A0A075B7G4_HUMAN Loading...

Zinc finger protein 595

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A075B7G4, Species HUMAN (Homo sapiens, Human), Gene ZNF595, Length 616 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	45.6	Very low	55.9	Low	242 Å²	242	120 Å²	120	100%	1.192	60%	0.604	S	S	*	*				0	115.5	0	-107.9	178.3	-100.3	0	0	106.4
2	E	43.5	Very low	56.3	Low	198 Å²	198	121.2 Å²	121.2	93%	0.925	61%	0.606	S	S	*	*			trans	-62.1	135.8	170.1	-79.1	177.2	140.8	0	0	109.1	V4	E2-V4 PolarHBondContact O-N 3.46Å
3	L	53.9	Low	56.7	Low	160 Å²	160	118 Å²	118	84%	0.838	59%	0.586	S	S	*	*			trans	-75.4	114.4	178	-83.5	154.6	0	0	0	108.7	T5	L3-T5 PolarHBondContact O-N 3.15Å
4	V	50.6	Low	56.9	Low	93 Å²	93	112.4 Å²	112.4	56%	0.564	57%	0.565	S	S	*	*			trans	-68.3	118.8	171.6	-177.5	0	0	0	0	108.6	E2 D8 V9 L40	E2-V4 PolarHBondContact O-N 3.46Å; V4-D8 HydrophobicContact CG1-CB 4.17Å; V4-V9 HydrophobicContact CG1-CG1 3.93Å; V4-L40 HydrophobicContact CG1-CD2 4.35Å; V4-L40 WeakPolarHBondContact O-CD2 3.19Å
5	T	59.2	Low	56.5	Low	68 Å²	68	111 Å²	111	42%	0.417	57%	0.566	S	S	.	*			trans	-95.7	162.5	177	73.5	0	0	0	0	110.6	L3 R7 D8	L3-T5 PolarHBondContact O-N 3.15Å; T5-R7 PolarHBondContact O-N 3.16Å; T5-R7 VanDerWaalsContact O-N 3.13Å; T5-R7 PolarHBondContact OG1-N 3.42Å; T5-D8 WeakPolarHBondContact CA-OD2 3.46Å; T5-D8 WeakPolarHBondContact CB-OD2 3Å; T5-D8 PolarHBondContact N-OD2 2.75Å; T5-D8 WeakPolarHBondContact O-CB 2.97Å; T5-D8 PolarHBondContact O-N 3.11Å; T5-D8 PolarHBondContact OG1-OD2 3.25Å
6	F	56	Low	56.3	Low	81 Å²	81	112.4 Å²	112.4	36%	0.355	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-58.5	-28	176.7	-174.6	-106	0	0	0	112.6	D8 V9 A10 M33 N36 Y37 L40	F6-D8 PolarHBondContact O-N 2.8Å; F6-V9 HydrophobicContact CD2-CG2 4.33Å; F6-V9 WeakPolarHBondContact O-CG2 3.31Å; F6-V9 PolarHBondContact O-N 3.29Å; F6-A10 HydrophobicContact CD1-CB 4.12Å; F6-A10 HydrophobicContact CE1-CB 3.85Å; F6-A10 HydrophobicContact CZ-CB 4.25Å; F6-A10 WeakPolarHBondContact O-CB 3.44Å; F6-A10 PolarHBondContact O-N 2.82Å; F6-M33 HydrophobicContact CZ-CB 4.42Å; F6-M33 HydrophobicContact CZ-SD 4.48Å; F6-N36 HydrophobicContact CE2-CB 4.39Å; F6-Y37 HydrophobicContact CD2-CD2 4.09Å; F6-Y37 HydrophobicContact CE2-CD2 4.29Å; F6-Y37 HydrophobicContact CE2-CG 4.5Å; F6-L40 HydrophobicContact CB-CD1 4.06Å; F6-L40 HydrophobicContact CD2-CD1 3.74Å; F6-L40 HydrophobicContact CG-CD1 4.4Å
7	R	56.8	Low	56.2	Low	184 Å²	184	111.7 Å²	111.7	69%	0.694	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-69	-24.1	178.3	-129.7	175.4	-175.5	-173.7	-3.2	113.3	T5 V9 E12	T5-R7 PolarHBondContact O-N 3.16Å; T5-R7 VanDerWaalsContact O-N 3.13Å; T5-R7 PolarHBondContact OG1-N 3.42Å; R7-V9 VanDerWaalsContact C-N 3.28Å; R7-E12 IonicContact NE-OE1 3.95Å; R7-E12 PolarHBondContact NE-OE1 3.16Å
8	D	61	Low	56.7	Low	107 Å²	107	109.2 Å²	109.2	57%	0.572	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-79.9	-13.8	179.2	-52.8	-46.3	0	0	0	112.2	V4 T5 F6	V4-D8 HydrophobicContact CG1-CB 4.17Å; T5-D8 WeakPolarHBondContact CA-OD2 3.46Å; T5-D8 WeakPolarHBondContact CB-OD2 3Å; T5-D8 PolarHBondContact N-OD2 2.75Å; T5-D8 WeakPolarHBondContact O-CB 2.97Å; T5-D8 PolarHBondContact O-N 3.11Å; T5-D8 PolarHBondContact OG1-OD2 3.25Å; F6-D8 PolarHBondContact O-N 2.8Å
9	V	59.2	Low	56.9	Low	55 Å²	55	112.9 Å²	112.9	33%	0.333	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.8	4.1	-178.9	-57.8	0	0	0	0	113.4	V4 F6 R7 N36 L40	V4-V9 HydrophobicContact CG1-CG1 3.93Å; F6-V9 HydrophobicContact CD2-CG2 4.33Å; F6-V9 WeakPolarHBondContact O-CG2 3.31Å; F6-V9 PolarHBondContact O-N 3.29Å; R7-V9 VanDerWaalsContact C-N 3.28Å; V9-N36 PolarHBondContact O-ND2 3.06Å; V9-L40 HydrophobicContact CG2-CD1 3.3Å; V9-L40 HydrophobicContact CG2-CG 4.35Å
10	A	63.6	Low	57.5	Low	25 Å²	25	112.7 Å²	112.7	21%	0.207	57%	0.568	C	S	.	*			trans	-94	135.5	174.4	0	0	0	0	0	109.7	F6 M33	F6-A10 HydrophobicContact CD1-CB 4.12Å; F6-A10 HydrophobicContact CE1-CB 3.85Å; F6-A10 HydrophobicContact CZ-CB 4.25Å; F6-A10 WeakPolarHBondContact O-CB 3.44Å; F6-A10 PolarHBondContact O-N 2.82Å; A10-M33 HydrophobicContact CB-SD 4.14Å
11	I	65.1	Low	57.9	Low	107 Å²	107	109 Å²	109	55%	0.549	55%	0.549	S	S	.	.			trans	-95.2	112.5	172.7	-62.6	174.1	0	0	0	106.1	Y29 M33	I11-Y29 HydrophobicContact CB-CE2 4.42Å; I11-Y29 WeakPolarHBondContact O-CE2 3.42Å; I11-Y29 PolarHBondContact O-OH 2.84Å; I11-M33 HydrophobicContact CB-CE 3.99Å; I11-M33 HydrophobicContact CD1-CE 4.4Å; I11-M33 HydrophobicContact CG1-CE 4.15Å
12	E	61.5	Low	59.1	Low	134 Å²	134	101 Å²	101	63%	0.626	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-89.5	126.5	179.2	-66.2	-173.6	-176.8	0	0	110.1	R7	R7-E12 IonicContact NE-OE1 3.95Å; R7-E12 PolarHBondContact NE-OE1 3.16Å
13	F	60.9	Low	60	Low	80 Å²	80	96.2 Å²	96.2	35%	0.351	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-95.1	139.2	167.3	-73	-71	0	0	0	110.3	E17 W18 L21 Y29	F13-E17 HydrophobicContact CB-CB 4.34Å; F13-E17 HydrophobicContact CD1-CB 3.92Å; F13-W18 HydrophobicContact CB-CE3 4.16Å; F13-W18 AromaticContact CD2-CE3 3.99Å; F13-W18 HydrophobicContact CD2-CE3 3.99Å; F13-W18 HydrophobicContact CD2-CZ3 4.12Å; F13-W18 HydrophobicContact CG-CE3 4.38Å; F13-L21 HydrophobicContact CD2-CD1 3.99Å; F13-L21 HydrophobicContact CE1-CD1 4.4Å; F13-L21 HydrophobicContact CE2-CD1 3.82Å; F13-L21 HydrophobicContact CG-CD1 4.34Å; F13-L21 HydrophobicContact CZ-CD1 4.05Å; F13-Y29 AromaticContact CD2-CD2 3.86Å; F13-Y29 HydrophobicContact CD2-CD2 3.86Å; F13-Y29 AromaticContact CD2-CE2 3.67Å; F13-Y29 HydrophobicContact CD2-CE2 3.67Å; F13-Y29 HydrophobicContact CD2-CG 4.43Å; F13-Y29 AromaticContact CE2-CD2 3.46Å; F13-Y29 HydrophobicContact CE2-CD2 3.46Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.46Å; F13-Y29 AromaticContact CE2-CE2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 3.67Å; F13-Y29 HydrophobicContact CE2-CG 4.15Å
14	S	60.2	Low	60	Low	40 Å²	40	91.9 Å²	91.9	28%	0.28	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-67.5	157.8	167.1	64.1	0	0	0	0	111.4	E16 E17 W18	S14-E16 PolarHBondContact O-N 3.19Å; S14-E16 VanDerWaalsContact O-N 3.17Å; S14-E17 WeakPolarHBondContact CB-OE2 3.43Å; S14-E17 PolarHBondContact N-OE2 3.5Å; S14-E17 PolarHBondContact O-N 2.89Å; S14-E17 VanDerWaalsContact O-N 3.16Å; S14-E17 WeakPolarHBondContact OG-CB 3.31Å; S14-E17 WeakPolarHBondContact OG-CG 3.48Å; S14-E17 PolarHBondContact OG-N 3.29Å; S14-E17 PolarHBondContact OG-OE2 3.1Å; S14-W18 PolarHBondContact O-N 3.02Å
15	P	50.6	Low	60.2	Low	91 Å²	91	91.8 Å²	91.8	59%	0.591	48%	0.478	S	S	*	.	H	α-helix	trans	-56.8	-28.5	176.9	-25.4	34.9	0	0	0	114.2	K19	P15-K19 WeakPolarHBondContact O-CG 3.41Å
16	E	52.4	Low	60.1	Low	133 Å²	133	90.5 Å²	90.5	62%	0.621	47%	0.467	S	S	*	.	H	α-helix	trans	-75.3	-44.9	176.7	-63.9	69	-149.2	0	0	111	S14 K19 C20	S14-E16 PolarHBondContact O-N 3.19Å; S14-E16 VanDerWaalsContact O-N 3.17Å; E16-K19 PolarHBondContact O-N 3.33Å; E16-C20 PolarHBondContact O-SG 3.37Å
