWaalsContact CE2-N 3.3Å; S372-T374 VanDerWaalsContact C-N 3.27Å; S372-T374 PolarHBondContact O-N 2.86Å; S372-L375 WeakPolarHBondContact O-CB 3.4Å; S372-L375 PolarHBondContact O-N 3.21Å; S372-L375 VanDerWaalsContact O-N 3.16Å; S372-T376 PolarHBondContact O-N 3.44Å; S372-T376 PolarHBondContact O-OG1 2.83Å
373	S	89.2	Confident	90.6	Very high	74 Å²	74	68.9 Å²	68.9	52%	0.517	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-31.8	-179.7	60.5	0	0	0	0	113	V371 T376 Q377	V371-S373 VanDerWaalsContact CG1-OG 3.31Å; V371-S373 WeakPolarHBondContact CG1-OG 3.35Å; S373-T376 PolarHBondContact O-N 3.47Å; S373-Q377 WeakPolarHBondContact O-CB 3.39Å; S373-Q377 PolarHBondContact O-N 3.35Å
374	T	90.2	Very high	90.4	Very high	45 Å²	45	63.3 Å²	63.3	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-73.2	-36.4	175.3	55.4	0	0	0	0	111.2	V371 S372 Q377 H378	V371-T374 HydrophobicContact CB-CG2 4.18Å; V371-T374 PolarHBondContact O-N 3.24Å; V371-T374 PolarHBondContact O-OG1 3.5Å; S372-T374 VanDerWaalsContact C-N 3.27Å; S372-T374 PolarHBondContact O-N 2.86Å; T374-Q377 PolarHBondContact O-N 3.28Å; T374-H378 VanDerWaalsContact O-CB 3.25Å; T374-H378 WeakPolarHBondContact O-CB 3.48Å; T374-H378 PolarHBondContact O-N 3.43Å
375	L	92.5	Very high	90.5	Very high	19 Å²	19	62.8 Å²	62.8	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-47.4	169	173.4	64	0	0	0	111.4	K361 C362 F369 V371 S372 Q377 H378 K379	K361-L375 WeakPolarHBondContact O-CD2 3.44Å; C362-L375 HydrophobicContact CB-CD1 3.6Å; F369-L375 HydrophobicContact CB-CB 4.39Å; F369-L375 HydrophobicContact CD2-CB 3.85Å; F369-L375 HydrophobicContact CD2-CD1 3.76Å; F369-L375 HydrophobicContact CD2-CG 4.4Å; F369-L375 HydrophobicContact CE2-CD1 3.86Å; F369-L375 HydrophobicContact CG-CB 4.31Å; V371-L375 PolarHBondContact O-N 3.35Å; S372-L375 WeakPolarHBondContact O-CB 3.4Å; S372-L375 PolarHBondContact O-N 3.21Å; S372-L375 VanDerWaalsContact O-N 3.16Å; L375-Q377 VanDerWaalsContact C-N 3.3Å; L375-Q377 PolarHBondContact O-N 3.05Å; L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-N 3.15Å; L375-H378 VanDerWaalsContact O-N 3.11Å; L375-K379 HydrophobicContact CD1-CG 4.31Å; L375-K379 WeakPolarHBondContact O-CG 3.34Å; L375-K379 PolarHBondContact O-N 3.02Å
376	T	90.7	Very high	90.5	Very high	84 Å²	84	66 Å²	66	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-42.3	178.1	-56.3	0	0	0	0	111.7	S372 S373	S372-T376 PolarHBondContact O-N 3.44Å; S372-T376 PolarHBondContact O-OG1 2.83Å; S373-T376 PolarHBondContact O-N 3.47Å
377	Q	89.9	Confident	90.5	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-40.2	174.5	177.7	177.3	77	0	0	112	S373 T374 L375 R380 T399	S373-Q377 WeakPolarHBondContact O-CB 3.39Å; S373-Q377 PolarHBondContact O-N 3.35Å; T374-Q377 PolarHBondContact O-N 3.28Å; L375-Q377 VanDerWaalsContact C-N 3.3Å; L375-Q377 PolarHBondContact O-N 3.05Å; Q377-R380 WeakPolarHBondContact O-CB 3.13Å; Q377-R380 PolarHBondContact O-N 3.37Å; Q377-T399 HydrophobicContact CG-CG2 4.05Å
378	H	91.9	Very high	90.6	Very high	18 Å²	18	64.2 Å²	64.2	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-40.5	177.8	170.4	68.9	0	0	0	112.3	C365 F369 T374 L375 R380 I381 H382	C365-H378 PolarHBondContact SG-NE2 2.88Å; F369-H378 HydrophobicContact CE1-CB 4.11Å; F369-H378 HydrophobicContact CE2-CB 3.88Å; F369-H378 AromaticContact CE2-CD2 3.49Å; F369-H378 VanDerWaalsContact CE2-CD2 3.49Å; F369-H378 WeakPolarHBondContact CE2-CD2 3.46Å; F369-H378 AromaticContact CE2-CG 3.66Å; F369-H378 HydrophobicContact CZ-CB 3.49Å; F369-H378 VanDerWaalsContact CZ-CB 3.49Å; F369-H378 AromaticContact CZ-CD2 3.55Å; F369-H378 AromaticContact CZ-CG 3.26Å; F369-H378 AromaticContact CZ-ND1 3.72Å; T374-H378 VanDerWaalsContact O-CB 3.25Å; T374-H378 WeakPolarHBondContact O-CB 3.48Å; T374-H378 PolarHBondContact O-N 3.43Å; L375-H378 WeakPolarHBondContact O-CB 3.45Å; L375-H378 PolarHBondContact O-N 3.15Å; L375-H378 VanDerWaalsContact O-N 3.11Å; H378-R380 PolarHBondContact O-N 3.2Å; H378-R380 VanDerWaalsContact O-N 3.1Å; H378-I381 VanDerWaalsContact O-CB 3.24Å; H378-I381 WeakPolarHBondContact O-CB 3.44Å; H378-I381 WeakPolarHBondContact O-CG1 3.03Å; H378-I381 PolarHBondContact O-N 3.27Å; H378-H382 AromaticContact CD2-NE2 3.9Å; H378-H382 AromaticContact CE1-NE2 3.7Å; H378-H382 AromaticContact NE2-CE1 3.88Å; H378-H382 AromaticContact NE2-NE2 3.13Å; H378-H382 PolarHBondContact NE2-NE2 3.42Å; H378-H382 VanDerWaalsContact NE2-NE2 3.13Å
379	K	90.5	Very high	90.7	Very high	90 Å²	90	69.1 Å²	69.1	39%	0.391	37%	0.365	S	S	.	.	H	α-helix	trans	-56	-28.1	177	-73.9	-171.5	174.8	-161.1	0	113.4	L375 I381 H382 T383	L375-K379 HydrophobicContact CD1-CG 4.31Å; L375-K379 WeakPolarHBondContact O-CG 3.34Å; L375-K379 PolarHBondContact O-N 3.02Å; K379-I381 PolarHBondContact O-N 2.98Å; K379-H382 PolarHBondContact O-N 3.45Å; K379-H382 VanDerWaalsContact O-N 3.11Å; K379-T383 PolarHBondContact O-N 3.18Å
380	R	91.6	Very high	90.9	Very high	59 Å²	59	67.2 Å²	67.2	22%	0.223	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-18.9	175.2	-60.1	178.8	179.6	-174.5	-7	114	Q377 H378 T383 G384 E385 N398	Q377-R380 WeakPolarHBondContact O-CB 3.13Å; Q377-R380 PolarHBondContact O-N 3.37Å; H378-R380 PolarHBondContact O-N 3.2Å; H378-R380 VanDerWaalsContact O-N 3.1Å; R380-T383 WeakPolarHBondContact CA-OG1 2.84Å; R380-G384 CarbonylContact O-C 3.6Å; R380-G384 WeakPolarHBondContact O-CA 3.44Å; R380-G384 PolarHBondContact O-N 3.19Å; R380-G384 VanDerWaalsContact O-N 3.09Å; R380-E385 HydrophobicContact CB-CB 4.31Å; R380-E385 HydrophobicContact CG-CB 4.34Å; R380-E385 PolarHBondContact O-N 3.05Å; R380-N398 PolarHBondContact NH1-O 3.07Å
381	I	89.9	Confident	91.1	Very high	102 Å²	102	72.8 Å²	72.8	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-69.9	-39.5	175.4	-60.5	175.2	0	0	0	109.8	H378 K379	H378-I381 VanDerWaalsContact O-CB 3.24Å; H378-I381 WeakPolarHBondContact O-CB 3.44Å; H378-I381 WeakPolarHBondContact O-CG1 3.03Å; H378-I381 PolarHBondContact O-N 3.27Å; K379-I381 PolarHBondContact O-N 2.98Å
382	H	89.8	Confident	91.1	Very high	73 Å²	73	77.4 Å²	77.4	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-77.3	-40.5	-179.1	-55.4	-51.3	0	0	0	112.1	C362 E364 C365 H378 K379 G384	C362-H382 PolarHBondContact SG-NE2 2.97Å; C362-H382 VanDerWaalsContact SG-NE2 3.38Å; E364-H382 WeakPolarHBondContact OE2-CB 3.44Å; E364-H382 IonicContact OE2-CD2 3.09Å; E364-H382 PolarHBondContact OE2-CD2 3.49Å; E364-H382 IonicContact OE2-CG 3.14Å; E364-H382 IonicContact OE2-NE2 3.14Å; C365-H382 PolarHBondContact SG-NE2 3.45Å; C365-H382 VanDerWaalsContact SG-NE2 3.44Å; H378-H382 AromaticContact CD2-NE2 3.9Å; H378-H382 AromaticContact CE1-NE2 3.7Å; H378-H382 AromaticContact NE2-CE1 3.88Å; H378-H382 AromaticContact NE2-NE2 3.13Å; H378-H382 PolarHBondContact NE2-NE2 3.42Å; H378-H382 VanDerWaalsContact NE2-NE2 3.13Å; K379-H382 PolarHBondContact O-N 3.45Å; K379-H382 VanDerWaalsContact O-N 3.11Å; H382-G384 PolarHBondContact O-N 3.47Å
383	T	88.8	Confident	91.2	Very high	81 Å²	81	77.2 Å²	77.2	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-76.3	-12.3	176.6	63.8	0	0	0	0	113.4	K379 R380 E385	K379-T383 PolarHBondContact O-N 3.18Å; R380-T383 WeakPolarHBondContact CA-OG1 2.84Å; T383-E385 PolarHBondContact O-N 3.34Å; T383-E385 WeakPolarHBondContact OG1-CB 3.26Å; T383-E385 WeakPolarHBondContact OG1-CG 3.24Å; T383-E385 PolarHBondContact OG1-N 3.22Å
384	G	88.4	Confident	91.3	Very high	45 Å²	45	76.4 Å²	76.4	46%	0.464	40%	0.402	S	S	.	.			trans	68.5	5.7	-173.4	0	0	0	0	0	114.4	R380 H382 K386	R380-G384 CarbonylContact O-C 3.6Å; R380-G384 WeakPolarHBondContact O-CA 3.44Å; R380-G384 PolarHBondContact O-N 3.19Å; R380-G384 VanDerWaalsContact O-N 3.09Å; H382-G384 PolarHBondContact O-N 3.47Å; G384-K386 PolarHBondContact O-N 2.87Å
385	E	91	Very high	91.4	Very high	109 Å²	109	80.5 Å²	80.5	51%	0.509	42%	0.416	S	S	.	.			trans	-60.4	121.4	-179.1	-79.1	-178	-173.8	0	0	111.6	R380 T383 P387	R380-E385 HydrophobicContact CB-CB 4.31Å; R380-E385 HydrophobicContact CG-CB 4.34Å; R380-E385 PolarHBondContact O-N 3.05Å; T383-E385 PolarHBondContact O-N 3.34Å; T383-E385 WeakPolarHBondContact OG1-CB 3.26Å; T383-E385 WeakPolarHBondContact OG1-CG 3.24Å; T383-E385 PolarHBondContact OG1-N 3.22Å; E385-P387 WeakPolarHBondContact O-CD 3.36Å