17	E	54.8	Low	60.2	Low	101 Å²	101	90.5 Å²	90.5	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-67.3	-37	176.9	-69.5	161.6	150.4	0	0	112.2	F13 S14 K19 C20 L21	F13-E17 HydrophobicContact CB-CB 4.34Å; F13-E17 HydrophobicContact CD1-CB 3.92Å; S14-E17 WeakPolarHBondContact CB-OE2 3.43Å; S14-E17 PolarHBondContact N-OE2 3.5Å; S14-E17 PolarHBondContact O-N 2.89Å; S14-E17 VanDerWaalsContact O-N 3.16Å; S14-E17 WeakPolarHBondContact OG-CB 3.31Å; S14-E17 WeakPolarHBondContact OG-CG 3.48Å; S14-E17 PolarHBondContact OG-N 3.29Å; S14-E17 PolarHBondContact OG-OE2 3.1Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 2.8Å; E17-C20 WeakPolarHBondContact O-CB 3.39Å; E17-C20 PolarHBondContact O-N 3.03Å; E17-C20 VanDerWaalsContact O-N 3.08Å; E17-L21 PolarHBondContact O-N 3.44Å
18	W	64.9	Low	60.2	Low	67 Å²	67	87.1 Å²	87.1	25%	0.254	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-34.4	178.5	-173	-93.6	0	0	0	112.7	F13 S14 C20 L21 Q26 Y29	F13-W18 HydrophobicContact CB-CE3 4.16Å; F13-W18 AromaticContact CD2-CE3 3.99Å; F13-W18 HydrophobicContact CD2-CE3 3.99Å; F13-W18 HydrophobicContact CD2-CZ3 4.12Å; F13-W18 HydrophobicContact CG-CE3 4.38Å; S14-W18 PolarHBondContact O-N 3.02Å; W18-C20 VanDerWaalsContact C-N 3.26Å; W18-C20 PolarHBondContact O-N 2.99Å; W18-L21 HydrophobicContact CD2-CD1 4.5Å; W18-L21 HydrophobicContact CE3-CD1 3.86Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.08Å; W18-Q26 HydrophobicContact CD2-CG 4.47Å; W18-Q26 HydrophobicContact CH2-CB 3.97Å; W18-Q26 HydrophobicContact CH2-CG 4.06Å; W18-Q26 HydrophobicContact CZ2-CB 3.73Å; W18-Q26 HydrophobicContact CZ2-CG 3.64Å; W18-Q26 PolarHBondContact O-NE2 3.15Å; W18-Y29 AromaticContact CH2-CD1 3.45Å; W18-Y29 HydrophobicContact CH2-CD1 3.45Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.45Å; W18-Y29 AromaticContact CH2-CE1 3.96Å; W18-Y29 HydrophobicContact CH2-CE1 3.96Å; W18-Y29 HydrophobicContact CH2-CG 4.21Å; W18-Y29 AromaticContact CZ3-CD1 3.27Å; W18-Y29 HydrophobicContact CZ3-CD1 3.27Å; W18-Y29 AromaticContact CZ3-CE1 3.55Å; W18-Y29 HydrophobicContact CZ3-CE1 3.55Å; W18-Y29 AromaticContact CZ3-CG 3.81Å; W18-Y29 HydrophobicContact CZ3-CG 3.81Å
19	K	61.3	Low	60.6	Low	179 Å²	179	84.7 Å²	84.7	78%	0.778	45%	0.45	S	S	*	.	H	α-helix	trans	-71.4	-20.9	176.5	-75.6	178.3	-179.8	178.2	0	113.1	P15 E16 E17	P15-K19 WeakPolarHBondContact O-CG 3.41Å; E16-K19 PolarHBondContact O-N 3.33Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 2.8Å
20	C	68.4	Low	60.6	Low	109 Å²	109	88 Å²	88	74%	0.736	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.7	176.6	-62.8	0	0	0	0	113	E16 E17 W18	E16-C20 PolarHBondContact O-SG 3.37Å; E17-C20 WeakPolarHBondContact O-CB 3.39Å; E17-C20 PolarHBondContact O-N 3.03Å; E17-C20 VanDerWaalsContact O-N 3.08Å; W18-C20 VanDerWaalsContact C-N 3.26Å; W18-C20 PolarHBondContact O-N 2.99Å
21	L	66.5	Low	60.2	Low	35 Å²	35	91.6 Å²	91.6	18%	0.183	47%	0.472	C	S	.	.	S	Bend	trans	-82.3	134.5	176	-62.3	176.6	0	0	0	111	F13 E17 W18 Q25 Q26	F13-L21 HydrophobicContact CD2-CD1 3.99Å; F13-L21 HydrophobicContact CE1-CD1 4.4Å; F13-L21 HydrophobicContact CE2-CD1 3.82Å; F13-L21 HydrophobicContact CG-CD1 4.34Å; F13-L21 HydrophobicContact CZ-CD1 4.05Å; E17-L21 PolarHBondContact O-N 3.44Å; W18-L21 HydrophobicContact CD2-CD1 4.5Å; W18-L21 HydrophobicContact CE3-CD1 3.86Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.08Å; L21-Q25 HydrophobicContact CB-CB 4.21Å; L21-Q25 HydrophobicContact CD2-CB 4.25Å; L21-Q26 HydrophobicContact CB-CG 3.72Å; L21-Q26 HydrophobicContact CD1-CG 4.43Å; L21-Q26 PolarHBondContact O-NE2 3.09Å; L21-Q26 VanDerWaalsContact O-NE2 3.16Å
22	D	69.9	Low	59.9	Low	74 Å²	74	89.3 Å²	89.3	40%	0.396	46%	0.462	S	S	.	.			trans	-71.4	163.5	172.1	75.5	53	0	0	0	111.6	A24 Q25 Q26	D22-A24 PolarHBondContact O-N 2.98Å; D22-A24 VanDerWaalsContact O-N 3.17Å; D22-A24 WeakPolarHBondContact OD1-CA 3.41Å; D22-A24 VanDerWaalsContact OD1-CB 3.31Å; D22-A24 WeakPolarHBondContact OD1-CB 3.22Å; D22-A24 PolarHBondContact OD1-N 3.39Å; D22-Q25 VanDerWaalsContact N-OE1 3.14Å; D22-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; D22-Q25 PolarHBondContact OD1-N 2.79Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.36Å; D22-Q25 PolarHBondContact OD2-OE1 3.14Å; D22-Q26 WeakPolarHBondContact O-CG 3.33Å; D22-Q26 PolarHBondContact O-N 3.41Å
23	P	64.2	Low	60.5	Low	97 Å²	97	83.8 Å²	83.8	63%	0.63	44%	0.437	S	S	*	.	H	α-helix	trans	-59.4	-28.7	-176.8	-25.9	35.5	0	0	0	114.8	N27	P23-N27 VanDerWaalsContact O-CG 3.26Å; P23-N27 PolarHBondContact O-N 3.35Å; P23-N27 PolarHBondContact O-ND2 3.23Å
24	A	53.1	Low	60.2	Low	69 Å²	69	84.1 Å²	84.1	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-75.1	-39.9	177.9	0	0	0	0	0	110.9	D22 N27 L28	D22-A24 PolarHBondContact O-N 2.98Å; D22-A24 VanDerWaalsContact O-N 3.17Å; D22-A24 WeakPolarHBondContact OD1-CA 3.41Å; D22-A24 VanDerWaalsContact OD1-CB 3.31Å; D22-A24 WeakPolarHBondContact OD1-CB 3.22Å; D22-A24 PolarHBondContact OD1-N 3.39Å; A24-N27 PolarHBondContact O-N 2.78Å; A24-L28 WeakPolarHBondContact O-CB 3.2Å; A24-L28 PolarHBondContact O-N 3.22Å
25	Q	55.3	Low	60	Low	91 Å²	91	87.8 Å²	87.8	43%	0.425	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-39.7	174.8	-67.5	173.7	-23.7	0	0	112.3	L21 D22 N27 L28 Y29	L21-Q25 HydrophobicContact CB-CB 4.21Å; L21-Q25 HydrophobicContact CD2-CB 4.25Å; D22-Q25 VanDerWaalsContact N-OE1 3.14Å; D22-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; D22-Q25 PolarHBondContact OD1-N 2.79Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.36Å; D22-Q25 PolarHBondContact OD2-OE1 3.14Å; Q25-N27 VanDerWaalsContact C-N 3.32Å; Q25-N27 PolarHBondContact O-N 3.14Å; Q25-L28 PolarHBondContact O-N 3.4Å; Q25-Y29 WeakPolarHBondContact O-CB 3.42Å; Q25-Y29 PolarHBondContact O-N 3.37Å
26	Q	56.9	Low	60.3	Low	41 Å²	41	85.9 Å²	85.9	19%	0.192	44%	0.439	C	S	.	.	H	α-helix	trans	-64	-37	174.5	-69.4	-178.4	6	0	0	112.4	W18 L21 D22 R30	W18-Q26 HydrophobicContact CD2-CG 4.47Å; W18-Q26 HydrophobicContact CH2-CB 3.97Å; W18-Q26 HydrophobicContact CH2-CG 4.06Å; W18-Q26 HydrophobicContact CZ2-CB 3.73Å; W18-Q26 HydrophobicContact CZ2-CG 3.64Å; W18-Q26 PolarHBondContact O-NE2 3.15Å; L21-Q26 HydrophobicContact CB-CG 3.72Å; L21-Q26 HydrophobicContact CD1-CG 4.43Å; L21-Q26 PolarHBondContact O-NE2 3.09Å; L21-Q26 VanDerWaalsContact O-NE2 3.16Å; D22-Q26 WeakPolarHBondContact O-CG 3.33Å; D22-Q26 PolarHBondContact O-N 3.41Å; Q26-R30 WeakPolarHBondContact O-CG 3.26Å; Q26-R30 PolarHBondContact O-N 3.15Å
27	N	56.8	Low	60.4	Low	82 Å²	82	85.9 Å²	85.9	44%	0.439	44%	0.435	S	S	.	.	H	α-helix	trans	-71	-44.2	175.8	-74.6	-24.3	0	0	0	111.6	P23 A24 Q25 Y29 R30 D31	P23-N27 VanDerWaalsContact O-CG 3.26Å; P23-N27 PolarHBondContact O-N 3.35Å; P23-N27 PolarHBondContact O-ND2 3.23Å; A24-N27 PolarHBondContact O-N 2.78Å; Q25-N27 VanDerWaalsContact C-N 3.32Å; Q25-N27 PolarHBondContact O-N 3.14Å; N27-Y29 VanDerWaalsContact C-N 3.31Å; N27-Y29 PolarHBondContact O-N 2.79Å; N27-R30 WeakPolarHBondContact O-CB 3.48Å; N27-R30 PolarHBondContact O-N 2.94Å; N27-R30 VanDerWaalsContact O-N 3.14Å; N27-R30 PolarHBondContact OD1-NH1 3.03Å; N27-D31 PolarHBondContact O-N 2.84Å