386	K	91.8	Very high	91.4	Very high	118 Å²	118	81 Å²	81	51%	0.513	42%	0.423	S	S	.	.			trans	-124.2	79.5	175.7	-69.7	168.4	175.9	-176.8	0	110.1	G384 Y388 A396 F397	G384-K386 PolarHBondContact O-N 2.87Å; K386-Y388 PolarHBondContact O-N 3.05Å; K386-Y388 VanDerWaalsContact O-N 3.16Å; K386-A396 HydrophobicContact CB-CB 3.51Å; K386-A396 HydrophobicContact CD-CB 4.09Å; K386-A396 WeakPolarHBondContact CD-O 3.48Å; K386-A396 HydrophobicContact CG-CB 4.4Å; K386-F397 CarbonylContact C-O 3.51Å; K386-F397 VanDerWaalsContact C-O 3.32Å; K386-F397 WeakPolarHBondContact CA-O 3.46Å
387	P	91.3	Very high	91.4	Very high	70 Å²	70	79 Å²	79	46%	0.455	41%	0.407	S	S	.	.			trans	-66.6	-17.9	-173	-22.4	35	0	0	0	114.2	E385	E385-P387 WeakPolarHBondContact O-CD 3.36Å
388	Y	93.6	Very high	91.4	Very high	78 Å²	78	77 Å²	77	31%	0.306	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	94.2	-171.8	-56.3	-74.7	0	0	0	110.1	K386 A396 F397 N398 S400	K386-Y388 PolarHBondContact O-N 3.05Å; K386-Y388 VanDerWaalsContact O-N 3.16Å; Y388-A396 CarbonylContact O-C 3.31Å; Y388-A396 WeakPolarHBondContact O-CA 3.22Å; Y388-F397 PolarHBondContact N-O 3.12Å; Y388-F397 VanDerWaalsContact N-O 3.16Å; Y388-F397 PolarHBondContact O-N 3.14Å; Y388-N398 WeakPolarHBondContact CE2-O 3.44Å; Y388-S400 VanDerWaalsContact CE2-N 3.34Å
389	K	93	Very high	91.2	Very high	132 Å²	132	76.5 Å²	76.5	57%	0.574	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.4	178.7	-63.1	-175	-179.7	-179.4	0	111.4	A396 L403	K389-A396 HydrophobicContact CG-CB 3.9Å; K389-L403 WeakPolarHBondContact O-CD2 3.47Å
390	C	94.4	Very high	91.3	Very high	1 Å²	1	75.1 Å²	75.1	1%	0.007	40%	0.399	C	S	.	.			trans	-90.2	116.1	170.7	-172.7	0	0	0	0	108.6	E392 C393 G394 K395 F397 L403 H406 H410	C390-E392 PolarHBondContact O-N 3.32Å; C390-C393 VanDerWaalsContact SG-SG 3.65Å; C390-G394 WeakPolarHBondContact O-CA 3.34Å; C390-G394 PolarHBondContact O-N 2.91Å; C390-K395 VanDerWaalsContact CB-O 3.28Å; C390-K395 WeakPolarHBondContact CB-O 3.49Å; C390-K395 PolarHBondContact N-O 2.91Å; C390-F397 HydrophobicContact CB-CE2 4.49Å; C390-L403 HydrophobicContact CB-CD1 3.66Å; C390-H406 VanDerWaalsContact SG-CD2 3.56Å; C390-H410 PolarHBondContact SG-NE2 2.86Å; C390-H410 VanDerWaalsContact SG-NE2 3.39Å
391	E	92.9	Very high	91.2	Very high	165 Å²	165	75.4 Å²	75.4	77%	0.771	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-29.1	-178.9	-56.8	-52.3	137.6	0	0	112.7
392	E	91	Very high	91.2	Very high	120 Å²	120	75 Å²	75	56%	0.561	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-27	-175.7	-67.9	167.9	-138.7	0	0	113.7	C390 H410	C390-E392 PolarHBondContact O-N 3.32Å; E392-H410 WeakPolarHBondContact OE2-CB 3.49Å; E392-H410 IonicContact OE2-CD2 3.08Å; E392-H410 PolarHBondContact OE2-CD2 3.19Å; E392-H410 IonicContact OE2-CG 3.71Å; E392-H410 IonicContact OE2-NE2 3.55Å
393	C	92.8	Very high	91.4	Very high	54 Å²	54	72.6 Å²	72.6	37%	0.365	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	6.7	-175.9	72.3	0	0	0	0	114.6	C390 K395 H406 H410	C390-C393 VanDerWaalsContact SG-SG 3.65Å; C393-K395 PolarHBondContact O-N 3.11Å; C393-H406 PolarHBondContact SG-NE2 2.56Å; C393-H410 PolarHBondContact SG-NE2 3.08Å; C393-H410 VanDerWaalsContact SG-NE2 3.44Å
394	G	90.6	Very high	91.5	Very high	56 Å²	56	72.7 Å²	72.7	58%	0.577	40%	0.396	S	S	*	.			trans	68.4	-7.1	-178.7	0	0	0	0	0	115.7	C390 A396	C390-G394 WeakPolarHBondContact O-CA 3.34Å; C390-G394 PolarHBondContact O-N 2.91Å; G394-A396 PolarHBondContact O-N 2.99Å
395	K	92.7	Very high	91.6	Very high	132 Å²	132	72.5 Å²	72.5	57%	0.574	39%	0.386	S	S	*	.			trans	-64.5	130.2	-177.1	-73.8	-175.9	178.1	177.4	0	111.4	C390 C393 F397	C390-K395 VanDerWaalsContact CB-O 3.28Å; C390-K395 WeakPolarHBondContact CB-O 3.49Å; C390-K395 PolarHBondContact N-O 2.91Å; C393-K395 PolarHBondContact O-N 3.11Å; K395-F397 HydrophobicContact CB-CE2 4.05Å; K395-F397 HydrophobicContact CB-CZ 4.17Å
396	A	92.9	Very high	91.7	Very high	29 Å²	29	68.2 Å²	68.2	24%	0.24	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.1	-178.3	0	0	0	0	0	112.3	K386 Y388 K389 G394	K386-A396 HydrophobicContact CB-CB 3.51Å; K386-A396 HydrophobicContact CD-CB 4.09Å; K386-A396 WeakPolarHBondContact CD-O 3.48Å; K386-A396 HydrophobicContact CG-CB 4.4Å; Y388-A396 CarbonylContact O-C 3.31Å; Y388-A396 WeakPolarHBondContact O-CA 3.22Å; K389-A396 HydrophobicContact CG-CB 3.9Å; G394-A396 PolarHBondContact O-N 2.99Å
397	F	91	Very high	91.7	Very high	43 Å²	43	66.8 Å²	66.8	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.7	-178	-57.7	-88.5	0	0	0	111.3	K386 Y388 C390 K395 H402 L403 H406	K386-F397 CarbonylContact C-O 3.51Å; K386-F397 VanDerWaalsContact C-O 3.32Å; K386-F397 WeakPolarHBondContact CA-O 3.46Å; Y388-F397 PolarHBondContact N-O 3.12Å; Y388-F397 VanDerWaalsContact N-O 3.16Å; Y388-F397 PolarHBondContact O-N 3.14Å; C390-F397 HydrophobicContact CB-CE2 4.49Å; K395-F397 HydrophobicContact CB-CE2 4.05Å; K395-F397 HydrophobicContact CB-CZ 4.17Å; F397-H402 HydrophobicContact CB-CB 4.13Å; F397-H402 HydrophobicContact CD1-CB 3.81Å; F397-H402 HydrophobicContact CG-CB 4.16Å; F397-L403 HydrophobicContact CB-CB 4.47Å; F397-L403 HydrophobicContact CD2-CB 3.95Å; F397-L403 HydrophobicContact CD2-CD1 3.86Å; F397-L403 HydrophobicContact CE2-CD1 4.03Å; F397-L403 HydrophobicContact CG-CB 4.43Å; F397-H406 HydrophobicContact CE1-CB 4.12Å; F397-H406 HydrophobicContact CE2-CB 3.79Å; F397-H406 AromaticContact CE2-CD2 3.47Å; F397-H406 VanDerWaalsContact CE2-CD2 3.47Å; F397-H406 WeakPolarHBondContact CE2-CD2 3.3Å; F397-H406 AromaticContact CE2-CG 3.57Å; F397-H406 HydrophobicContact CZ-CB 3.46Å; F397-H406 VanDerWaalsContact CZ-CB 3.46Å; F397-H406 AromaticContact CZ-CD2 3.61Å; F397-H406 AromaticContact CZ-CG 3.25Å; F397-H406 AromaticContact CZ-ND1 3.66Å
398	N	88.9	Confident	91.8	Very high	43 Å²	43	65.8 Å²	65.8	23%	0.23	35%	0.347	C	S	.	.	S	Bend	trans	-81.1	-17.3	177	59.3	2.4	0	0	0	113.2	R380 Y388 H402	R380-N398 PolarHBondContact NH1-O 3.07Å; Y388-N398 WeakPolarHBondContact CE2-O 3.44Å; N398-H402 PolarHBondContact OD1-ND1 2.94Å
399	T	89.1	Confident	91.6	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.043	36%	0.358	C	S	.	.	S	Bend	trans	-129	147.6	178.5	78	0	0	0	0	111.8	Q377 S401 H402 L403	Q377-T399 HydrophobicContact CG-CG2 4.05Å; T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 PolarHBondContact OG1-OG 3.14Å; T399-H402 PolarHBondContact O-N 3.23Å; T399-H402 VanDerWaalsContact OG1-CB 3.31Å; T399-H402 WeakPolarHBondContact OG1-CB 3.49Å; T399-H402 PolarHBondContact OG1-N 2.99Å; T399-H402 VanDerWaalsContact OG1-N 3.17Å; T399-H402 PolarHBondContact OG1-ND1 2.91Å; T399-L403 PolarHBondContact O-N 3.41Å
400	S	91.4	Very high	91.5	Very high	60 Å²	60	64.3 Å²	64.3	42%	0.42	35%	0.347	S	S	.	.	H	α-helix	trans	-70.3	-30.9	176.9	55.2	0	0	0	0	112.6	Y388 L403 T404	Y388-S400 VanDerWaalsContact CE2-N 3.34Å; S400-L403 PolarHBondContact O-N 2.99Å; S400-T404 PolarHBondContact O-N 2.67Å; S400-T404 PolarHBondContact O-OG1 3.49Å
401	S	89.8	Confident	91.3	Very high	66 Å²	66	68 Å²	68	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-42.4	175.9	52.4	0	0	0	0	111.2	T399 T404 T405	T399-S401 VanDerWaalsContact C-N 3.34Å; T399-S401 PolarHBondContact OG1-OG 3.14Å; S401-T404 PolarHBondContact O-N 3.38Å; S401-T405 WeakPolarHBondContact O-CG2 3.4Å; S401-T405 PolarHBondContact O-N 3.42Å; S401-T405 PolarHBondContact O-OG1 2.97Å
402	H	90.4	Very high	91.1	Very high	94 Å²	94	62.4 Å²	62.4	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-42.4	175.7	-67.2	158.4	0	0	0	111.9	F397 N398 T399 T404 T405 H406	F397-H402 HydrophobicContact CB-CB 4.13Å; F397-H402 HydrophobicContact CD1-CB 3.81Å; F397-H402 HydrophobicContact CG-CB 4.16Å; N398-H402 PolarHBondContact OD1-ND1 2.94Å; T399-H402 PolarHBondContact O-N 3.23Å; T399-H402 VanDerWaalsContact OG1-CB 3.31Å; T399-H402 WeakPolarHBondContact OG1-CB 3.49Å; T399-H402 PolarHBondContact OG1-N 2.99Å; T399-H402 VanDerWaalsContact OG1-N 3.17Å; T399-H402 PolarHBondContact OG1-ND1 2.91Å; H402-T404 VanDerWaalsContact C-N 3.34Å; H402-T404 PolarHBondContact O-N 3.43Å; H402-T405 WeakPolarHBondContact CA-OG1 3.23Å; H402-T405 PolarHBondContact O-N 3.3Å; H402-T405 PolarHBondContact O-OG1 3.26Å; H402-H406 WeakPolarHBondContact O-CB 3.37Å; H402-H406 PolarHBondContact O-N 3.47Å
403	L	93.2	Very high	91.1	Very high	22 Å²	22	61.9 Å²	61.9	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-45	173.2	175.6	62.2	0	0	0	111.3	K389 C390 F397 T399 S400 T405 H406 K407	K389-L403 WeakPolarHBondContact O-CD2 3.47Å; C390-L403 HydrophobicContact CB-CD1 3.66Å; F397-L403 HydrophobicContact CB-CB 4.47Å; F397-L403 HydrophobicContact CD2-CB 3.95Å; F397-L403 HydrophobicContact CD2-CD1 3.86Å; F397-L403 HydrophobicContact CE2-CD1 4.03Å; F397-L403 HydrophobicContact CG-CB 4.43Å; T399-L403 PolarHBondContact O-N 3.41Å; S400-L403 PolarHBondContact O-N 2.99Å; L403-T405 PolarHBondContact O-N 3.37Å; L403-H406 WeakPolarHBondContact O-CB 3.49Å; L403-H406 PolarHBondContact O-N 3.04Å; L403-H406 VanDerWaalsContact O-N 3.14Å; L403-K407 HydrophobicContact CD1-CG 4.34Å; L403-K407 WeakPolarHBondContact O-CG 3.47Å; L403-K407 PolarHBondContact O-N 3.44Å
404	T	91.3	Very high	91.1	Very high	82 Å²	82	65 Å²	65	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-44.7	179.5	-54.5	0	0	0	0	111.5	S400 S401 H402 H406 K407	S400-T404 PolarHBondContact O-N 2.67Å; S400-T404 PolarHBondContact O-OG1 3.49Å; S401-T404 PolarHBondContact O-N 3.38Å; H402-T404 VanDerWaalsContact C-N 3.34Å; H402-T404 PolarHBondContact O-N 3.43Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-N 3.46Å; T404-K407 PolarHBondContact O-N 2.95Å
405	T	91.3	Very high	91.1	Very high	42 Å²	42	65.6 Å²	65.6	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-66.9	-31.8	175.3	52.5	0	0	0	0	112.5	S401 H402 L403 R408	S401-T405 WeakPolarHBondContact O-CG2 3.4Å; S401-T405 PolarHBondContact O-N 3.42Å; S401-T405 PolarHBondContact O-OG1 2.97Å; H402-T405 WeakPolarHBondContact CA-OG1 3.23Å; H402-T405 PolarHBondContact O-N 3.3Å; H402-T405 PolarHBondContact O-OG1 3.26Å; L403-T405 PolarHBondContact O-N 3.37Å; T405-R408 WeakPolarHBondContact O-CB 3.29Å
406	H	92.7	Very high	91.1	Very high	19 Å²	19	62.9 Å²	62.9	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-41.3	177.3	170.7	69.7	0	0	0	111.9	C390 C393 F397 H402 L403 T404 R408 I409 H410	C390-H406 VanDerWaalsContact SG-CD2 3.56Å; C393-H406 PolarHBondContact SG-NE2 2.56Å; F397-H406 HydrophobicContact CE1-CB 4.12Å; F397-H406 HydrophobicContact CE2-CB 3.79Å; F397-H406 AromaticContact CE2-CD2 3.47Å; F397-H406 VanDerWaalsContact CE2-CD2 3.47Å; F397-H406 WeakPolarHBondContact CE2-CD2 3.3Å; F397-H406 AromaticContact CE2-CG 3.57Å; F397-H406 HydrophobicContact CZ-CB 3.46Å; F397-H406 VanDerWaalsContact CZ-CB 3.46Å; F397-H406 AromaticContact CZ-CD2 3.61Å; F397-H406 AromaticContact CZ-CG 3.25Å; F397-H406 AromaticContact CZ-ND1 3.66Å; H402-H406 WeakPolarHBondContact O-CB 3.37Å; H402-H406 PolarHBondContact O-N 3.47Å; L403-H406 WeakPolarHBondContact O-CB 3.49Å; L403-H406 PolarHBondContact O-N 3.04Å; L403-H406 VanDerWaalsContact O-N 3.14Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-N 3.46Å; H406-R408 PolarHBondContact O-N 3.09Å; H406-R408 VanDerWaalsContact O-N 3.1Å; H406-I409 VanDerWaalsContact O-CB 3.24Å; H406-I409 WeakPolarHBondContact O-CB 3.44Å; H406-I409 WeakPolarHBondContact O-CG1 3.42Å; H406-I409 PolarHBondContact O-N 3.37Å; H406-H410 AromaticContact NE2-CE1 3.98Å; H406-H410 AromaticContact NE2-NE2 3.38Å; H406-H410 PolarHBondContact NE2-NE2 3.18Å
407	K	91.6	Very high	91.1	Very high	88 Å²	88	68 Å²	68	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-28.9	176.7	-75.3	-170.9	173.3	-160.7	0	113.2	L403 T404 I409 H410 T411	L403-K407 HydrophobicContact CD1-CG 4.34Å; L403-K407 WeakPolarHBondContact O-CG 3.47Å; L403-K407 PolarHBondContact O-N 3.44Å; T404-K407 PolarHBondContact O-N 2.95Å; K407-I409 PolarHBondContact O-N 2.99Å; K407-H410 PolarHBondContact O-N 3.28Å; K407-T411 PolarHBondContact O-N 3.42Å; K407-T411 VanDerWaalsContact O-N 3.14Å
408	R	92.4	Very high	91.3	Very high	49 Å²	49	66 Å²	66	19%	0.185	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-20.1	174.7	-61.6	178.6	-178.8	-171.8	-7	114.1	T405 H406 H410 T411 G412 E413 Y416 N426	T405-R408 WeakPolarHBondContact O-CB 3.29Å; H406-R408 PolarHBondContact O-N 3.09Å; H406-R408 VanDerWaalsContact O-N 3.1Å; R408-H410 VanDerWaalsContact C-N 3.32Å; R408-T411 WeakPolarHBondContact CA-OG1 3.46Å; R408-G412 CarbonylContact O-C 3.55Å; R408-G412 WeakPolarHBondContact O-CA 3.43Å; R408-G412 PolarHBondContact O-N 3.14Å; R408-E413 HydrophobicContact CB-CB 4.42Å; R408-E413 HydrophobicContact CG-CB 4.33Å; R408-E413 PolarHBondContact O-N 3.38Å; R408-Y416 VanDerWaalsContact NH1-CE2 3.28Å; R408-N426 HydrophobicContact CB-CB 4.3Å; R408-N426 PolarHBondContact NH1-O 3.47Å
409	I	90.7	Very high	91.4	Very high	106 Å²	106	72 Å²	72	54%	0.544	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-38.3	174.7	-60.4	174.8	0	0	0	109.8	H406 K407	H406-I409 VanDerWaalsContact O-CB 3.24Å; H406-I409 WeakPolarHBondContact O-CB 3.44Å; H406-I409 WeakPolarHBondContact O-CG1 3.42Å; H406-I409 PolarHBondContact O-N 3.37Å; K407-I409 PolarHBondContact O-N 2.99Å
410	H	90.4	Very high	91.4	Very high	72 Å²	72	77.3 Å²	77.3	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-79.4	-41.6	-179	-55.1	-46.4	0	0	0	112.4	C390 E392 C393 H406 K407 R408 G412	C390-H410 PolarHBondContact SG-NE2 2.86Å; C390-H410 VanDerWaalsContact SG-NE2 3.39Å; E392-H410 WeakPolarHBondContact OE2-CB 3.49Å; E392-H410 IonicContact OE2-CD2 3.08Å; E392-H410 PolarHBondContact OE2-CD2 3.19Å; E392-H410 IonicContact OE2-CG 3.71Å; E392-H410 IonicContact OE2-NE2 3.55Å; C393-H410 PolarHBondContact SG-NE2 3.08Å; C393-H410 VanDerWaalsContact SG-NE2 3.44Å; H406-H410 AromaticContact NE2-CE1 3.98Å; H406-H410 AromaticContact NE2-NE2 3.38Å; H406-H410 PolarHBondContact NE2-NE2 3.18Å; K407-H410 PolarHBondContact O-N 3.28Å; R408-H410 VanDerWaalsContact C-N 3.32Å; H410-G412 PolarHBondContact O-N 2.86Å
411	T	89.4	Confident	91.4	Very high	79 Å²	79	77.1 Å²	77.1	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-76	-13.6	177.2	63.8	0	0	0	0	113.3	K407 R408 E413	K407-T411 PolarHBondContact O-N 3.42Å; K407-T411 VanDerWaalsContact O-N 3.14Å; R408-T411 WeakPolarHBondContact CA-OG1 3.46Å; T411-E413 PolarHBondContact O-N 2.92Å; T411-E413 WeakPolarHBondContact OG1-CB 3.49Å; T411-E413 WeakPolarHBondContact OG1-CG 3.44Å; T411-E413 PolarHBondContact OG1-N 3.07Å
412	G	89	Confident	91.5	Very high	48 Å²	48	76.6 Å²	76.6	50%	0.495	40%	0.403	S	S	.	.			trans	67.9	6.6	-173	0	0	0	0	0	114.2	R408 H410 K414	R408-G412 CarbonylContact O-C 3.55Å; R408-G412 WeakPolarHBondContact O-CA 3.43Å; R408-G412 PolarHBondContact O-N 3.14Å; H410-G412 PolarHBondContact O-N 2.86Å; G412-K414 PolarHBondContact O-N 3.41Å
413	E	91.8	Very high	91.5	Very high	108 Å²	108	78.2 Å²	78.2	51%	0.505	41%	0.409	S	S	.	.			trans	-59.9	124.3	-178.9	-80.1	-177.6	-174.4	0	0	111.7	R408 T411 P415	R408-E413 HydrophobicContact CB-CB 4.42Å; R408-E413 HydrophobicContact CG-CB 4.33Å; R408-E413 PolarHBondContact O-N 3.38Å; T411-E413 PolarHBondContact O-N 2.92Å; T411-E413 WeakPolarHBondContact OG1-CB 3.49Å; T411-E413 WeakPolarHBondContact OG1-CG 3.44Å; T411-E413 PolarHBondContact OG1-N 3.07Å; E413-P415 WeakPolarHBondContact O-CD 3.39Å
414	K	92	Very high	91.5	Very high	120 Å²	120	78.7 Å²	78.7	52%	0.522	42%	0.417	S	S	.	.			trans	-124.7	78.1	176	-70.2	169.6	173	-176.6	0	110.2	G412 Y416 A424 F425	G412-K414 PolarHBondContact O-N 3.41Å; K414-Y416 PolarHBondContact O-N 3.38Å; K414-A424 HydrophobicContact CB-CB 3.55Å; K414-A424 HydrophobicContact CD-CB 4.14Å; K414-A424 WeakPolarHBondContact CD-O 3.3Å; K414-A424 HydrophobicContact CG-CB 4.44Å; K414-F425 CarbonylContact C-O 3.59Å; K414-F425 VanDerWaalsContact C-O 3.31Å; K414-F425 VanDerWaalsContact CA-O 3.3Å; K414-F425 WeakPolarHBondContact CA-O 3.46Å