28	L	58.2	Low	60.4	Low	112 Å²	112	88.9 Å²	88.9	59%	0.586	44%	0.442	S	S	*	.	H	α-helix	trans	-58.8	-43.7	175.6	-178.3	63.5	0	0	0	111.5	A24 Q25 R30 D31 V32	A24-L28 WeakPolarHBondContact O-CB 3.2Å; A24-L28 PolarHBondContact O-N 3.22Å; Q25-L28 PolarHBondContact O-N 3.4Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.39Å; L28-D31 PolarHBondContact O-N 3.45Å; L28-V32 HydrophobicContact CD1-CG2 4.28Å; L28-V32 HydrophobicContact CG-CG2 4.46Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.35Å; L28-V32 PolarHBondContact O-N 3.04Å
29	Y	69.4	Low	60.1	Low	57 Å²	57	89.8 Å²	89.8	22%	0.224	45%	0.451	C	S	.	.	H	α-helix	trans	-58.9	-44.8	175	171.5	-92.5	0	0	0	112.3	I11 F13 W18 Q25 N27 D31 V32 M33	I11-Y29 HydrophobicContact CB-CE2 4.42Å; I11-Y29 WeakPolarHBondContact O-CE2 3.42Å; I11-Y29 PolarHBondContact O-OH 2.84Å; F13-Y29 AromaticContact CD2-CD2 3.86Å; F13-Y29 HydrophobicContact CD2-CD2 3.86Å; F13-Y29 AromaticContact CD2-CE2 3.67Å; F13-Y29 HydrophobicContact CD2-CE2 3.67Å; F13-Y29 HydrophobicContact CD2-CG 4.43Å; F13-Y29 AromaticContact CE2-CD2 3.46Å; F13-Y29 HydrophobicContact CE2-CD2 3.46Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.46Å; F13-Y29 AromaticContact CE2-CE2 3.67Å; F13-Y29 HydrophobicContact CE2-CE2 3.67Å; F13-Y29 HydrophobicContact CE2-CG 4.15Å; W18-Y29 AromaticContact CH2-CD1 3.45Å; W18-Y29 HydrophobicContact CH2-CD1 3.45Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.45Å; W18-Y29 AromaticContact CH2-CE1 3.96Å; W18-Y29 HydrophobicContact CH2-CE1 3.96Å; W18-Y29 HydrophobicContact CH2-CG 4.21Å; W18-Y29 AromaticContact CZ3-CD1 3.27Å; W18-Y29 HydrophobicContact CZ3-CD1 3.27Å; W18-Y29 AromaticContact CZ3-CE1 3.55Å; W18-Y29 HydrophobicContact CZ3-CE1 3.55Å; W18-Y29 AromaticContact CZ3-CG 3.81Å; W18-Y29 HydrophobicContact CZ3-CG 3.81Å; Q25-Y29 WeakPolarHBondContact O-CB 3.42Å; Q25-Y29 PolarHBondContact O-N 3.37Å; N27-Y29 VanDerWaalsContact C-N 3.31Å; N27-Y29 PolarHBondContact O-N 2.79Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.11Å; Y29-V32 PolarHBondContact O-N 3.28Å; Y29-M33 HydrophobicContact CD1-CG 4.28Å; Y29-M33 HydrophobicContact CD2-CE 4.26Å; Y29-M33 HydrophobicContact CD2-CG 4.15Å; Y29-M33 HydrophobicContact CE1-CG 3.92Å; Y29-M33 HydrophobicContact CE2-CE 3.9Å; Y29-M33 HydrophobicContact CE2-CG 3.75Å; Y29-M33 HydrophobicContact CE2-SD 4.24Å; Y29-M33 HydrophobicContact CG-CG 4.43Å; Y29-M33 WeakPolarHBondContact O-CB 3.47Å; Y29-M33 VanDerWaalsContact O-CG 3.3Å; Y29-M33 WeakPolarHBondContact O-CG 3.36Å; Y29-M33 PolarHBondContact O-N 3.06Å
30	R	58.6	Low	59.8	Low	125 Å²	125	82.9 Å²	82.9	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-42.8	177.3	-74.6	173.7	-176.9	150.5	1.9	111.6	Q26 N27 L28 L34	Q26-R30 WeakPolarHBondContact O-CG 3.26Å; Q26-R30 PolarHBondContact O-N 3.15Å; N27-R30 WeakPolarHBondContact O-CB 3.48Å; N27-R30 PolarHBondContact O-N 2.94Å; N27-R30 VanDerWaalsContact O-N 3.14Å; N27-R30 PolarHBondContact OD1-NH1 3.03Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.39Å; R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.25Å; R30-L34 WeakPolarHBondContact O-CD1 3.33Å; R30-L34 WeakPolarHBondContact O-CG 3.49Å; R30-L34 PolarHBondContact O-N 3.2Å
31	D	55.8	Low	59	Low	100 Å²	100	80.3 Å²	80.3	54%	0.535	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-44.4	180	-71.9	-20	0	0	0	111.6	N27 L28 Y29 L34 E35	N27-D31 PolarHBondContact O-N 2.84Å; L28-D31 PolarHBondContact O-N 3.45Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.11Å; D31-L34 WeakPolarHBondContact O-CB 3.5Å; D31-L34 PolarHBondContact O-N 3.13Å; D31-E35 WeakPolarHBondContact O-CB 3.44Å; D31-E35 PolarHBondContact O-N 2.95Å
32	V	59.2	Low	58.3	Low	58 Å²	58	82 Å²	82	35%	0.352	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-42.9	177.9	174.1	0	0	0	0	111.6	L28 Y29 L34 E35 N36	L28-V32 HydrophobicContact CD1-CG2 4.28Å; L28-V32 HydrophobicContact CG-CG2 4.46Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.35Å; L28-V32 PolarHBondContact O-N 3.04Å; Y29-V32 PolarHBondContact O-N 3.28Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.13Å; V32-E35 PolarHBondContact O-N 2.88Å; V32-N36 PolarHBondContact O-N 3.37Å
33	M	73.3	Confident	57.4	Low	18 Å²	18	84.9 Å²	84.9	9%	0.089	43%	0.433	C	S	.	.	H	α-helix	trans	-66.8	-35.8	177.2	-68.7	-59.3	128.4	0	0	112.2	F6 A10 I11 Y29 Y37	F6-M33 HydrophobicContact CZ-CB 4.42Å; F6-M33 HydrophobicContact CZ-SD 4.48Å; A10-M33 HydrophobicContact CB-SD 4.14Å; I11-M33 HydrophobicContact CB-CE 3.99Å; I11-M33 HydrophobicContact CD1-CE 4.4Å; I11-M33 HydrophobicContact CG1-CE 4.15Å; Y29-M33 HydrophobicContact CD1-CG 4.28Å; Y29-M33 HydrophobicContact CD2-CE 4.26Å; Y29-M33 HydrophobicContact CD2-CG 4.15Å; Y29-M33 HydrophobicContact CE1-CG 3.92Å; Y29-M33 HydrophobicContact CE2-CE 3.9Å; Y29-M33 HydrophobicContact CE2-CG 3.75Å; Y29-M33 HydrophobicContact CE2-SD 4.24Å; Y29-M33 HydrophobicContact CG-CG 4.43Å; Y29-M33 WeakPolarHBondContact O-CB 3.47Å; Y29-M33 VanDerWaalsContact O-CG 3.3Å; Y29-M33 WeakPolarHBondContact O-CG 3.36Å; Y29-M33 PolarHBondContact O-N 3.06Å; M33-Y37 WeakPolarHBondContact O-CB 3.48Å; M33-Y37 PolarHBondContact O-N 3.31Å
34	L	54.3	Low	56.6	Low	87 Å²	87	83.5 Å²	83.5	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-65	-39.3	172.5	-85.9	161.8	0	0	0	112.1	R30 D31 V32 R38	R30-L34 VanDerWaalsContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CB 3.25Å; R30-L34 WeakPolarHBondContact O-CD1 3.33Å; R30-L34 WeakPolarHBondContact O-CG 3.49Å; R30-L34 PolarHBondContact O-N 3.2Å; D31-L34 WeakPolarHBondContact O-CB 3.5Å; D31-L34 PolarHBondContact O-N 3.13Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.13Å; L34-R38 VanDerWaalsContact O-CG 3.28Å; L34-R38 WeakPolarHBondContact O-CG 3.16Å; L34-R38 PolarHBondContact O-N 3.15Å
35	E	56.6	Low	56.1	Low	117 Å²	117	86.4 Å²	86.4	55%	0.547	44%	0.435	S	S	.	.	H	α-helix	trans	-69.2	-43.7	177.1	-170.8	156.9	-155.1	0	0	111.8	D31 V32 Y37 R38 N39	D31-E35 WeakPolarHBondContact O-CB 3.44Å; D31-E35 PolarHBondContact O-N 2.95Å; V32-E35 PolarHBondContact O-N 2.88Å; E35-Y37 VanDerWaalsContact C-N 3.31Å; E35-Y37 PolarHBondContact O-N 3.06Å; E35-R38 PolarHBondContact O-N 3.29Å; E35-R38 VanDerWaalsContact O-N 3.15Å; E35-N39 PolarHBondContact O-N 3.07Å; E35-N39 PolarHBondContact O-ND2 3.38Å
36	N	56	Low	55.1	Low	51 Å²	51	87.7 Å²	87.7	27%	0.273	45%	0.452	S	S	.	.	H	α-helix	trans	-58.7	-41.8	173.3	-74.8	-2.4	0	0	0	111.9	F6 V9 V32 N39 L40	F6-N36 HydrophobicContact CE2-CB 4.39Å; V9-N36 PolarHBondContact O-ND2 3.06Å; V32-N36 PolarHBondContact O-N 3.37Å; N36-N39 PolarHBondContact O-N 3.17Å; N36-L40 PolarHBondContact O-N 3.09Å
37	Y	54.9	Low	54	Low	133 Å²	133	89.1 Å²	89.1	52%	0.522	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-44.5	175.2	-179.8	-100	0	0	0	112	F6 M33 E35 N39 L40 V41	F6-Y37 HydrophobicContact CD2-CD2 4.09Å; F6-Y37 HydrophobicContact CE2-CD2 4.29Å; F6-Y37 HydrophobicContact CE2-CG 4.5Å; M33-Y37 WeakPolarHBondContact O-CB 3.48Å; M33-Y37 PolarHBondContact O-N 3.31Å; E35-Y37 VanDerWaalsContact C-N 3.31Å; E35-Y37 PolarHBondContact O-N 3.06Å; Y37-N39 VanDerWaalsContact C-N 3.31Å; Y37-N39 PolarHBondContact O-N 2.9Å; Y37-L40 PolarHBondContact O-N 2.82Å; Y37-V41 HydrophobicContact CD1-CG2 4.22Å; Y37-V41 HydrophobicContact CE1-CG2 3.81Å; Y37-V41 HydrophobicContact CE2-CG2 4.17Å; Y37-V41 VanDerWaalsContact O-CG2 3.29Å; Y37-V41 WeakPolarHBondContact O-CG2 3.5Å; Y37-V41 PolarHBondContact O-N 3.22Å