415	P	91.3	Very high	91.5	Very high	68 Å²	68	76.7 Å²	76.7	44%	0.442	40%	0.401	S	S	.	.			trans	-67.3	-18.3	-172.5	-21.8	34.9	0	0	0	114	E413	E413-P415 WeakPolarHBondContact O-CD 3.39Å
416	Y	93.3	Very high	91.5	Very high	76 Å²	76	76.2 Å²	76.2	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	97.7	-171.7	-54.5	-69.8	0	0	0	110.1	R408 K414 A424 F425 F428	R408-Y416 VanDerWaalsContact NH1-CE2 3.28Å; K414-Y416 PolarHBondContact O-N 3.38Å; Y416-A424 CarbonylContact O-C 3.58Å; Y416-A424 WeakPolarHBondContact O-CA 3.29Å; Y416-F425 PolarHBondContact N-O 3.35Å; Y416-F425 PolarHBondContact O-N 2.84Å; Y416-F428 HydrophobicContact CD1-CB 4.09Å; Y416-F428 AromaticContact CD1-CD2 3.93Å; Y416-F428 HydrophobicContact CD1-CD2 3.93Å; Y416-F428 HydrophobicContact CD2-CB 4.37Å; Y416-F428 VanDerWaalsContact CD2-N 3.32Å; Y416-F428 HydrophobicContact CE1-CB 3.88Å; Y416-F428 HydrophobicContact CE1-CD2 4.15Å; Y416-F428 HydrophobicContact CE1-CG 4.47Å; Y416-F428 HydrophobicContact CE2-CB 4.14Å; Y416-F428 VanDerWaalsContact CE2-N 3.29Å; Y416-F428 HydrophobicContact CG-CB 4.32Å
417	K	92.7	Very high	91.3	Very high	135 Å²	135	78.7 Å²	78.7	59%	0.587	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.9	177.6	-64	-175.5	179.9	-179.6	0	111.2	K423 A424	K417-K423 CarbonylContact C-O 3.6Å; K417-A424 HydrophobicContact CG-CB 3.9Å
418	C	93.7	Very high	91.3	Very high	1 Å²	1	80.3 Å²	80.3	1%	0.007	42%	0.416	C	S	.	.			trans	-85.3	119	168	-178.5	0	0	0	0	108.5	E420 C421 G422 K423 L431	C418-E420 PolarHBondContact O-N 2.96Å; C418-C421 VanDerWaalsContact SG-SG 3.68Å; C418-G422 WeakPolarHBondContact O-CA 3.37Å; C418-G422 PolarHBondContact O-N 2.95Å; C418-K423 WeakPolarHBondContact CB-O 3.23Å; C418-K423 PolarHBondContact N-O 3.12Å; C418-L431 HydrophobicContact CB-CD1 3.68Å
419	E	91.4	Very high	91.1	Very high	170 Å²	170	81.1 Å²	81.1	79%	0.794	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.8	178.7	-58.1	-55.4	143.3	0	0	112.5
420	E	90.1	Very high	91.1	Very high	119 Å²	119	79.2 Å²	79.2	56%	0.556	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-30.7	-175.1	-67.1	168.9	-143.4	0	0	113.5	C418 H438	C418-E420 PolarHBondContact O-N 2.96Å; E420-H438 WeakPolarHBondContact OE2-CB 3.46Å; E420-H438 IonicContact OE2-CD2 2.9Å; E420-H438 PolarHBondContact OE2-CD2 3.29Å; E420-H438 VanDerWaalsContact OE2-CD2 3.3Å; E420-H438 IonicContact OE2-CG 4Å; E420-H438 IonicContact OE2-ND1 3.7Å
421	C	91.8	Very high	91.1	Very high	55 Å²	55	76.2 Å²	76.2	37%	0.372	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	7	-178.1	71.9	0	0	0	0	115.1	C418 K423 H434 H438	C418-C421 VanDerWaalsContact SG-SG 3.68Å; C421-K423 PolarHBondContact O-N 3.48Å; C421-H434 PolarHBondContact SG-NE2 3.45Å; C421-H438 PolarHBondContact SG-NE2 3.26Å; C421-H438 VanDerWaalsContact SG-NE2 3.35Å
422	G	90	Very high	91.1	Very high	55 Å²	55	75.6 Å²	75.6	57%	0.567	40%	0.4	S	S	*	.			trans	69.9	-4.9	179.6	0	0	0	0	0	115.5	C418 A424	C418-G422 WeakPolarHBondContact O-CA 3.37Å; C418-G422 PolarHBondContact O-N 2.95Å; G422-A424 PolarHBondContact O-N 3.44Å
423	K	92.2	Very high	91	Very high	129 Å²	129	75.8 Å²	75.8	56%	0.561	39%	0.391	S	S	*	.			trans	-65.2	130.9	-178.3	-75.3	-176.4	178.2	176.8	0	111.6	K417 C418 C421 F425	K417-K423 CarbonylContact C-O 3.6Å; C418-K423 WeakPolarHBondContact CB-O 3.23Å; C418-K423 PolarHBondContact N-O 3.12Å; C421-K423 PolarHBondContact O-N 3.48Å; K423-F425 HydrophobicContact CB-CE2 4Å; K423-F425 HydrophobicContact CB-CZ 4.12Å
424	A	92.9	Very high	90.9	Very high	32 Å²	32	71.5 Å²	71.5	26%	0.264	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.3	-178.6	0	0	0	0	0	112.2	K414 Y416 K417 G422	K414-A424 HydrophobicContact CB-CB 3.55Å; K414-A424 HydrophobicContact CD-CB 4.14Å; K414-A424 WeakPolarHBondContact CD-O 3.3Å; K414-A424 HydrophobicContact CG-CB 4.44Å; Y416-A424 CarbonylContact O-C 3.58Å; Y416-A424 WeakPolarHBondContact O-CA 3.29Å; K417-A424 HydrophobicContact CG-CB 3.9Å; G422-A424 PolarHBondContact O-N 3.44Å
425	F	91.5	Very high	90.7	Very high	39 Å²	39	70 Å²	70	17%	0.171	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.7	-177.8	-58.6	-86.8	0	0	0	111.3	K414 Y416 K423 Q430 L431 H434	K414-F425 CarbonylContact C-O 3.59Å; K414-F425 VanDerWaalsContact C-O 3.31Å; K414-F425 VanDerWaalsContact CA-O 3.3Å; K414-F425 WeakPolarHBondContact CA-O 3.46Å; Y416-F425 PolarHBondContact N-O 3.35Å; Y416-F425 PolarHBondContact O-N 2.84Å; K423-F425 HydrophobicContact CB-CE2 4Å; K423-F425 HydrophobicContact CB-CZ 4.12Å; F425-Q430 HydrophobicContact CB-CB 4Å; F425-Q430 HydrophobicContact CD1-CB 3.7Å; F425-Q430 HydrophobicContact CG-CB 4.03Å; F425-L431 HydrophobicContact CD2-CB 3.97Å; F425-L431 HydrophobicContact CD2-CD1 3.96Å; F425-L431 HydrophobicContact CE2-CD1 4.1Å; F425-L431 HydrophobicContact CG-CB 4.47Å; F425-H434 HydrophobicContact CE1-CB 4.17Å; F425-H434 HydrophobicContact CE2-CB 3.82Å; F425-H434 AromaticContact CE2-CD2 3.43Å; F425-H434 VanDerWaalsContact CE2-CD2 3.43Å; F425-H434 WeakPolarHBondContact CE2-CD2 3.36Å; F425-H434 AromaticContact CE2-CG 3.62Å; F425-H434 HydrophobicContact CZ-CB 3.5Å; F425-H434 VanDerWaalsContact CZ-CB 3.5Å; F425-H434 AromaticContact CZ-CD2 3.51Å; F425-H434 AromaticContact CZ-CG 3.26Å; F425-H434 AromaticContact CZ-ND1 3.69Å
426	N	89.7	Confident	90.6	Very high	32 Å²	32	67.6 Å²	67.6	17%	0.171	35%	0.348	C	S	.	.	S	Bend	trans	-83	-16.9	178.1	64.4	18.6	0	0	0	112.8	R408 Q430	R408-N426 HydrophobicContact CB-CB 4.3Å; R408-N426 PolarHBondContact NH1-O 3.47Å; N426-Q430 PolarHBondContact OD1-NE2 3.25Å; N426-Q430 PolarHBondContact OD1-OE1 3.35Å; N426-Q430 VanDerWaalsContact OD1-OE1 3.05Å
427	Q	90.2	Very high	90.3	Very high	71 Å²	71	68.4 Å²	68.4	33%	0.332	36%	0.357	S	S	.	.	S	Bend	trans	-129.9	143	178.5	-68.4	176.5	21.6	0	0	111.7	S429 Q430 L431	Q427-S429 PolarHBondContact O-N 3.2Å; Q427-Q430 HydrophobicContact CB-CG 4.1Å; Q427-Q430 WeakPolarHBondContact O-CB 3.48Å; Q427-Q430 PolarHBondContact O-N 3.14Å; Q427-L431 PolarHBondContact O-N 2.97Å
428	F	90.3	Very high	90	Very high	123 Å²	123	65.5 Å²	65.5	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-36.6	179.9	-178.6	-102.4	0	0	0	112.6	Y416 Q430 L431 T432	Y416-F428 HydrophobicContact CD1-CB 4.09Å; Y416-F428 AromaticContact CD1-CD2 3.93Å; Y416-F428 HydrophobicContact CD1-CD2 3.93Å; Y416-F428 HydrophobicContact CD2-CB 4.37Å; Y416-F428 VanDerWaalsContact CD2-N 3.32Å; Y416-F428 HydrophobicContact CE1-CB 3.88Å; Y416-F428 HydrophobicContact CE1-CD2 4.15Å; Y416-F428 HydrophobicContact CE1-CG 4.47Å; Y416-F428 HydrophobicContact CE2-CB 4.14Å; Y416-F428 VanDerWaalsContact CE2-N 3.29Å; Y416-F428 HydrophobicContact CG-CB 4.32Å; F428-Q430 PolarHBondContact O-N 3.47Å; F428-L431 HydrophobicContact CD2-CD2 4.43Å; F428-L431 HydrophobicContact CE2-CD2 4.49Å; F428-L431 WeakPolarHBondContact O-CA 3.24Å; F428-L431 WeakPolarHBondContact O-CB 3.37Å; F428-L431 PolarHBondContact O-N 3.19Å; F428-T432 WeakPolarHBondContact CE1-OG1 3.2Å; F428-T432 PolarHBondContact O-N 3.19Å; F428-T432 PolarHBondContact O-OG1 3.38Å
429	S	88.6	Confident	89.5	Confident	65 Å²	65	69.1 Å²	69.1	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-58.3	-35.8	175.9	51	0	0	0	0	112.7	Q427 T432 T433	Q427-S429 PolarHBondContact O-N 3.2Å; S429-T432 PolarHBondContact O-N 2.95Å; S429-T433 WeakPolarHBondContact O-CG2 3.41Å; S429-T433 PolarHBondContact O-N 3.25Å; S429-T433 PolarHBondContact O-OG1 3.44Å
430	Q	90	Very high	89	Confident	66 Å²	66	63 Å²	63	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-41.3	174.8	-64.3	173	-1.8	0	0	110.9	F425 N426 Q427 F428 T433 H434	F425-Q430 HydrophobicContact CB-CB 4Å; F425-Q430 HydrophobicContact CD1-CB 3.7Å; F425-Q430 HydrophobicContact CG-CB 4.03Å; N426-Q430 PolarHBondContact OD1-NE2 3.25Å; N426-Q430 PolarHBondContact OD1-OE1 3.35Å; N426-Q430 VanDerWaalsContact OD1-OE1 3.05Å; Q427-Q430 HydrophobicContact CB-CG 4.1Å; Q427-Q430 WeakPolarHBondContact O-CB 3.48Å; Q427-Q430 PolarHBondContact O-N 3.14Å; F428-Q430 PolarHBondContact O-N 3.47Å; Q430-T433 WeakPolarHBondContact CA-OG1 3.21Å; Q430-T433 PolarHBondContact O-N 2.93Å; Q430-T433 PolarHBondContact O-OG1 3.1Å; Q430-H434 WeakPolarHBondContact O-CB 3.28Å; Q430-H434 PolarHBondContact O-N 3.43Å