38	R	54.7	Low	52.8	Low	165 Å²	165	90.9 Å²	90.9	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-62.7	-38.4	177.2	-74.6	171.8	-177.7	175	5	112.2	L34 E35 S42	L34-R38 VanDerWaalsContact O-CG 3.28Å; L34-R38 WeakPolarHBondContact O-CG 3.16Å; L34-R38 PolarHBondContact O-N 3.15Å; E35-R38 PolarHBondContact O-N 3.29Å; E35-R38 VanDerWaalsContact O-N 3.15Å; R38-S42 WeakPolarHBondContact O-CB 3.39Å; R38-S42 PolarHBondContact O-N 2.93Å; R38-S42 PolarHBondContact O-OG 2.95Å
39	N	58.6	Low	51.5	Low	85 Å²	85	94.3 Å²	94.3	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-67.8	-44.2	177.8	-71.2	-25.9	0	0	0	111.3	E35 N36 Y37 V41 S42 L43	E35-N39 PolarHBondContact O-N 3.07Å; E35-N39 PolarHBondContact O-ND2 3.38Å; N36-N39 PolarHBondContact O-N 3.17Å; Y37-N39 VanDerWaalsContact C-N 3.31Å; Y37-N39 PolarHBondContact O-N 2.9Å; N39-V41 PolarHBondContact O-N 3.43Å; N39-S42 PolarHBondContact O-N 3.37Å; N39-L43 WeakPolarHBondContact O-CG 3.36Å; N39-L43 PolarHBondContact O-N 3.2Å
40	L	55.7	Low	49.7	Very low	34 Å²	34	96.4 Å²	96.4	18%	0.178	52%	0.516	C	S	.	.	H	α-helix	trans	-59.9	-44.3	173.6	-94.4	160.9	0	0	0	113	V4 F6 V9 N36 Y37 S42 L43 A44	V4-L40 HydrophobicContact CG1-CD2 4.35Å; V4-L40 WeakPolarHBondContact O-CD2 3.19Å; F6-L40 HydrophobicContact CB-CD1 4.06Å; F6-L40 HydrophobicContact CD2-CD1 3.74Å; F6-L40 HydrophobicContact CG-CD1 4.4Å; V9-L40 HydrophobicContact CG2-CD1 3.3Å; V9-L40 HydrophobicContact CG2-CG 4.35Å; N36-L40 PolarHBondContact O-N 3.09Å; Y37-L40 PolarHBondContact O-N 2.82Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 2.78Å; L40-L43 PolarHBondContact O-N 2.88Å; L40-A44 PolarHBondContact O-N 3.41Å
41	V	51.5	Low	48.7	Very low	56 Å²	56	99.6 Å²	99.6	34%	0.339	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-37.5	176.1	171.7	0	0	0	0	111	Y37 N39 A44 I45	Y37-V41 HydrophobicContact CD1-CG2 4.22Å; Y37-V41 HydrophobicContact CE1-CG2 3.81Å; Y37-V41 HydrophobicContact CE2-CG2 4.17Å; Y37-V41 VanDerWaalsContact O-CG2 3.29Å; Y37-V41 WeakPolarHBondContact O-CG2 3.5Å; Y37-V41 PolarHBondContact O-N 3.22Å; N39-V41 PolarHBondContact O-N 3.43Å; V41-A44 PolarHBondContact O-N 2.81Å; V41-I45 HydrophobicContact CG1-CD1 3.83Å; V41-I45 WeakPolarHBondContact O-CD1 3.46Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 2.84Å
42	S	51.5	Low	47.6	Very low	70 Å²	70	101.9 Å²	101.9	49%	0.49	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-37.3	176.9	-59.5	0	0	0	0	112.3	R38 N39 L40 I45	R38-S42 WeakPolarHBondContact O-CB 3.39Å; R38-S42 PolarHBondContact O-N 2.93Å; R38-S42 PolarHBondContact O-OG 2.95Å; N39-S42 PolarHBondContact O-N 3.37Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 2.78Å; S42-I45 PolarHBondContact O-N 3.09Å
43	L	52	Low	46.2	Very low	135 Å²	135	107.8 Å²	107.8	71%	0.707	58%	0.577	S	S	*	*	H	α-helix	trans	-66.8	-36	173.7	-69.7	169.6	0	0	0	112	N39 L40 I45 C46	N39-L43 WeakPolarHBondContact O-CG 3.36Å; N39-L43 PolarHBondContact O-N 3.2Å; L40-L43 PolarHBondContact O-N 2.88Å; L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 3Å; L43-C46 PolarHBondContact O-N 3.11Å
44	A	46.8	Very low	44.1	Very low	67 Å²	67	112 Å²	112	55%	0.554	61%	0.608	S	S	*	*	H	α-helix	trans	-69.1	-26.4	175.9	0	0	0	0	0	113.6	L40 V41 C46	L40-A44 PolarHBondContact O-N 3.41Å; V41-A44 PolarHBondContact O-N 2.81Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.17Å
45	I	42.3	Very low	43.3	Very low	131 Å²	131	113 Å²	113	67%	0.672	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-11.9	-179.8	-68.2	163.6	0	0	0	112.5	V41 S42 L43	V41-I45 HydrophobicContact CG1-CD1 3.83Å; V41-I45 WeakPolarHBondContact O-CD1 3.46Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 2.84Å; S42-I45 PolarHBondContact O-N 3.09Å; L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 3Å
46	C	33.8	Very low	41.9	Very low	118 Å²	118	113.9 Å²	113.9	80%	0.797	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	8.4	179	-87	0	0	0	0	115.5	L43 A44	L43-C46 PolarHBondContact O-N 3.11Å; A44-C46 VanDerWaalsContact C-N 3.3Å; A44-C46 PolarHBondContact O-N 3.17Å
47	S	33.3	Very low	40.8	Very low	71 Å²	71	118.1 Å²	118.1	50%	0.497	65%	0.651	S	S	.	*			trans	-109.1	129.5	174.5	-173.5	0	0	0	0	112	F49	S47-F49 VanDerWaalsContact C-N 3.25Å; S47-F49 PolarHBondContact O-N 3.44Å
48	P	32.2	Very low	40.5	Very low	119 Å²	119	115.3 Å²	115.3	77%	0.773	66%	0.662	S	S	*	*	S	Bend	trans	-78.8	2.1	-176	0.3	15.1	0	0	0	115
49	F	32.1	Very low	39.4	Very low	184 Å²	184	111.8 Å²	111.8	81%	0.807	66%	0.655	S	S	*	*			trans	-126.9	90.5	-176.2	-77.9	-87.7	0	0	0	111.4	S47	S47-F49 VanDerWaalsContact C-N 3.25Å; S47-F49 PolarHBondContact O-N 3.44Å
50	S	29.9	Very low	38.2	Very low	101 Å²	101	116.1 Å²	116.1	71%	0.706	67%	0.673	S	S	*	*			trans	-171.3	86.5	150.1	24.4	0	0	0	0	109.5	D52	S50-D52 PolarHBondContact O-N 3.24Å
51	Q	38.3	Very low	37.2	Very low	192 Å²	192	121.6 Å²	121.6	90%	0.897	70%	0.702	S	S	*	*			trans	-79.5	94.6	153.4	-81.2	172.7	-26.2	0	0	106.9
52	D	32.7	Very low	36.4	Very low	147 Å²	147	123.1 Å²	123.1	79%	0.786	72%	0.715	S	S	*	*			trans	157.1	110.2	149.7	-90.8	-22.6	0	0	0	107.4	S50	S50-D52 PolarHBondContact O-N 3.24Å
53	L	29	Very low	35.4	Very low	182 Å²	182	126.2 Å²	126.2	95%	0.953	72%	0.72	S	S	*	*			trans	175.1	115.8	146.8	-91.9	161.7	0	0	0	108.3
54	S	29.8	Very low	34.4	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	72%	0.719	S	S	*	*			trans	-151.2	154.2	172.5	176.6	0	0	0	0	106.5
55	P	37	Very low	34	Very low	109 Å²	109	132.1 Å²	132.1	71%	0.708	73%	0.73	S	S	*	*				-116.6	108.5	-70.8	28.8	-9.5	0	0	0	107.7	Q57	P55-Q57 PolarHBondContact O-N 2.8Å
56	V	28.4	Very low	33.5	Very low	135 Å²	135	132.5 Å²	132.5	82%	0.818	73%	0.733	S	S	*	*			trans	-89.4	113.1	-178.8	-178.7	0	0	0	0	109.9
57	Q	32.4	Very low	33.2	Very low	141 Å²	141	132.1 Å²	132.1	66%	0.659	72%	0.721	S	S	*	*			trans	65.1	87.5	161.9	-122.2	74.9	4.6	0	0	116.9	P55 I59	P55-Q57 PolarHBondContact O-N 2.8Å; Q57-I59 HydrophobicContact CG-CB 4.49Å; Q57-I59 HydrophobicContact CG-CD1 4.27Å
58	G	47.7	Very low	33.1	Very low	73 Å²	73	134.6 Å²	134.6	75%	0.753	73%	0.728	S	S	*	*			trans	-65.3	129.1	131.7	0	0	0	0	0	107.9
59	I	32.3	Very low	32.9	Very low	92 Å²	92	138.2 Å²	138.2	47%	0.472	73%	0.732	S	S	.	*			trans	169.9	94.5	157.1	-83.6	145.2	0	0	0	104.8	Q57 F63	Q57-I59 HydrophobicContact CG-CB 4.49Å; Q57-I59 HydrophobicContact CG-CD1 4.27Å; I59-F63 HydrophobicContact CG1-CD2 4.34Å; I59-F63 HydrophobicContact CG1-CE2 4.35Å; I59-F63 HydrophobicContact CG2-CD2 3.71Å; I59-F63 HydrophobicContact CG2-CE2 4.1Å
60	E	33.2	Very low	32.9	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	-154.8	-34	145.6	-111.5	168.5	-166.4	0	0	108.7
61	D	35	Very low	32.8	Very low	149 Å²	149	143 Å²	143	80%	0.797	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-3.7	-179.4	-104.4	7.2	0	0	0	117
62	S	35.2	Very low	32.3	Very low	89 Å²	89	143 Å²	143	62%	0.622	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-6.5	171.4	-81.5	0	0	0	0	114.4
63	F	30	Very low	32.2	Very low	134 Å²	134	144.7 Å²	144.7	59%	0.588	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-31.9	176.7	-108.2	-93.7	0	0	0	112.6	I59	I59-F63 HydrophobicContact CG1-CD2 4.34Å; I59-F63 HydrophobicContact CG1-CE2 4.35Å; I59-F63 HydrophobicContact CG2-CD2 3.71Å; I59-F63 HydrophobicContact CG2-CE2 4.1Å
64	H	31.3	Very low	32	Very low	148 Å²	148	141.9 Å²	141.9	69%	0.685	73%	0.725	S	S	*	*	H	α-helix	trans	-73.4	-30.3	176.6	-107.9	77.5	0	0	0	113.8
65	K	37.7	Very low	31.8	Very low	178 Å²	178	140.2 Å²	140.2	77%	0.774	72%	0.724	S	S	*	*	H	α-helix	trans	-83.8	-13.9	-179.1	-91.8	178.6	176.9	169.7	0	115.2
66	L	31.3	Very low	31.3	Very low	140 Å²	140	142.7 Å²	142.7	73%	0.733	73%	0.726	S	S	*	*	H	α-helix	trans	-99.8	-14.1	-179.2	-109.1	153.1	0	0	0	114.2
67	I	29.1	Very low	31.2	Very low	109 Å²	109	143.1 Å²	143.1	56%	0.559	72%	0.719	S	S	*	*	H	α-helix	trans	-90.6	-33.7	170.7	-65.8	-174.4	0	0	0	111.5	K69 R70	I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.43Å; I67-R70 PolarHBondContact O-N 3.38Å
68	L	29.6	Very low	30.8	Very low	123 Å²	123	142.1 Å²	142.1	64%	0.644	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-6	179.1	-79.3	170.9	0	0	0	115.5
69	K	29.6	Very low	29.6	Very low	196 Å²	196	145.1 Å²	145.1	85%	0.852	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	5.5	170.1	-122.7	-178.1	-176.4	-177	0	114.1	I67	I67-K69 VanDerWaalsContact C-N 3.29Å; I67-K69 PolarHBondContact O-N 3.43Å
70	R	31.1	Very low	29.2	Very low	217 Å²	217	147.9 Å²	147.9	82%	0.819	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	-3	174.5	-143	176.8	-145.1	-178.6	4.9	115.1	I67	I67-R70 PolarHBondContact O-N 3.38Å
71	Y	28.4	Very low	28.7	Very low	168 Å²	168	146.2 Å²	146.2	66%	0.659	72%	0.723	S	S	*	*			trans	-133.3	56.9	175.4	-78.2	-83.9	0	0	0	112.3
72	E	27.3	Very low	28	Very low	193 Å²	193	149.5 Å²	149.5	90%	0.902	73%	0.725	S	S	*	*	S	Bend	trans	-89.2	27.7	154.3	-122.1	177.2	-162.8	0	0	111
73	K	31.7	Very low	27.4	Very low	181 Å²	181	155 Å²	155	79%	0.787	74%	0.738	S	S	*	*	S	Bend	trans	-142.7	123.6	163.2	-79.4	-168	174.1	-179.1	0	109.5
74	C	24	Very low	27.1	Very low	123 Å²	123	152.4 Å²	152.4	83%	0.831	75%	0.748	S	S	*	*			trans	82.6	89.9	-178.7	-73.4	0	0	0	0	117.5
75	G	25.7	Very low	26.7	Very low	71 Å²	71	150.7 Å²	150.7	73%	0.732	75%	0.752	S	S	*	*				45.9	124.2	108.3	0	0	0	0	0	121.4
76	H	25.9	Very low	26	Very low	162 Å²	162	151.1 Å²	151.1	75%	0.75	75%	0.753	S	S	*	*			trans	71.2	117.7	149.4	-82.3	-91.2	0	0	0	121.4
77	E	25.8	Very low	25.6	Very low	144 Å²	144	155.8 Å²	155.8	67%	0.673	76%	0.761	S	S	*	*				71.3	135.1	124	-79.8	178	-151.1	0	0	123.7
78	N	24.5	Very low	25.3	Very low	120 Å²	120	155.5 Å²	155.5	64%	0.642	76%	0.764	S	S	*	*			trans	85.1	113.4	148.7	-66.1	-39.9	0	0	0	120.3
79	L	23.5	Very low	25.2	Very low	136 Å²	136	156.3 Å²	156.3	71%	0.712	77%	0.77	S	S	*	*				51.4	140.9	124.4	-85.7	99.7	0	0	0	118.7
80	Q	23	Very low	24.8	Very low	149 Å²	149	156.4 Å²	156.4	70%	0.696	77%	0.773	S	S	*	*			cis	-176.9	176.4	3.8	-132.3	-159.4	49.1	0	0	108.9
81	L	22.1	Very low	24.4	Very low	140 Å²	140	151.6 Å²	151.6	73%	0.733	77%	0.771	S	S	*	*			trans	97.8	101.7	151.9	-69.4	152.4	0	0	0	121.9
82	R	20.7	Very low	24.1	Very low	219 Å²	219	152.3 Å²	152.3	83%	0.826	78%	0.778	S	S	*	*				43.2	110.1	108	-156.9	174.8	-162.5	-159.3	4.7	120.4
83	K	23.7	Very low	23.9	Very low	205 Å²	205	149.3 Å²	149.3	89%	0.891	77%	0.772	S	S	*	*				26.7	131.1	128.3	-64.5	179.3	176.4	176.4	0	120.4
84	G	23.3	Very low	23.5	Very low	79 Å²	79	147.9 Å²	147.9	81%	0.814	77%	0.768	S	S	*	*			trans	177	116.2	149.2	0	0	0	0	0	116
85	C	22.1	Very low	23.6	Very low	112 Å²	112	151.5 Å²	151.5	76%	0.757	77%	0.77	S	S	*	*			trans	-1.4	129.8	165.2	-90.6	0	0	0	0	120.5
86	K	22.8	Very low	23.5	Very low	186 Å²	186	151.4 Å²	151.4	81%	0.809	77%	0.769	S	S	*	*				73.6	105.2	74.1	-71.8	-175.3	-176	176.3	0	114.8
87	R	24.6	Very low	23.5	Very low	238 Å²	238	150.5 Å²	150.5	90%	0.898	77%	0.774	S	S	*	*			trans	66.3	153.1	145.2	-67.4	-165	165.3	-175.2	-3.9	116.7
88	V	22.5	Very low	23.5	Very low	103 Å²	103	151.3 Å²	151.3	62%	0.624	78%	0.783	S	S	*	*			cis	-160	137.3	-10.8	133.9	0	0	0	0	103.8
89	N	26.2	Very low	23.5	Very low	141 Å²	141	153.2 Å²	153.2	75%	0.754	79%	0.794	S	S	*	*			trans	36.9	122.1	156.4	-56.8	-17.9	0	0	0	118.7
90	E	21.8	Very low	23.6	Very low	198 Å²	198	150.3 Å²	150.3	93%	0.925	80%	0.796	S	S	*	*				-160.6	146.3	102.3	-109.3	169.6	-173.8	0	0	112.2
91	C	22.2	Very low	23.9	Very low	115 Å²	115	149.4 Å²	149.4	78%	0.777	80%	0.801	S	S	*	*			trans	-87.6	135	-174.8	-165.5	0	0	0	0	108.6
92	K	23.5	Very low	24	Very low	184 Å²	184	152.7 Å²	152.7	80%	0.8	81%	0.805	S	S	*	*				151.2	155.5	119.8	-82.1	175.7	175.5	175.3	0	113.4
93	V	22.9	Very low	24.1	Very low	129 Å²	129	150.6 Å²	150.6	78%	0.782	80%	0.804	S	S	*	*			trans	83.6	138.8	156.2	-160.7	0	0	0	0	114.9
94	Q	22.9	Very low	24	Very low	152 Å²	152	146 Å²	146	71%	0.71	80%	0.797	S	S	*	*			cis	-169.8	141.2	-36.8	-167.5	129.9	-9.9	0	0	105
95	K	25.9	Very low	24	Very low	199 Å²	199	149 Å²	149	87%	0.865	79%	0.793	S	S	*	*			trans	68.1	121.7	158.7	-77.1	170.1	179	-177.7	0	119.4
96	G	23.3	Very low	24.1	Very low	68 Å²	68	149.2 Å²	149.2	70%	0.701	80%	0.796	S	S	*	*			trans	169.2	87.5	159.1	0	0	0	0	0	112.5
97	V	26.7	Very low	24.1	Very low	143 Å²	143	145.9 Å²	145.9	87%	0.867	79%	0.792	S	S	*	*			trans	39.4	99.5	154.7	-166.1	0	0	0	0	117.6
98	N	24.5	Very low	24.2	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	79%	0.787	S	S	*	*			trans	-137.7	102	158.2	-106.5	-21.4	0	0	0	108.6
99	N	24.3	Very low	24.7	Very low	161 Å²	161	144.7 Å²	144.7	86%	0.861	80%	0.798	S	S	*	*			trans	-140	101.7	162.8	-104.5	-9.6	0	0	0	108.8
100	G	25.8	Very low	25.1	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	79%	0.785	S	S	*	*			trans	-167.6	41.1	176.3	0	0	0	0	0	108.7
101	V	31	Very low	25.8	Very low	131 Å²	131	138.6 Å²	138.6	79%	0.794	77%	0.771	S	S	*	*			trans	-124.3	82.1	170.8	-179.9	0	0	0	0	106.9
102	Y	23.2	Very low	26.6	Very low	208 Å²	208	138.6 Å²	138.6	82%	0.816	76%	0.761	S	S	*	*			trans	-159.8	124.6	163.5	-82.9	-76.4	0	0	0	101.8
103	Q	23.8	Very low	27.6	Very low	176 Å²	176	132 Å²	132	82%	0.822	73%	0.733	S	S	*	*			cis	-165	138.2	42.1	-99.7	148.9	-36.1	0	0	103.6
104	C	21.3	Very low	28.3	Very low	108 Å²	108	130.1 Å²	130.1	73%	0.73	72%	0.716	S	S	*	*	S	Bend	cis	-173.8	145.3	46.7	-100.6	0	0	0	0	103.6
105	L	22.8	Very low	29.3	Very low	141 Å²	141	122.9 Å²	122.9	74%	0.738	68%	0.682	S	S	*	*			cis	-156.1	129	12.4	-104.4	142.5	0	0	0	106	T107	L105-T107 PolarHBondContact O-N 3.1Å
106	S	24.1	Very low	30	Very low	118 Å²	118	119.5 Å²	119.5	83%	0.825	67%	0.673	S	S	*	*			trans	-55.5	123.3	148.5	37.4	0	0	0	0	109.6
107	T	23.2	Very low	31	Very low	116 Å²	116	121 Å²	121	71%	0.712	67%	0.669	S	S	*	*			trans	-147.6	120.1	153.3	-22.7	0	0	0	0	108.5	L105	L105-T107 PolarHBondContact O-N 3.1Å
108	T	27.1	Very low	31.8	Very low	129 Å²	129	116.8 Å²	116.8	79%	0.791	65%	0.645	S	S	*	*			trans	59.6	93.7	177.1	42.2	0	0	0	0	116.4	S110	T108-S110 PolarHBondContact O-N 3.49Å
109	Q	31.7	Very low	32.8	Very low	186 Å²	186	113.8 Å²	113.8	87%	0.869	63%	0.632	S	S	*	*			trans	-60	70.8	161.2	-165.4	179.1	28.6	0	0	110.8	K111	Q109-K111 PolarHBondContact O-N 3Å; Q109-K111 VanDerWaalsContact O-N 3.15Å