431	L	92.1	Very high	88.7	Confident	10 Å²	10	63 Å²	63	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-45.8	173.3	175.3	63.2	0	0	0	111.4	C418 F425 Q427 F428 T433 H434 K435	C418-L431 HydrophobicContact CB-CD1 3.68Å; F425-L431 HydrophobicContact CD2-CB 3.97Å; F425-L431 HydrophobicContact CD2-CD1 3.96Å; F425-L431 HydrophobicContact CE2-CD1 4.1Å; F425-L431 HydrophobicContact CG-CB 4.47Å; Q427-L431 PolarHBondContact O-N 2.97Å; F428-L431 HydrophobicContact CD2-CD2 4.43Å; F428-L431 HydrophobicContact CE2-CD2 4.49Å; F428-L431 WeakPolarHBondContact O-CA 3.24Å; F428-L431 WeakPolarHBondContact O-CB 3.37Å; F428-L431 PolarHBondContact O-N 3.19Å; L431-T433 PolarHBondContact O-N 3.35Å; L431-H434 WeakPolarHBondContact O-CB 3.25Å; L431-H434 PolarHBondContact O-N 3.46Å; L431-K435 HydrophobicContact CD1-CG 4.32Å; L431-K435 WeakPolarHBondContact O-CG 3.47Å; L431-K435 PolarHBondContact O-N 3.04Å
432	T	88.7	Confident	88.5	Confident	65 Å²	65	65.5 Å²	65.5	40%	0.399	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-48	177.6	-53.8	0	0	0	0	111.4	F428 S429 H434 K435	F428-T432 WeakPolarHBondContact CE1-OG1 3.2Å; F428-T432 PolarHBondContact O-N 3.19Å; F428-T432 PolarHBondContact O-OG1 3.38Å; S429-T432 PolarHBondContact O-N 2.95Å; T432-H434 VanDerWaalsContact C-N 3.26Å; T432-H434 PolarHBondContact O-N 3.47Å; T432-K435 PolarHBondContact O-N 3.47Å
433	T	87.1	Confident	88.3	Confident	52 Å²	52	66.3 Å²	66.3	32%	0.319	35%	0.349	S	S	.	.	H	α-helix	trans	-67.6	-28.8	178	53.2	0	0	0	0	112.7	S429 Q430 L431 I436	S429-T433 WeakPolarHBondContact O-CG2 3.41Å; S429-T433 PolarHBondContact O-N 3.25Å; S429-T433 PolarHBondContact O-OG1 3.44Å; Q430-T433 WeakPolarHBondContact CA-OG1 3.21Å; Q430-T433 PolarHBondContact O-N 2.93Å; Q430-T433 PolarHBondContact O-OG1 3.1Å; L431-T433 PolarHBondContact O-N 3.35Å; T433-I436 WeakPolarHBondContact O-CB 3.19Å
434	H	90	Very high	88.1	Confident	19 Å²	19	64.4 Å²	64.4	9%	0.088	34%	0.339	C	S	.	.	H	α-helix	trans	-70.1	-41.3	173.7	176.1	66	0	0	0	112.4	C421 F425 Q430 L431 T432 I436 I437 H438	C421-H434 PolarHBondContact SG-NE2 3.45Å; F425-H434 HydrophobicContact CE1-CB 4.17Å; F425-H434 HydrophobicContact CE2-CB 3.82Å; F425-H434 AromaticContact CE2-CD2 3.43Å; F425-H434 VanDerWaalsContact CE2-CD2 3.43Å; F425-H434 WeakPolarHBondContact CE2-CD2 3.36Å; F425-H434 AromaticContact CE2-CG 3.62Å; F425-H434 HydrophobicContact CZ-CB 3.5Å; F425-H434 VanDerWaalsContact CZ-CB 3.5Å; F425-H434 AromaticContact CZ-CD2 3.51Å; F425-H434 AromaticContact CZ-CG 3.26Å; F425-H434 AromaticContact CZ-ND1 3.69Å; Q430-H434 WeakPolarHBondContact O-CB 3.28Å; Q430-H434 PolarHBondContact O-N 3.43Å; L431-H434 WeakPolarHBondContact O-CB 3.25Å; L431-H434 PolarHBondContact O-N 3.46Å; T432-H434 VanDerWaalsContact C-N 3.26Å; T432-H434 PolarHBondContact O-N 3.47Å; H434-I436 PolarHBondContact O-N 3.24Å; H434-I437 WeakPolarHBondContact O-CB 3.27Å; H434-I437 WeakPolarHBondContact O-CG1 3.5Å; H434-I437 PolarHBondContact O-N 2.52Å; H434-H438 AromaticContact CD2-NE2 3.97Å; H434-H438 AromaticContact CE1-NE2 3.85Å; H434-H438 AromaticContact NE2-NE2 3.31Å; H434-H438 PolarHBondContact NE2-NE2 3.36Å
435	K	88.1	Confident	87.9	Confident	89 Å²	89	70.1 Å²	70.1	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-31.5	177.1	-74.7	-172.6	175.1	-162.2	0	113.3	L431 T432 I437 H438 T439	L431-K435 HydrophobicContact CD1-CG 4.32Å; L431-K435 WeakPolarHBondContact O-CG 3.47Å; L431-K435 PolarHBondContact O-N 3.04Å; T432-K435 PolarHBondContact O-N 3.47Å; K435-I437 PolarHBondContact O-N 3.4Å; K435-I437 VanDerWaalsContact O-N 3.14Å; K435-H438 PolarHBondContact O-N 3.2Å; K435-T439 PolarHBondContact O-N 2.87Å
436	I	88.1	Confident	87.9	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-25.1	174.1	-59.8	173.6	0	0	0	112	T433 H434 G440 E441 P443 K454	T433-I436 WeakPolarHBondContact O-CB 3.19Å; H434-I436 PolarHBondContact O-N 3.24Å; I436-G440 PolarHBondContact O-N 2.85Å; I436-G440 VanDerWaalsContact O-N 3.09Å; I436-E441 WeakPolarHBondContact CG2-O 3.24Å; I436-P443 HydrophobicContact CD1-CG 4.22Å; I436-K454 HydrophobicContact CG2-CB 4.1Å; I436-K454 HydrophobicContact CG2-CG 4.19Å
437	I	86.3	Confident	87.8	Confident	93 Å²	93	77 Å²	77	48%	0.477	39%	0.387	S	S	.	.	H	α-helix	trans	-68.2	-38.9	176.3	-58.3	176.1	0	0	0	110.7	H434 K435	H434-I437 WeakPolarHBondContact O-CB 3.27Å; H434-I437 WeakPolarHBondContact O-CG1 3.5Å; H434-I437 PolarHBondContact O-N 2.52Å; K435-I437 PolarHBondContact O-N 3.4Å; K435-I437 VanDerWaalsContact O-N 3.14Å
438	H	86.4	Confident	87.7	Confident	74 Å²	74	78.6 Å²	78.6	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-75.5	-42.5	-179.5	-62.9	-61.8	0	0	0	112.6	E420 C421 H434 K435 G440	E420-H438 WeakPolarHBondContact OE2-CB 3.46Å; E420-H438 IonicContact OE2-CD2 2.9Å; E420-H438 PolarHBondContact OE2-CD2 3.29Å; E420-H438 VanDerWaalsContact OE2-CD2 3.3Å; E420-H438 IonicContact OE2-CG 4Å; E420-H438 IonicContact OE2-ND1 3.7Å; C421-H438 PolarHBondContact SG-NE2 3.26Å; C421-H438 VanDerWaalsContact SG-NE2 3.35Å; H434-H438 AromaticContact CD2-NE2 3.97Å; H434-H438 AromaticContact CE1-NE2 3.85Å; H434-H438 AromaticContact NE2-NE2 3.31Å; H434-H438 PolarHBondContact NE2-NE2 3.36Å; K435-H438 PolarHBondContact O-N 3.2Å; H438-G440 PolarHBondContact O-N 3.18Å
439	T	84.5	Confident	87.7	Confident	76 Å²	76	75.3 Å²	75.3	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-73.5	-17.3	178.2	64.1	0	0	0	0	112.6	K435 E441	K435-T439 PolarHBondContact O-N 2.87Å; T439-E441 PolarHBondContact O-N 3.47Å; T439-E441 WeakPolarHBondContact OG1-CB 3.28Å; T439-E441 WeakPolarHBondContact OG1-CG 3.49Å; T439-E441 PolarHBondContact OG1-N 2.97Å
440	G	81.5	Confident	87.6	Confident	42 Å²	42	74.8 Å²	74.8	43%	0.433	39%	0.391	S	S	.	.			trans	67.2	1.6	-174	0	0	0	0	0	113.8	I436 H438	I436-G440 PolarHBondContact O-N 2.85Å; I436-G440 VanDerWaalsContact O-N 3.09Å; H438-G440 PolarHBondContact O-N 3.18Å
441	E	83.8	Confident	87.5	Confident	119 Å²	119	77.8 Å²	77.8	56%	0.556	40%	0.403	S	S	*	.			trans	-59.6	147	-177.9	-72.9	-179.5	175.3	0	0	110.9	I436 T439	I436-E441 WeakPolarHBondContact CG2-O 3.24Å; T439-E441 PolarHBondContact O-N 3.47Å; T439-E441 WeakPolarHBondContact OG1-CB 3.28Å; T439-E441 WeakPolarHBondContact OG1-CG 3.49Å; T439-E441 PolarHBondContact OG1-N 2.97Å
442	K	86	Confident	87.3	Confident	108 Å²	108	78.6 Å²	78.6	47%	0.47	41%	0.412	S	S	.	.			trans	-127.2	80.2	174.4	-66.2	179.9	178.5	-177	0	108.1	Y444 A452 F453 K454	K442-Y444 PolarHBondContact O-N 3.46Å; K442-Y444 VanDerWaalsContact O-N 3.16Å; K442-A452 HydrophobicContact CB-CB 3.41Å; K442-A452 VanDerWaalsContact CB-CB 3.41Å; K442-A452 HydrophobicContact CD-CB 3.98Å; K442-A452 WeakPolarHBondContact CD-O 3.31Å; K442-A452 HydrophobicContact CG-CB 4.35Å; K442-F453 CarbonylContact C-O 3.54Å; K442-F453 WeakPolarHBondContact CA-O 3.32Å; K442-K454 HydrophobicContact CG-CG 4.12Å
443	P	85.4	Confident	87.2	Confident	71 Å²	71	77.4 Å²	77.4	46%	0.461	40%	0.401	S	S	.	.			trans	-64.3	-23.9	-170.1	-22.2	33.8	0	0	0	113.3	I436 K445	I436-P443 HydrophobicContact CD1-CG 4.22Å; P443-K445 PolarHBondContact O-N 2.81Å
444	Y	88.5	Confident	87.2	Confident	89 Å²	89	78.9 Å²	78.9	35%	0.349	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	92.8	-172.5	-55.4	-76.1	0	0	0	110.3	K442 A452 F453 R455	K442-Y444 PolarHBondContact O-N 3.46Å; K442-Y444 VanDerWaalsContact O-N 3.16Å; Y444-A452 CarbonylContact O-C 3.29Å; Y444-A452 WeakPolarHBondContact O-CA 3.35Å; Y444-F453 PolarHBondContact N-O 2.88Å; Y444-F453 PolarHBondContact O-N 3.22Å; Y444-R455 VanDerWaalsContact CD2-C 3.4Å
445	K	89.2	Confident	86.9	Confident	152 Å²	152	84.6 Å²	84.6	66%	0.661	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.3	178.3	-62.6	-174.7	179.2	-179.1	0	111.8	P443 A452	P443-K445 PolarHBondContact O-N 2.81Å; K445-A452 HydrophobicContact CG-CB 3.86Å