110	S	34	Very low	33.5	Very low	67 Å²	67	111.8 Å²	111.8	47%	0.469	62%	0.616	S	S	.	*			trans	-71.6	103.5	157.3	55	0	0	0	0	105.8	T108 I112	T108-S110 PolarHBondContact O-N 3.49Å; S110-I112 WeakPolarHBondContact O-CG1 3.49Å; S110-I112 PolarHBondContact O-N 3.34Å
111	K	37.5	Very low	34.1	Very low	145 Å²	145	112.6 Å²	112.6	63%	0.63	61%	0.606	S	S	*	*			trans	-49.4	112.3	169.6	-83.3	178.8	176.9	173.7	0	107.3	Q109 F113	Q109-K111 PolarHBondContact O-N 3Å; Q109-K111 VanDerWaalsContact O-N 3.15Å; K111-F113 HydrophobicContact CB-CD2 4.32Å; K111-F113 HydrophobicContact CB-CE1 4.03Å; K111-F113 HydrophobicContact CB-CE2 3.47Å; K111-F113 VanDerWaalsContact CB-CE2 3.47Å; K111-F113 HydrophobicContact CB-CZ 3.3Å; K111-F113 HydrophobicContact CD-CE1 4.39Å; K111-F113 HydrophobicContact CD-CZ 3.89Å; K111-F113 HydrophobicContact CG-CZ 4.2Å; K111-F113 WeakPolarHBondContact O-CD2 3.46Å; K111-F113 WeakPolarHBondContact O-CE2 3.41Å
112	I	39.1	Very low	34.8	Very low	114 Å²	114	108.3 Å²	108.3	59%	0.585	58%	0.577	S	S	*	*			trans	-83.2	118.4	178.7	-72.3	176.2	0	0	0	106.7	S110 V121	S110-I112 WeakPolarHBondContact O-CG1 3.49Å; S110-I112 PolarHBondContact O-N 3.34Å; I112-V121 HydrophobicContact CB-CG1 4.44Å; I112-V121 HydrophobicContact CG2-CB 4.48Å; I112-V121 HydrophobicContact CG2-CG1 3.12Å
113	F	43.5	Very low	35.5	Very low	47 Å²	47	102.3 Å²	102.3	21%	0.206	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	110.4	-178.4	-59.7	-79.1	0	0	0	109.3	K111 F122 F125 S128	K111-F113 HydrophobicContact CB-CD2 4.32Å; K111-F113 HydrophobicContact CB-CE1 4.03Å; K111-F113 HydrophobicContact CB-CE2 3.47Å; K111-F113 VanDerWaalsContact CB-CE2 3.47Å; K111-F113 HydrophobicContact CB-CZ 3.3Å; K111-F113 HydrophobicContact CD-CE1 4.39Å; K111-F113 HydrophobicContact CD-CZ 3.89Å; K111-F113 HydrophobicContact CG-CZ 4.2Å; K111-F113 WeakPolarHBondContact O-CD2 3.46Å; K111-F113 WeakPolarHBondContact O-CE2 3.41Å; F113-F122 HydrophobicContact CB-CB 4.44Å; F113-F122 PolarHBondContact N-O 3.25Å; F113-F122 WeakPolarHBondContact O-CB 3.36Å; F113-F122 WeakPolarHBondContact O-CD2 3.4Å; F113-F122 PolarHBondContact O-N 3.09Å; F113-F125 HydrophobicContact CD1-CB 4.04Å; F113-F125 AromaticContact CD1-CD2 3.42Å; F113-F125 HydrophobicContact CD1-CD2 3.42Å; F113-F125 VanDerWaalsContact CD1-CD2 3.42Å; F113-F125 HydrophobicContact CD1-CE2 4.35Å; F113-F125 HydrophobicContact CD1-CG 4.19Å; F113-F125 HydrophobicContact CD2-CB 3.96Å; F113-F125 HydrophobicContact CE1-CB 3.67Å; F113-F125 AromaticContact CE1-CD2 3.44Å; F113-F125 HydrophobicContact CE1-CD2 3.44Å; F113-F125 VanDerWaalsContact CE1-CD2 3.44Å; F113-F125 HydrophobicContact CE1-CE2 4.42Å; F113-F125 AromaticContact CE1-CG 3.92Å; F113-F125 HydrophobicContact CE1-CG 3.92Å; F113-F125 HydrophobicContact CE2-CB 3.61Å; F113-F125 HydrophobicContact CG-CB 4.13Å; F113-F125 HydrophobicContact CG-CD2 4.09Å; F113-F125 HydrophobicContact CZ-CB 3.45Å; F113-F125 VanDerWaalsContact CZ-CB 3.45Å; F113-F125 HydrophobicContact CZ-CD2 4.16Å; F113-F125 HydrophobicContact CZ-CG 4.19Å; F113-S128 WeakPolarHBondContact CB-OG 3.1Å; F113-S128 PolarHBondContact O-OG 2.77Å
114	Q	37.7	Very low	36.5	Very low	88 Å²	88	100.3 Å²	100.3	41%	0.411	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	139.8	-176.6	-169	170.8	-12.3	0	0	111.3	K120 V121 K132	Q114-K120 WeakPolarHBondContact CA-O 3.49Å; Q114-V121 HydrophobicContact CG-CG2 4.49Å; Q114-K132 WeakPolarHBondContact O-CE 3.48Å; Q114-K132 PolarHBondContact O-NZ 3Å
115	C	44.4	Very low	37.5	Very low	0 Å²	0	100.9 Å²	100.9	0%	0	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.2	166.8	175.7	0	0	0	0	109.2	T117 V119 K120 F122 H131 K132 H135	C115-T117 VanDerWaalsContact C-N 3.26Å; C115-T117 PolarHBondContact O-N 3.39Å; C115-V119 WeakPolarHBondContact O-CA 3.21Å; C115-V119 PolarHBondContact O-N 2.9Å; C115-K120 PolarHBondContact N-O 3.22Å; C115-K120 PolarHBondContact O-N 3.13Å; C115-F122 HydrophobicContact CB-CE2 4.25Å; C115-H131 WeakPolarHBondContact CB-CD2 3.31Å; C115-H131 VanDerWaalsContact SG-CD2 3.54Å; C115-H131 PolarHBondContact SG-NE2 3.12Å; C115-K132 HydrophobicContact CB-CG 4.22Å; C115-H135 PolarHBondContact SG-CD2 3.41Å; C115-H135 PolarHBondContact SG-NE2 3.31Å
116	N	41.4	Very low	38.6	Very low	129 Å²	129	97.1 Å²	97.1	69%	0.69	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.2	-173.1	-61.2	-7.9	0	0	0	112.8
117	T	44.5	Very low	39.8	Very low	100 Å²	100	94.8 Å²	94.8	61%	0.613	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.6	178.5	-33.9	0	0	0	0	113.1	C115 H135	C115-T117 VanDerWaalsContact C-N 3.26Å; C115-T117 PolarHBondContact O-N 3.39Å; T117-H135 HydrophobicContact CG2-CB 4.19Å
118	C	43.3	Very low	40.9	Very low	53 Å²	53	89.3 Å²	89.3	36%	0.358	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	17.2	175.3	75.8	0	0	0	0	114.1	K120 H131 H135	C118-K120 PolarHBondContact O-N 3.09Å; C118-K120 VanDerWaalsContact O-N 3.13Å; C118-H131 PolarHBondContact SG-CE1 3.19Å; C118-H131 PolarHBondContact SG-NE2 3.31Å; C118-H135 PolarHBondContact SG-NE2 3.39Å; C118-H135 VanDerWaalsContact SG-NE2 3.41Å
119	V	45.5	Very low	42.1	Very low	98 Å²	98	86.5 Å²	86.5	59%	0.594	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	40.4	175.3	-159.6	0	0	0	0	112.9	C115	C115-V119 WeakPolarHBondContact O-CA 3.21Å; C115-V119 PolarHBondContact O-N 2.9Å
120	K	38.6	Very low	43.2	Very low	120 Å²	120	84.6 Å²	84.6	52%	0.522	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.3	174.3	-87.6	-169.5	174.3	-174.7	0	111.7	Q114 C115 C118 F122	Q114-K120 WeakPolarHBondContact CA-O 3.49Å; C115-K120 PolarHBondContact N-O 3.22Å; C115-K120 PolarHBondContact O-N 3.13Å; C118-K120 PolarHBondContact O-N 3.09Å; C118-K120 VanDerWaalsContact O-N 3.13Å; K120-F122 HydrophobicContact CB-CE2 3.72Å; K120-F122 HydrophobicContact CB-CZ 3.85Å; K120-F122 HydrophobicContact CD-CZ 4.44Å; K120-F122 WeakPolarHBondContact O-CE2 3.35Å
121	V	39.2	Very low	44.3	Very low	90 Å²	90	82 Å²	82	55%	0.545	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	-173.7	-174.5	0	0	0	0	109.2	I112 Q114	I112-V121 HydrophobicContact CB-CG1 4.44Å; I112-V121 HydrophobicContact CG2-CB 4.48Å; I112-V121 HydrophobicContact CG2-CG1 3.12Å; Q114-V121 HydrophobicContact CG-CG2 4.49Å
122	F	45.4	Very low	44.9	Very low	41 Å²	41	79.2 Å²	79.2	18%	0.18	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.1	-177.9	-59.6	-88.1	0	0	0	110.8	F113 C115 K120 K124 N127 H131	F113-F122 HydrophobicContact CB-CB 4.44Å; F113-F122 PolarHBondContact N-O 3.25Å; F113-F122 WeakPolarHBondContact O-CB 3.36Å; F113-F122 WeakPolarHBondContact O-CD2 3.4Å; F113-F122 PolarHBondContact O-N 3.09Å; C115-F122 HydrophobicContact CB-CE2 4.25Å; K120-F122 HydrophobicContact CB-CE2 3.72Å; K120-F122 HydrophobicContact CB-CZ 3.85Å; K120-F122 HydrophobicContact CD-CZ 4.44Å; K120-F122 WeakPolarHBondContact O-CE2 3.35Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.3Å; F122-N127 HydrophobicContact CB-CB 4.46Å; F122-N127 HydrophobicContact CD1-CB 3.92Å; F122-N127 HydrophobicContact CG-CB 4.47Å; F122-H131 HydrophobicContact CE1-CB 4.05Å; F122-H131 HydrophobicContact CE2-CB 3.88Å; F122-H131 AromaticContact CE2-CD2 3.4Å; F122-H131 WeakPolarHBondContact CE2-CD2 3.31Å; F122-H131 AromaticContact CE2-CG 3.61Å; F122-H131 HydrophobicContact CZ-CB 3.45Å; F122-H131 VanDerWaalsContact CZ-CB 3.45Å; F122-H131 AromaticContact CZ-CD2 3.48Å; F122-H131 VanDerWaalsContact CZ-CD2 3.48Å; F122-H131 WeakPolarHBondContact CZ-CD2 3.17Å; F122-H131 AromaticContact CZ-CG 3.21Å; F122-H131 AromaticContact CZ-ND1 3.62Å; F122-H131 AromaticContact CZ-NE2 3.98Å
123	S	37.3	Very low	45.6	Very low	82 Å²	82	75.6 Å²	75.6	57%	0.573	39%	0.393	S	S	*	.	S	Bend	trans	-79.3	-9.6	176.2	54.2	0	0	0	0	114.3
124	K	44.2	Very low	46.1	Very low	135 Å²	135	81 Å²	81	59%	0.587	41%	0.412	S	S	*	.	S	Bend	trans	-135.2	136.2	179.2	-65.5	-174.5	179.7	-177.8	0	111.5	F122 S126 N127 S128	F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.3Å; K124-S126 VanDerWaalsContact C-N 3.31Å; K124-S126 PolarHBondContact O-N 2.88Å; K124-N127 PolarHBondContact O-N 3.48Å; K124-N127 VanDerWaalsContact O-N 3.13Å; K124-S128 PolarHBondContact O-N 2.8Å
125	F	42.3	Very low	46.5	Very low	119 Å²	119	80.2 Å²	80.2	52%	0.522	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-42.3	-177.9	-176.7	-115.9	0	0	0	111.8	F113 N127 S128 N129	F113-F125 HydrophobicContact CD1-CB 4.04Å; F113-F125 AromaticContact CD1-CD2 3.42Å; F113-F125 HydrophobicContact CD1-CD2 3.42Å; F113-F125 VanDerWaalsContact CD1-CD2 3.42Å; F113-F125 HydrophobicContact CD1-CE2 4.35Å; F113-F125 HydrophobicContact CD1-CG 4.19Å; F113-F125 HydrophobicContact CD2-CB 3.96Å; F113-F125 HydrophobicContact CE1-CB 3.67Å; F113-F125 AromaticContact CE1-CD2 3.44Å; F113-F125 HydrophobicContact CE1-CD2 3.44Å; F113-F125 VanDerWaalsContact CE1-CD2 3.44Å; F113-F125 HydrophobicContact CE1-CE2 4.42Å; F113-F125 AromaticContact CE1-CG 3.92Å; F113-F125 HydrophobicContact CE1-CG 3.92Å; F113-F125 HydrophobicContact CE2-CB 3.61Å; F113-F125 HydrophobicContact CG-CB 4.13Å; F113-F125 HydrophobicContact CG-CD2 4.09Å; F113-F125 HydrophobicContact CZ-CB 3.45Å; F113-F125 VanDerWaalsContact CZ-CB 3.45Å; F113-F125 HydrophobicContact CZ-CD2 4.16Å; F113-F125 HydrophobicContact CZ-CG 4.19Å; F125-N127 PolarHBondContact O-N 2.73Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-S128 VanDerWaalsContact O-N 3.14Å; F125-N129 WeakPolarHBondContact O-CB 3.48Å; F125-N129 PolarHBondContact O-N 3.4Å
126	S	46.7	Very low	46.8	Very low	62 Å²	62	84.4 Å²	84.4	43%	0.434	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-33.6	178.8	52.2	0	0	0	0	113	K124 K130	K124-S126 VanDerWaalsContact C-N 3.31Å; K124-S126 PolarHBondContact O-N 2.88Å; S126-K130 WeakPolarHBondContact O-CB 3.47Å; S126-K130 VanDerWaalsContact O-CG 3.22Å; S126-K130 WeakPolarHBondContact O-CG 3.44Å; S126-K130 PolarHBondContact O-N 3.15Å; S126-K130 VanDerWaalsContact O-N 3.09Å
127	N	48.8	Very low	47.2	Very low	69 Å²	69	80.4 Å²	80.4	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-78.7	-39.6	177.1	-69.2	-16.1	0	0	0	111.9	F122 K124 F125 N129 H131	F122-N127 HydrophobicContact CB-CB 4.46Å; F122-N127 HydrophobicContact CD1-CB 3.92Å; F122-N127 HydrophobicContact CG-CB 4.47Å; K124-N127 PolarHBondContact O-N 3.48Å; K124-N127 VanDerWaalsContact O-N 3.13Å; F125-N127 PolarHBondContact O-N 2.73Å; N127-N129 VanDerWaalsContact C-N 3.35Å; N127-H131 VanDerWaalsContact O-CB 3.25Å; N127-H131 WeakPolarHBondContact O-CB 3.22Å; N127-H131 PolarHBondContact O-N 3.28Å
128	S	46.7	Very low	47.7	Very low	1 Å²	1	81.5 Å²	81.5	1%	0.007	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-41.8	172.3	-169.9	0	0	0	0	111.7	F113 K124 F125 H131 K132	F113-S128 WeakPolarHBondContact CB-OG 3.1Å; F113-S128 PolarHBondContact O-OG 2.77Å; K124-S128 PolarHBondContact O-N 2.8Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-S128 VanDerWaalsContact O-N 3.14Å; S128-H131 CarbonylContact O-C 3.27Å; S128-H131 WeakPolarHBondContact O-CB 3.43Å; S128-H131 PolarHBondContact O-N 3.38Å; S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 WeakPolarHBondContact O-CG 3.32Å; S128-K132 PolarHBondContact O-N 3.18Å
129	N	52.3	Low	48.5	Very low	71 Å²	71	84.1 Å²	84.1	38%	0.38	43%	0.427	S	S	.	.	H	α-helix	trans	-67.7	-47.8	179.6	-159.9	26.7	0	0	0	111.4	F125 N127 H131 K132 I133	F125-N129 WeakPolarHBondContact O-CB 3.48Å; F125-N129 PolarHBondContact O-N 3.4Å; N127-N129 VanDerWaalsContact C-N 3.35Å; N129-H131 PolarHBondContact O-N 3.18Å; N129-H131 VanDerWaalsContact O-N 3.17Å; N129-K132 PolarHBondContact O-N 3.11Å; N129-K132 VanDerWaalsContact O-N 3.11Å; N129-I133 WeakPolarHBondContact O-CG1 3.38Å; N129-I133 PolarHBondContact O-N 3.47Å
130	K	55.2	Low	49.1	Very low	145 Å²	145	83.1 Å²	83.1	63%	0.63	42%	0.422	S	S	*	.	H	α-helix	trans	-54.4	-35.8	171.4	-77	173.4	-176.4	177.8	0	112.9	S126	S126-K130 WeakPolarHBondContact O-CB 3.47Å; S126-K130 VanDerWaalsContact O-CG 3.22Å; S126-K130 WeakPolarHBondContact O-CG 3.44Å; S126-K130 PolarHBondContact O-N 3.15Å; S126-K130 VanDerWaalsContact O-N 3.09Å
131	H	55.5	Low	50.1	Low	13 Å²	13	81 Å²	81	6%	0.06	41%	0.413	C	S	.	.	H	α-helix	trans	-77	-37.7	178.1	173.7	83.3	0	0	0	113	C115 C118 F122 N127 S128 N129 R134 H135	C115-H131 WeakPolarHBondContact CB-CD2 3.31Å; C115-H131 VanDerWaalsContact SG-CD2 3.54Å; C115-H131 PolarHBondContact SG-NE2 3.12Å; C118-H131 PolarHBondContact SG-CE1 3.19Å; C118-H131 PolarHBondContact SG-NE2 3.31Å; F122-H131 HydrophobicContact CE1-CB 4.05Å; F122-H131 HydrophobicContact CE2-CB 3.88Å; F122-H131 AromaticContact CE2-CD2 3.4Å; F122-H131 WeakPolarHBondContact CE2-CD2 3.31Å; F122-H131 AromaticContact CE2-CG 3.61Å; F122-H131 HydrophobicContact CZ-CB 3.45Å; F122-H131 VanDerWaalsContact CZ-CB 3.45Å; F122-H131 AromaticContact CZ-CD2 3.48Å; F122-H131 VanDerWaalsContact CZ-CD2 3.48Å; F122-H131 WeakPolarHBondContact CZ-CD2 3.17Å; F122-H131 AromaticContact CZ-CG 3.21Å; F122-H131 AromaticContact CZ-ND1 3.62Å; F122-H131 AromaticContact CZ-NE2 3.98Å; N127-H131 VanDerWaalsContact O-CB 3.25Å; N127-H131 WeakPolarHBondContact O-CB 3.22Å; N127-H131 PolarHBondContact O-N 3.28Å; S128-H131 CarbonylContact O-C 3.27Å; S128-H131 WeakPolarHBondContact O-CB 3.43Å; S128-H131 PolarHBondContact O-N 3.38Å; N129-H131 PolarHBondContact O-N 3.18Å; N129-H131 VanDerWaalsContact O-N 3.17Å; H131-R134 WeakPolarHBondContact O-CB 3.18Å; H131-R134 PolarHBondContact O-N 3.27Å; H131-H135 AromaticContact CD2-NE2 3.82Å; H131-H135 AromaticContact CE1-NE2 3.57Å; H131-H135 AromaticContact NE2-CD2 3.81Å; H131-H135 AromaticContact NE2-NE2 3.1Å; H131-H135 PolarHBondContact NE2-NE2 3.44Å; H131-H135 VanDerWaalsContact NE2-NE2 3.1Å; H131-H135 PolarHBondContact O-CD2 3.32Å
132	K	51.8	Low	50.8	Low	87 Å²	87	83.3 Å²	83.3	38%	0.378	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-40.7	175	-77.6	-179.6	-179.2	-174.8	0	112.7	Q114 C115 S128 N129 R134 H135 T136	Q114-K132 WeakPolarHBondContact O-CE 3.48Å; Q114-K132 PolarHBondContact O-NZ 3Å; C115-K132 HydrophobicContact CB-CG 4.22Å; S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 WeakPolarHBondContact O-CG 3.32Å; S128-K132 PolarHBondContact O-N 3.18Å; N129-K132 PolarHBondContact O-N 3.11Å; N129-K132 VanDerWaalsContact O-N 3.11Å; K132-R134 PolarHBondContact O-N 3.04Å; K132-R134 VanDerWaalsContact O-N 3.12Å; K132-H135 WeakPolarHBondContact O-CB 3.3Å; K132-H135 PolarHBondContact O-N 3.31Å; K132-T136 PolarHBondContact O-N 2.93Å