446	C	90.9	Very high	86.8	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.034	43%	0.426	C	S	.	.			trans	-71.9	125.2	168.6	-173.9	0	0	0	0	109.2	E448 C449 G450 K451 L459	C446-E448 VanDerWaalsContact C-N 3.32Å; C446-C449 VanDerWaalsContact SG-SG 3.68Å; C446-G450 WeakPolarHBondContact O-CA 3.34Å; C446-G450 PolarHBondContact O-N 3.22Å; C446-K451 WeakPolarHBondContact CB-O 3.32Å; C446-K451 PolarHBondContact N-O 3.07Å; C446-L459 HydrophobicContact CB-CD1 3.61Å
447	K	88.4	Confident	86.8	Confident	211 Å²	211	85.5 Å²	85.5	92%	0.917	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.6	177.7	-66.3	-173.4	177.9	-175.3	0	112.7
448	E	87.9	Confident	86.8	Confident	105 Å²	105	84.1 Å²	84.1	49%	0.491	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-37.2	-173.8	-67.2	159.7	-149	0	0	111.9	C446 R463 H466	C446-E448 VanDerWaalsContact C-N 3.32Å; E448-R463 IonicContact OE1-NE 3.96Å; E448-R463 IonicContact OE1-NH2 3.83Å; E448-R463 PolarHBondContact OE1-NH2 3.01Å; E448-H466 WeakPolarHBondContact OE2-CB 3.49Å; E448-H466 IonicContact OE2-CD2 3.3Å; E448-H466 PolarHBondContact OE2-CD2 3.45Å; E448-H466 IonicContact OE2-CG 3.04Å
449	C	89.3	Confident	87	Confident	53 Å²	53	82 Å²	82	36%	0.358	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	4.3	-178.2	73	0	0	0	0	115.1	C446 K451 H462 H466	C446-C449 VanDerWaalsContact SG-SG 3.68Å; C449-K451 PolarHBondContact O-N 3.11Å; C449-H462 PolarHBondContact SG-NE2 2.92Å; C449-H466 PolarHBondContact SG-NE2 3.31Å
450	G	86.6	Confident	87.1	Confident	54 Å²	54	82.7 Å²	82.7	56%	0.557	43%	0.432	S	S	*	.			trans	72.3	-8.3	179.6	0	0	0	0	0	115.6	C446 A452	C446-G450 WeakPolarHBondContact O-CA 3.34Å; C446-G450 PolarHBondContact O-N 3.22Å; G450-A452 PolarHBondContact O-N 2.93Å
451	K	87.9	Confident	87.3	Confident	129 Å²	129	84.7 Å²	84.7	56%	0.561	43%	0.43	S	S	*	.			trans	-62.1	132.3	-179.7	-73.2	-177.9	178.9	177.1	0	111.3	C446 C449 F453	C446-K451 WeakPolarHBondContact CB-O 3.32Å; C446-K451 PolarHBondContact N-O 3.07Å; C449-K451 PolarHBondContact O-N 3.11Å; K451-F453 HydrophobicContact CB-CE2 3.91Å; K451-F453 HydrophobicContact CB-CZ 4.04Å; K451-F453 WeakPolarHBondContact O-CE2 3.28Å
452	A	89.3	Confident	87.5	Confident	28 Å²	28	79.9 Å²	79.9	23%	0.231	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.3	-178.9	0	0	0	0	0	111.5	K442 Y444 K445 G450	K442-A452 HydrophobicContact CB-CB 3.41Å; K442-A452 VanDerWaalsContact CB-CB 3.41Å; K442-A452 HydrophobicContact CD-CB 3.98Å; K442-A452 WeakPolarHBondContact CD-O 3.31Å; K442-A452 HydrophobicContact CG-CB 4.35Å; Y444-A452 CarbonylContact O-C 3.29Å; Y444-A452 WeakPolarHBondContact O-CA 3.35Å; K445-A452 HydrophobicContact CG-CB 3.86Å; G450-A452 PolarHBondContact O-N 2.93Å
453	F	86.9	Confident	87.5	Confident	39 Å²	39	80.3 Å²	80.3	17%	0.171	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.2	-177.5	-59.1	-89.9	0	0	0	111.3	K442 Y444 K451 N458 L459 H462	K442-F453 CarbonylContact C-O 3.54Å; K442-F453 WeakPolarHBondContact CA-O 3.32Å; Y444-F453 PolarHBondContact N-O 2.88Å; Y444-F453 PolarHBondContact O-N 3.22Å; K451-F453 HydrophobicContact CB-CE2 3.91Å; K451-F453 HydrophobicContact CB-CZ 4.04Å; K451-F453 WeakPolarHBondContact O-CE2 3.28Å; F453-N458 HydrophobicContact CB-CB 4.17Å; F453-N458 HydrophobicContact CD1-CB 3.86Å; F453-N458 HydrophobicContact CG-CB 4.25Å; F453-L459 HydrophobicContact CB-CB 4.39Å; F453-L459 HydrophobicContact CD2-CB 3.89Å; F453-L459 HydrophobicContact CD2-CD1 3.78Å; F453-L459 HydrophobicContact CD2-CG 4.43Å; F453-L459 HydrophobicContact CE2-CD1 3.9Å; F453-L459 HydrophobicContact CG-CB 4.32Å; F453-H462 HydrophobicContact CE1-CB 3.98Å; F453-H462 HydrophobicContact CE2-CB 3.86Å; F453-H462 AromaticContact CE2-CD2 3.39Å; F453-H462 WeakPolarHBondContact CE2-CD2 3.17Å; F453-H462 AromaticContact CE2-CG 3.64Å; F453-H462 HydrophobicContact CZ-CB 3.42Å; F453-H462 VanDerWaalsContact CZ-CB 3.42Å; F453-H462 AromaticContact CZ-CD2 3.42Å; F453-H462 VanDerWaalsContact CZ-CD2 3.42Å; F453-H462 WeakPolarHBondContact CZ-CD2 3.27Å; F453-H462 AromaticContact CZ-CG 3.21Å; F453-H462 AromaticContact CZ-ND1 3.75Å
454	K	85.2	Confident	87.5	Confident	84 Å²	84	78.3 Å²	78.3	37%	0.365	39%	0.391	S	S	.	.	S	Bend	trans	-78.6	-22.1	177.1	-62.8	-173.7	179.2	-174.3	0	113.1	I436 K442	I436-K454 HydrophobicContact CG2-CB 4.1Å; I436-K454 HydrophobicContact CG2-CG 4.19Å; K442-K454 HydrophobicContact CG-CG 4.12Å
455	R	84.4	Confident	87.3	Confident	139 Å²	139	79.2 Å²	79.2	53%	0.525	40%	0.401	S	S	.	.	S	Bend	trans	-129.9	145.3	-179	-65.1	-178.1	179.4	172.4	0.3	110.5	Y444 S457 N458 L459	Y444-R455 VanDerWaalsContact CD2-C 3.4Å; R455-S457 VanDerWaalsContact C-N 3.33Å; R455-S457 PolarHBondContact O-N 3.44Å; R455-N458 PolarHBondContact O-N 3.24Å; R455-L459 PolarHBondContact O-N 3.45Å
456	S	86.6	Confident	87.1	Confident	62 Å²	62	75.6 Å²	75.6	43%	0.434	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-36.6	176.7	59.4	0	0	0	0	112.6	N458 L459 T460	S456-N458 VanDerWaalsContact C-N 3.28Å; S456-N458 PolarHBondContact O-N 3.08Å; S456-L459 WeakPolarHBondContact O-CB 3.43Å; S456-L459 PolarHBondContact O-N 2.72Å; S456-L459 VanDerWaalsContact O-N 3.11Å; S456-T460 PolarHBondContact O-N 2.96Å; S456-T460 PolarHBondContact O-OG1 2.95Å
457	S	86.8	Confident	86.8	Confident	63 Å²	63	78.8 Å²	78.8	44%	0.441	41%	0.405	S	S	.	.	H	α-helix	trans	-55.5	-44.5	176.1	53.2	0	0	0	0	111.7	R455 L459 T460 E461	R455-S457 VanDerWaalsContact C-N 3.33Å; R455-S457 PolarHBondContact O-N 3.44Å; S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 3.35Å; S457-T460 WeakPolarHBondContact O-CB 3.11Å; S457-T460 PolarHBondContact O-N 2.93Å; S457-E461 WeakPolarHBondContact O-CB 3.42Å; S457-E461 PolarHBondContact O-N 3.46Å
458	N	87.8	Confident	86.4	Confident	63 Å²	63	71.2 Å²	71.2	34%	0.337	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-33.9	-179.7	-60.1	24.8	0	0	0	111.3	F453 R455 S456 H462	F453-N458 HydrophobicContact CB-CB 4.17Å; F453-N458 HydrophobicContact CD1-CB 3.86Å; F453-N458 HydrophobicContact CG-CB 4.25Å; R455-N458 PolarHBondContact O-N 3.24Å; S456-N458 VanDerWaalsContact C-N 3.28Å; S456-N458 PolarHBondContact O-N 3.08Å; N458-H462 WeakPolarHBondContact O-CB 3.5Å; N458-H462 PolarHBondContact O-N 3.44Å
459	L	89.1	Confident	86.1	Confident	29 Å²	29	71.9 Å²	71.9	15%	0.152	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-45.1	172.1	174.1	62.5	0	0	0	110.9	C446 F453 R455 S456 S457 E461 H462 R463	C446-L459 HydrophobicContact CB-CD1 3.61Å; F453-L459 HydrophobicContact CB-CB 4.39Å; F453-L459 HydrophobicContact CD2-CB 3.89Å; F453-L459 HydrophobicContact CD2-CD1 3.78Å; F453-L459 HydrophobicContact CD2-CG 4.43Å; F453-L459 HydrophobicContact CE2-CD1 3.9Å; F453-L459 HydrophobicContact CG-CB 4.32Å; R455-L459 PolarHBondContact O-N 3.45Å; S456-L459 WeakPolarHBondContact O-CB 3.43Å; S456-L459 PolarHBondContact O-N 2.72Å; S456-L459 VanDerWaalsContact O-N 3.11Å; S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 3.35Å; L459-E461 VanDerWaalsContact C-N 3.34Å; L459-E461 PolarHBondContact O-N 3.44Å; L459-H462 PolarHBondContact O-N 3.37Å; L459-R463 HydrophobicContact CD1-CG 4.31Å; L459-R463 WeakPolarHBondContact O-CG 3.24Å; L459-R463 PolarHBondContact O-N 3.45Å
460	T	86.7	Confident	85.9	Confident	92 Å²	92	75.3 Å²	75.3	56%	0.564	40%	0.4	S	S	*	.	H	α-helix	trans	-58.7	-47.7	177	-60.6	0	0	0	0	111.2	S456 S457 H462 R463 I464	S456-T460 PolarHBondContact O-N 2.96Å; S456-T460 PolarHBondContact O-OG1 2.95Å; S457-T460 WeakPolarHBondContact O-CB 3.11Å; S457-T460 PolarHBondContact O-N 2.93Å; T460-H462 VanDerWaalsContact C-N 3.34Å; T460-H462 PolarHBondContact O-N 3.45Å; T460-R463 PolarHBondContact O-N 2.87Å; T460-I464 PolarHBondContact O-N 2.71Å
461	E	86.3	Confident	85.8	Confident	84 Å²	84	76.3 Å²	76.3	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-45.6	175.3	-172.2	-175.5	156.1	0	0	111.9	S457 L459 R463 I464 L483	S457-E461 WeakPolarHBondContact O-CB 3.42Å; S457-E461 PolarHBondContact O-N 3.46Å; L459-E461 VanDerWaalsContact C-N 3.34Å; L459-E461 PolarHBondContact O-N 3.44Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.61Å; E461-I464 WeakPolarHBondContact O-CB 3.11Å; E461-I464 PolarHBondContact O-N 3.13Å; E461-L483 HydrophobicContact CG-CD2 3.11Å; E461-L483 HydrophobicContact CG-CG 4.48Å; E461-L483 WeakPolarHBondContact OE1-CD1 3.5Å; E461-L483 WeakPolarHBondContact OE1-CD2 3.49Å
462	H	88.3	Confident	85.7	Confident	18 Å²	18	74.4 Å²	74.4	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-36.7	176.7	172.4	63.5	0	0	0	113	C449 F453 N458 L459 T460 I464 I465 H466	C449-H462 PolarHBondContact SG-NE2 2.92Å; F453-H462 HydrophobicContact CE1-CB 3.98Å; F453-H462 HydrophobicContact CE2-CB 3.86Å; F453-H462 AromaticContact CE2-CD2 3.39Å; F453-H462 WeakPolarHBondContact CE2-CD2 3.17Å; F453-H462 AromaticContact CE2-CG 3.64Å; F453-H462 HydrophobicContact CZ-CB 3.42Å; F453-H462 VanDerWaalsContact CZ-CB 3.42Å; F453-H462 AromaticContact CZ-CD2 3.42Å; F453-H462 VanDerWaalsContact CZ-CD2 3.42Å; F453-H462 WeakPolarHBondContact CZ-CD2 3.27Å; F453-H462 AromaticContact CZ-CG 3.21Å; F453-H462 AromaticContact CZ-ND1 3.75Å; N458-H462 WeakPolarHBondContact O-CB 3.5Å; N458-H462 PolarHBondContact O-N 3.44Å; L459-H462 PolarHBondContact O-N 3.37Å; T460-H462 VanDerWaalsContact C-N 3.34Å; T460-H462 PolarHBondContact O-N 3.45Å; H462-I464 PolarHBondContact O-N 3.26Å; H462-I465 VanDerWaalsContact O-CB 3.25Å; H462-I465 WeakPolarHBondContact O-CB 3.4Å; H462-I465 WeakPolarHBondContact O-CG1 3.25Å; H462-I465 PolarHBondContact O-N 2.64Å; H462-H466 AromaticContact CD2-NE2 3.96Å; H462-H466 AromaticContact CE1-NE2 3.64Å; H462-H466 AromaticContact NE2-CD2 3.94Å; H462-H466 AromaticContact NE2-NE2 3.16Å; H462-H466 PolarHBondContact NE2-NE2 3.21Å; H462-H466 VanDerWaalsContact NE2-NE2 3.16Å
463	R	85.9	Confident	85.7	Confident	117 Å²	117	79.5 Å²	79.5	44%	0.442	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-26.9	178.4	-73.2	-175.3	75.5	-129.7	-3.6	113	E448 L459 T460 E461 I465 H466 T467	E448-R463 IonicContact OE1-NE 3.96Å; E448-R463 IonicContact OE1-NH2 3.83Å; E448-R463 PolarHBondContact OE1-NH2 3.01Å; L459-R463 HydrophobicContact CD1-CG 4.31Å; L459-R463 WeakPolarHBondContact O-CG 3.24Å; L459-R463 PolarHBondContact O-N 3.45Å; T460-R463 PolarHBondContact O-N 2.87Å; E461-R463 VanDerWaalsContact C-N 3.31Å; E461-R463 PolarHBondContact O-N 2.61Å; R463-I465 PolarHBondContact O-N 3.12Å; R463-H466 PolarHBondContact O-N 3.36Å; R463-T467 PolarHBondContact O-N 2.92Å; R463-T467 VanDerWaalsContact O-N 3.16Å
464	I	86.1	Confident	85.9	Confident	28 Å²	28	78.6 Å²	78.6	14%	0.144	40%	0.401	C	S	.	.	H	α-helix	trans	-61	-29.1	175.1	-59.4	173.8	0	0	0	110.9	T460 E461 H462 H466 T467 G468 E469 N482	T460-I464 PolarHBondContact O-N 2.71Å; E461-I464 WeakPolarHBondContact O-CB 3.11Å; E461-I464 PolarHBondContact O-N 3.13Å; H462-I464 PolarHBondContact O-N 3.26Å; I464-H466 VanDerWaalsContact C-N 3.31Å; I464-H466 PolarHBondContact O-N 3.13Å; I464-T467 WeakPolarHBondContact CA-OG1 3.27Å; I464-T467 PolarHBondContact O-N 2.95Å; I464-T467 PolarHBondContact O-OG1 3.01Å; I464-G468 PolarHBondContact O-N 2.86Å; I464-E469 HydrophobicContact CG2-CB 4.3Å; I464-E469 WeakPolarHBondContact CG2-O 3.32Å; I464-N482 HydrophobicContact CG2-CB 3.94Å
465	I	84.4	Confident	86.2	Confident	109 Å²	109	83.1 Å²	83.1	56%	0.559	42%	0.424	S	S	*	.	H	α-helix	trans	-66.4	-35.8	176.4	-54.7	174.5	0	0	0	111.1	H462 R463	H462-I465 VanDerWaalsContact O-CB 3.25Å; H462-I465 WeakPolarHBondContact O-CB 3.4Å; H462-I465 WeakPolarHBondContact O-CG1 3.25Å; H462-I465 PolarHBondContact O-N 2.64Å; R463-I465 PolarHBondContact O-N 3.12Å
466	H	84.5	Confident	86.4	Confident	76 Å²	76	85.6 Å²	85.6	35%	0.352	44%	0.441	S	S	.	.	H	α-helix	trans	-77.4	-36.3	179.2	-65.2	-52.4	0	0	0	112.7	E448 C449 H462 R463 I464 G468	E448-H466 WeakPolarHBondContact OE2-CB 3.49Å; E448-H466 IonicContact OE2-CD2 3.3Å; E448-H466 PolarHBondContact OE2-CD2 3.45Å; E448-H466 IonicContact OE2-CG 3.04Å; C449-H466 PolarHBondContact SG-NE2 3.31Å; H462-H466 AromaticContact CD2-NE2 3.96Å; H462-H466 AromaticContact CE1-NE2 3.64Å; H462-H466 AromaticContact NE2-CD2 3.94Å; H462-H466 AromaticContact NE2-NE2 3.16Å; H462-H466 PolarHBondContact NE2-NE2 3.21Å; H462-H466 VanDerWaalsContact NE2-NE2 3.16Å; R463-H466 PolarHBondContact O-N 3.36Å; I464-H466 VanDerWaalsContact C-N 3.31Å; I464-H466 PolarHBondContact O-N 3.13Å; H466-G468 VanDerWaalsContact C-N 3.29Å
467	T	83.6	Confident	86.6	Confident	71 Å²	71	85.8 Å²	85.8	44%	0.436	44%	0.442	S	S	.	.	H	α-helix	trans	-77.7	-18.9	176.5	61.3	0	0	0	0	112.5	R463 I464 E469	R463-T467 PolarHBondContact O-N 2.92Å; R463-T467 VanDerWaalsContact O-N 3.16Å; I464-T467 WeakPolarHBondContact CA-OG1 3.27Å; I464-T467 PolarHBondContact O-N 2.95Å; I464-T467 PolarHBondContact O-OG1 3.01Å; T467-E469 PolarHBondContact O-N 3.11Å; T467-E469 VanDerWaalsContact O-N 3.17Å; T467-E469 WeakPolarHBondContact OG1-CG 3.45Å; T467-E469 PolarHBondContact OG1-N 3.21Å
468	G	79.8	Confident	86.6	Confident	53 Å²	53	85.5 Å²	85.5	55%	0.546	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	7.8	-174.2	0	0	0	0	0	113.3	I464 H466	I464-G468 PolarHBondContact O-N 2.86Å; H466-G468 VanDerWaalsContact C-N 3.29Å
469	E	83.2	Confident	86.7	Confident	118 Å²	118	88.4 Å²	88.4	55%	0.551	46%	0.458	S	S	*	.			trans	-62.6	138.9	179.6	-73.5	177.7	-178.8	0	0	109.9	I464 T467 P471	I464-E469 HydrophobicContact CG2-CB 4.3Å; I464-E469 WeakPolarHBondContact CG2-O 3.32Å; T467-E469 PolarHBondContact O-N 3.11Å; T467-E469 VanDerWaalsContact O-N 3.17Å; T467-E469 WeakPolarHBondContact OG1-CG 3.45Å; T467-E469 PolarHBondContact OG1-N 3.21Å; E469-P471 HydrophobicContact CB-CG 4.5Å; E469-P471 WeakPolarHBondContact O-CD 3.35Å
470	K	84.2	Confident	86.6	Confident	126 Å²	126	88.4 Å²	88.4	55%	0.548	46%	0.462	S	S	.	.			trans	-123.6	79.2	174.3	-69.5	173.2	167.5	-166.6	0	108.6	Y472 A480 F481	K470-Y472 PolarHBondContact O-N 3.38Å; K470-A480 HydrophobicContact CB-CB 3.51Å; K470-A480 HydrophobicContact CD-CB 4Å; K470-A480 WeakPolarHBondContact CD-O 3.46Å; K470-A480 HydrophobicContact CG-CB 4.37Å; K470-F481 CarbonylContact C-O 3.4Å; K470-F481 WeakPolarHBondContact CA-O 3.29Å
471	P	84.1	Confident	86.6	Confident	75 Å²	75	86 Å²	86	49%	0.487	44%	0.444	S	S	.	.			trans	-68.1	-21.7	-170.8	-18.6	32.3	0	0	0	113.2	E469	E469-P471 HydrophobicContact CB-CG 4.5Å; E469-P471 WeakPolarHBondContact O-CD 3.35Å
472	Y	87.6	Confident	86.4	Confident	89 Å²	89	84.6 Å²	84.6	35%	0.349	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103.2	-171.9	-56.5	-76	0	0	0	109.7	K470 A480 F481 N482 L483	K470-Y472 PolarHBondContact O-N 3.38Å; Y472-A480 CarbonylContact O-C 3.55Å; Y472-A480 VanDerWaalsContact O-CA 3.32Å; Y472-A480 WeakPolarHBondContact O-CA 2.89Å; Y472-F481 PolarHBondContact N-O 3.36Å; Y472-F481 PolarHBondContact O-N 2.9Å; Y472-N482 WeakPolarHBondContact CE2-O 3.41Å; Y472-L483 VanDerWaalsContact CD2-C 3.41Å
473	K	88.6	Confident	86.2	Confident	134 Å²	134	85 Å²	85	58%	0.583	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.3	179.8	-64.1	-174.7	179.1	-179.2	0	110.8	K479 A480	K473-K479 CarbonylContact C-O 3.35Å; K473-K479 WeakPolarHBondContact CA-O 3.24Å; K473-A480 HydrophobicContact CG-CB 3.83Å
474	C	91.8	Very high	86.1	Confident	20 Å²	20	82.2 Å²	82.2	14%	0.135	44%	0.44	C	S	.	.			trans	-78.6	119.8	167.1	178.6	0	0	0	0	108.3	E476 G478 K479 L487	C474-E476 VanDerWaalsContact C-N 3.26Å; C474-E476 PolarHBondContact O-N 2.84Å; C474-G478 WeakPolarHBondContact O-CA 3.24Å; C474-G478 PolarHBondContact O-N 3.06Å; C474-K479 WeakPolarHBondContact CB-O 3.43Å; C474-K479 PolarHBondContact N-O 3.27Å; C474-L487 HydrophobicContact CB-CD1 3.68Å
475	E	90.1	Very high	86.1	Confident	179 Å²	179	84.1 Å²	84.1	84%	0.836	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.3	-179.3	-62.6	-59.9	148.7	0	0	112.2
476	E	88.2	Confident	86.2	Confident	191 Å²	191	82.8 Å²	82.8	89%	0.893	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-41.5	-178.3	-63.6	-172.8	173.7	0	0	113.1	C474	C474-E476 VanDerWaalsContact C-N 3.26Å; C474-E476 PolarHBondContact O-N 2.84Å
477	C	91.9	Very high	86.4	Confident	67 Å²	67	81.1 Å²	81.1	45%	0.453	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	1.4	-175.7	76.7	0	0	0	0	114.7	K479 H490	C477-K479 PolarHBondContact O-N 3.47Å; C477-K479 VanDerWaalsContact O-N 3.09Å; C477-K479 VanDerWaalsContact SG-CG 3.56Å; C477-H490 PolarHBondContact SG-NE2 3.15Å
478	G	86.7	Confident	86.6	Confident	56 Å²	56	83.1 Å²	83.1	58%	0.577	45%	0.453	S	S	*	.			trans	70.6	-1.5	178.9	0	0	0	0	0	115.4	C474 A480	C474-G478 WeakPolarHBondContact O-CA 3.24Å; C474-G478 PolarHBondContact O-N 3.06Å; G478-A480 PolarHBondContact O-N 3.45Å
479	K	89.1	Confident	87.1	Confident	125 Å²	125	86.1 Å²	86.1	54%	0.543	46%	0.461	S	S	.	.			trans	-65.6	133.1	179.8	-73.2	179.8	-177	173.2	0	110.7	K473 C474 C477 F481	K473-K479 CarbonylContact C-O 3.35Å; K473-K479 WeakPolarHBondContact CA-O 3.24Å; C474-K479 WeakPolarHBondContact CB-O 3.43Å; C474-K479 PolarHBondContact N-O 3.27Å; C477-K479 PolarHBondContact O-N 3.47Å; C477-K479 VanDerWaalsContact O-N 3.09Å; C477-K479 VanDerWaalsContact SG-CG 3.56Å; K479-F481 HydrophobicContact CB-CE2 3.87Å; K479-F481 HydrophobicContact CB-CZ 3.96Å; K479-F481 WeakPolarHBondContact O-CE2 3.34Å
480	A	87.9	Confident	87.3	Confident	28 Å²	28	85.6 Å²	85.6	23%	0.231	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.3	-177.6	0	0	0	0	0	111.4	K470 Y472 K473 G478	K470-A480 HydrophobicContact CB-CB 3.51Å; K470-A480 HydrophobicContact CD-CB 4Å; K470-A480 WeakPolarHBondContact CD-O 3.46Å; K470-A480 HydrophobicContact CG-CB 4.37Å; Y472-A480 CarbonylContact O-C 3.55Å; Y472-A480 VanDerWaalsContact O-CA 3.32Å; Y472-A480 WeakPolarHBondContact O-CA 2.89Å; K473-A480 HydrophobicContact CG-CB 3.83Å; G478-A480 PolarHBondContact O-N 3.45Å
481	F	85.7	Confident	87.4	Confident	42 Å²	42	83.6 Å²	83.6	18%	0.184	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.9	-175.7	-56.5	-89.7	0	0	0	110.7	K470 Y472 K479 H486 L487 H490	K470-F481 CarbonylContact C-O 3.4Å; K470-F481 WeakPolarHBondContact CA-O 3.29Å; Y472-F481 PolarHBondContact N-O 3.36Å; Y472-F481 PolarHBondContact O-N 2.9Å; K479-F481 HydrophobicContact CB-CE2 3.87Å; K479-F481 HydrophobicContact CB-CZ 3.96Å; K479-F481 WeakPolarHBondContact O-CE2 3.34Å; F481-H486 HydrophobicContact CB-CB 4.08Å; F481-H486 HydrophobicContact CD1-CB 3.76Å; F481-H486 HydrophobicContact CG-CB 4.14Å; F481-L487 HydrophobicContact CB-CB 4.49Å; F481-L487 HydrophobicContact CD2-CB 3.91Å; F481-L487 HydrophobicContact CD2-CD1 3.86Å; F481-L487 HydrophobicContact CD2-CG 4.49Å; F481-L487 HydrophobicContact CE2-CD1 3.93Å; F481-L487 HydrophobicContact CG-CB 4.38Å; F481-H490 HydrophobicContact CE1-CB 4.08Å; F481-H490 HydrophobicContact CE2-CB 4.02Å; F481-H490 AromaticContact CE2-CD2 3.28Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.32Å; F481-H490 AromaticContact CE2-CG 3.77Å; F481-H490 HydrophobicContact CZ-CB 3.53Å; F481-H490 AromaticContact CZ-CD2 3.26Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.46Å; F481-H490 AromaticContact CZ-CG 3.29Å; F481-H490 AromaticContact CZ-NE2 3.98Å
482	N	83.9	Confident	87.6	Confident	54 Å²	54	84 Å²	84	29%	0.289	45%	0.452	S	S	.	.	S	Bend	trans	-79.7	-25.2	174.4	54.7	3.5	0	0	0	112.5	I464 Y472 H486	I464-N482 HydrophobicContact CG2-CB 3.94Å; Y472-N482 WeakPolarHBondContact CE2-O 3.41Å; N482-H486 PolarHBondContact OD1-ND1 2.97Å
483	L	82.9	Confident	87.6	Confident	28 Å²	28	83.7 Å²	83.7	15%	0.147	46%	0.458	C	S	.	.	S	Bend	trans	-119.3	140.4	-179.7	-54.7	-173.9	0	0	0	111.7	E461 Y472 S485 H486 L487	E461-L483 HydrophobicContact CG-CD2 3.11Å; E461-L483 HydrophobicContact CG-CG 4.48Å; E461-L483 WeakPolarHBondContact OE1-CD1 3.5Å; E461-L483 WeakPolarHBondContact OE1-CD2 3.49Å; Y472-L483 VanDerWaalsContact CD2-C 3.41Å; L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.43Å; L483-H486 HydrophobicContact CB-CB 4.29Å; L483-H486 VanDerWaalsContact CD1-CE1 3.47Å; L483-H486 WeakPolarHBondContact CD1-CE1 3.42Å; L483-H486 PolarHBondContact O-N 3.47Å; L483-L487 PolarHBondContact O-N 3.42Å
484	S	84.2	Confident	87.6	Confident	58 Å²	58	80.8 Å²	80.8	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-36.5	171.7	-175.3	0	0	0	0	111.9	H486 L487 T488	S484-H486 VanDerWaalsContact C-N 3.32Å; S484-H486 PolarHBondContact O-N 3.05Å; S484-L487 PolarHBondContact O-N 3.26Å; S484-T488 PolarHBondContact O-N 3.49Å; S484-T488 PolarHBondContact O-OG1 3.49Å
485	S	85.9	Confident	87.3	Confident	67 Å²	67	84.6 Å²	84.6	47%	0.469	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-39.7	178.8	49.4	0	0	0	0	111.9	L483 L487 T488 T489	L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.43Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.39Å; S485-T488 PolarHBondContact O-N 3.15Å; S485-T489 WeakPolarHBondContact O-CG2 3.45Å; S485-T489 PolarHBondContact O-N 3.21Å; S485-T489 PolarHBondContact O-OG1 3.48Å; S485-T489 VanDerWaalsContact O-OG1 3.12Å
486	H	87.2	Confident	87.1	Confident	82 Å²	82	78.3 Å²	78.3	38%	0.38	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-37.1	176.6	-66.8	165.2	0	0	0	112.2	F481 N482 L483 S484 T489 H490	F481-H486 HydrophobicContact CB-CB 4.08Å; F481-H486 HydrophobicContact CD1-CB 3.76Å; F481-H486 HydrophobicContact CG-CB 4.14Å; N482-H486 PolarHBondContact OD1-ND1 2.97Å; L483-H486 HydrophobicContact CB-CB 4.29Å; L483-H486 VanDerWaalsContact CD1-CE1 3.47Å; L483-H486 WeakPolarHBondContact CD1-CE1 3.42Å; L483-H486 PolarHBondContact O-N 3.47Å; S484-H486 VanDerWaalsContact C-N 3.32Å; S484-H486 PolarHBondContact O-N 3.05Å; H486-T489 WeakPolarHBondContact CA-OG1 3.35Å; H486-T489 PolarHBondContact O-OG1 3.47Å; H486-H490 WeakPolarHBondContact O-CB 3.32Å; H486-H490 PolarHBondContact O-N 3.41Å
487	L	87.9	Confident	87	Confident	41 Å²	41	70.2 Å²	70.2	22%	0.215	41%	0.413	C	S	.	.	H	α-helix	trans	-66.6	-39.2	171.9	176	62.7	0	0	0	111.7	C474 F481 L483 S484 S485 T489 H490	C474-L487 HydrophobicContact CB-CD1 3.68Å; F481-L487 HydrophobicContact CB-CB 4.49Å; F481-L487 HydrophobicContact CD2-CB 3.91Å; F481-L487 HydrophobicContact CD2-CD1 3.86Å; F481-L487 HydrophobicContact CD2-CG 4.49Å; F481-L487 HydrophobicContact CE2-CD1 3.93Å; F481-L487 HydrophobicContact CG-CB 4.38Å; L483-L487 PolarHBondContact O-N 3.42Å; S484-L487 PolarHBondContact O-N 3.26Å; S485-L487 VanDerWaalsContact C-N 3.33Å; S485-L487 PolarHBondContact O-N 3.39Å; L487-T489 VanDerWaalsContact C-N 3.33Å; L487-T489 PolarHBondContact O-N 3.41Å; L487-H490 PolarHBondContact O-N 3.37Å; L487-H490 VanDerWaalsContact O-OXT 3.12Å
488	T	87.2	Confident	86.7	Confident	112 Å²	112	70.5 Å²	70.5	69%	0.687	41%	0.41	S	S	*	.	H	α-helix	trans	-68.7	-31	178.3	-53.2	0	0	0	0	113	S484 S485	S484-T488 PolarHBondContact O-N 3.49Å; S484-T488 PolarHBondContact O-OG1 3.49Å; S485-T488 PolarHBondContact O-N 3.15Å
489	T	90	Very high	86.7	Confident	117 Å²	117	71.7 Å²	71.7	72%	0.718	40%	0.397	S	S	*	.	H	α-helix	trans	-81.4	-25.8	176.1	50.6	0	0	0	0	113.8	S485 H486 L487	S485-T489 WeakPolarHBondContact O-CG2 3.45Å; S485-T489 PolarHBondContact O-N 3.21Å; S485-T489 PolarHBondContact O-OG1 3.48Å; S485-T489 VanDerWaalsContact O-OG1 3.12Å; H486-T489 WeakPolarHBondContact CA-OG1 3.35Å; H486-T489 PolarHBondContact O-OG1 3.47Å; L487-T489 VanDerWaalsContact C-N 3.33Å; L487-T489 PolarHBondContact O-N 3.41Å
490	H	88	Confident	86.4	Confident	106 Å²	106	66.8 Å²	66.8	49%	0.491	38%	0.383	S	S	.	.			trans	-75.6	0	178	166.3	43.8	0	0	0	110.4	C477 F481 H486 L487	C477-H490 PolarHBondContact SG-NE2 3.15Å; F481-H490 HydrophobicContact CE1-CB 4.08Å; F481-H490 HydrophobicContact CE2-CB 4.02Å; F481-H490 AromaticContact CE2-CD2 3.28Å; F481-H490 WeakPolarHBondContact CE2-CD2 3.32Å; F481-H490 AromaticContact CE2-CG 3.77Å; F481-H490 HydrophobicContact CZ-CB 3.53Å; F481-H490 AromaticContact CZ-CD2 3.26Å; F481-H490 WeakPolarHBondContact CZ-CD2 3.46Å; F481-H490 AromaticContact CZ-CG 3.29Å; F481-H490 AromaticContact CZ-NE2 3.98Å; H486-H490 WeakPolarHBondContact O-CB 3.32Å; H486-H490 PolarHBondContact O-N 3.41Å; L487-H490 PolarHBondContact O-N 3.37Å; L487-H490 VanDerWaalsContact O-OXT 3.12Å

Retrieved 490 of 490 residues in 464.6 ms (Link to these results)

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