133	I	53.7	Low	51.7	Low	37 Å²	37	81.5 Å²	81.5	19%	0.19	41%	0.408	C	S	.	.	H	α-helix	trans	-59.8	-25.7	174.4	-57.6	163.7	0	0	0	110.8	N129 H135 T136 G137 E138 P140 Y151	N129-I133 WeakPolarHBondContact O-CG1 3.38Å; N129-I133 PolarHBondContact O-N 3.47Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 2.97Å; I133-T136 PolarHBondContact O-OG1 2.79Å; I133-G137 PolarHBondContact O-N 3.44Å; I133-E138 HydrophobicContact CG2-CB 4.36Å; I133-E138 VanDerWaalsContact CG2-O 3.29Å; I133-E138 WeakPolarHBondContact CG2-O 3.41Å; I133-P140 HydrophobicContact CG2-CG 4.15Å; I133-Y151 HydrophobicContact CB-CE1 4.38Å; I133-Y151 HydrophobicContact CG2-CD1 4.13Å; I133-Y151 HydrophobicContact CG2-CE1 3.68Å; I133-Y151 PolarHBondContact O-OH 3Å
134	R	52.8	Low	52.8	Low	160 Å²	160	84.4 Å²	84.4	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-72.3	-20.3	176	-133.6	-179.6	65.7	-176.6	4	114	H131 K132	H131-R134 WeakPolarHBondContact O-CB 3.18Å; H131-R134 PolarHBondContact O-N 3.27Å; K132-R134 PolarHBondContact O-N 3.04Å; K132-R134 VanDerWaalsContact O-N 3.12Å
135	H	46.2	Very low	53.5	Low	72 Å²	72	84.4 Å²	84.4	33%	0.333	43%	0.425	S	S	.	.	H	α-helix	trans	-90	-33.3	175.5	-69.2	-67.9	0	0	0	112.4	C115 T117 C118 H131 K132 I133 G137	C115-H135 PolarHBondContact SG-CD2 3.41Å; C115-H135 PolarHBondContact SG-NE2 3.31Å; T117-H135 HydrophobicContact CG2-CB 4.19Å; C118-H135 PolarHBondContact SG-NE2 3.39Å; C118-H135 VanDerWaalsContact SG-NE2 3.41Å; H131-H135 AromaticContact CD2-NE2 3.82Å; H131-H135 AromaticContact CE1-NE2 3.57Å; H131-H135 AromaticContact NE2-CD2 3.81Å; H131-H135 AromaticContact NE2-NE2 3.1Å; H131-H135 PolarHBondContact NE2-NE2 3.44Å; H131-H135 VanDerWaalsContact NE2-NE2 3.1Å; H131-H135 PolarHBondContact O-CD2 3.32Å; K132-H135 WeakPolarHBondContact O-CB 3.3Å; K132-H135 PolarHBondContact O-N 3.31Å; I133-H135 VanDerWaalsContact C-N 3.3Å; I133-H135 PolarHBondContact O-N 2.97Å; H135-G137 PolarHBondContact O-N 2.83Å
136	T	50.9	Low	54.7	Low	88 Å²	88	81.3 Å²	81.3	54%	0.54	42%	0.417	S	S	.	.	H	α-helix	trans	-75.5	-14.8	176.5	59.3	0	0	0	0	112.7	K132 I133 E138	K132-T136 PolarHBondContact O-N 2.93Å; I133-T136 PolarHBondContact O-OG1 2.79Å; T136-E138 PolarHBondContact O-N 3.4Å; T136-E138 VanDerWaalsContact O-N 3.1Å
137	G	51.1	Low	55.1	Low	45 Å²	45	80 Å²	80	46%	0.464	41%	0.414	S	S	.	.			trans	71	-0.6	-178.5	0	0	0	0	0	113.7	I133 H135 K139	I133-G137 PolarHBondContact O-N 3.44Å; H135-G137 PolarHBondContact O-N 2.83Å; G137-K139 PolarHBondContact O-N 3.4Å
138	E	53.5	Low	55.5	Low	123 Å²	123	84.8 Å²	84.8	58%	0.575	43%	0.427	S	S	*	.			trans	-64	131.9	178.2	-69.6	-179.2	160.2	0	0	109.8	I133 T136 P140 Y151	I133-E138 HydrophobicContact CG2-CB 4.36Å; I133-E138 VanDerWaalsContact CG2-O 3.29Å; I133-E138 WeakPolarHBondContact CG2-O 3.41Å; T136-E138 PolarHBondContact O-N 3.4Å; T136-E138 VanDerWaalsContact O-N 3.1Å; E138-P140 WeakPolarHBondContact O-CD 3.48Å; E138-Y151 VanDerWaalsContact O-CE1 3.26Å; E138-Y151 WeakPolarHBondContact O-CE1 3.17Å
139	K	60.5	Low	56	Low	109 Å²	109	87.2 Å²	87.2	47%	0.474	44%	0.444	S	S	.	.			trans	-117.4	84.9	177.6	-65.8	-177.6	-162.9	166	0	107	G137 F141 S149 F150 Y151	G137-K139 PolarHBondContact O-N 3.4Å; K139-F141 PolarHBondContact O-N 3.2Å; K139-F141 VanDerWaalsContact O-N 3.11Å; K139-S149 WeakPolarHBondContact CD-O 2.99Å; K139-S149 VanDerWaalsContact O-CB 3.28Å; K139-S149 WeakPolarHBondContact O-CB 3.13Å; K139-F150 CarbonylContact C-O 3.53Å; K139-Y151 HydrophobicContact CG-CE2 4.13Å
140	P	58.1	Low	56.6	Low	76 Å²	76	85.7 Å²	85.7	49%	0.494	43%	0.434	S	S	.	.			trans	-67.5	-19	-165.3	-21.1	33.3	0	0	0	113.6	I133 E138	I133-P140 HydrophobicContact CG2-CG 4.15Å; E138-P140 WeakPolarHBondContact O-CD 3.48Å
141	F	59.9	Low	56.9	Low	76 Å²	76	81.2 Å²	81.2	33%	0.333	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106.3	-170.9	-52.2	-78	0	0	0	110.4	K139 S149 F150 M152 L155	K139-F141 PolarHBondContact O-N 3.2Å; K139-F141 VanDerWaalsContact O-N 3.11Å; F141-S149 CarbonylContact O-C 3.5Å; F141-S149 WeakPolarHBondContact O-CA 3.21Å; F141-F150 WeakPolarHBondContact CB-O 3.14Å; F141-F150 PolarHBondContact N-O 3.31Å; F141-F150 PolarHBondContact O-N 2.88Å; F141-M152 HydrophobicContact CB-SD 4.41Å; F141-M152 HydrophobicContact CD1-CE 3.36Å; F141-M152 HydrophobicContact CD1-SD 3.63Å; F141-M152 HydrophobicContact CD2-CB 3.84Å; F141-M152 VanDerWaalsContact CD2-N 3.31Å; F141-M152 HydrophobicContact CD2-SD 4.23Å; F141-M152 HydrophobicContact CE1-CE 3.08Å; F141-M152 HydrophobicContact CE1-SD 3.9Å; F141-M152 HydrophobicContact CE2-CB 3.73Å; F141-M152 HydrophobicContact CE2-CE 4.34Å; F141-M152 HydrophobicContact CE2-SD 4.44Å; F141-M152 HydrophobicContact CG-CB 4.36Å; F141-M152 HydrophobicContact CG-CE 4.12Å; F141-M152 HydrophobicContact CG-SD 3.81Å; F141-M152 HydrophobicContact CZ-CB 4.2Å; F141-M152 HydrophobicContact CZ-CE 3.62Å; F141-M152 HydrophobicContact CZ-SD 4.28Å; F141-L155 HydrophobicContact CB-CB 4.38Å; F141-L155 HydrophobicContact CB-CD2 3.55Å
142	K	53.2	Low	56.6	Low	138 Å²	138	85.3 Å²	85.3	60%	0.6	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.2	-179.7	-157.5	176.8	-175.1	-178.1	0	110.1	T144 G147	K142-T144 PolarHBondContact O-N 3.24Å; K142-G147 WeakPolarHBondContact CE-O 3.39Å; K142-G147 VanDerWaalsContact CG-O 3.3Å; K142-G147 WeakPolarHBondContact CG-O 2.99Å
143	C	64.2	Low	56.6	Low	4 Å²	4	85.3 Å²	85.3	3%	0.027	44%	0.444	C	S	.	.			trans	-68.4	124.3	170	178.9	0	0	0	0	108.9	E145 G147 R148 F150 L155	C143-E145 VanDerWaalsContact C-N 3.27Å; C143-E145 PolarHBondContact O-N 3.39Å; C143-G147 WeakPolarHBondContact O-CA 3.29Å; C143-G147 PolarHBondContact O-N 3.29Å; C143-R148 WeakPolarHBondContact CB-O 3.26Å; C143-R148 PolarHBondContact N-O 2.81Å; C143-F150 HydrophobicContact CB-CD2 4.44Å; C143-F150 HydrophobicContact CB-CE2 4.14Å; C143-L155 HydrophobicContact CB-CD1 3.79Å
144	T	61.4	Low	56.9	Low	142 Å²	142	88.3 Å²	88.3	87%	0.871	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.5	-179.4	47	0	0	0	0	112.7	K142	K142-T144 PolarHBondContact O-N 3.24Å
145	E	58.5	Low	57.5	Low	135 Å²	135	81.9 Å²	81.9	63%	0.631	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-35.4	-178.3	-71.6	-171.8	-149.7	0	0	115.2	C143 H162	C143-E145 VanDerWaalsContact C-N 3.27Å; C143-E145 PolarHBondContact O-N 3.39Å; E145-H162 WeakPolarHBondContact OE2-CB 3.42Å; E145-H162 IonicContact OE2-CE1 3.74Å; E145-H162 IonicContact OE2-CG 3.14Å; E145-H162 IonicContact OE2-ND1 2.73Å; E145-H162 PolarHBondContact OE2-ND1 3.1Å
146	C	66.8	Low	58.2	Low	54 Å²	54	82.9 Å²	82.9	37%	0.365	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	5.2	-179.6	71.4	0	0	0	0	114.5	R148 H158 H162	C146-R148 PolarHBondContact O-N 2.73Å; C146-H158 PolarHBondContact SG-CE1 2.97Å; C146-H162 PolarHBondContact SG-NE2 2.95Å
147	G	56.5	Low	58.7	Low	36 Å²	36	81.8 Å²	81.8	37%	0.371	44%	0.435	S	S	.	.			trans	67.1	3.7	177.1	0	0	0	0	0	115.1	K142 C143	K142-G147 WeakPolarHBondContact CE-O 3.39Å; K142-G147 VanDerWaalsContact CG-O 3.3Å; K142-G147 WeakPolarHBondContact CG-O 2.99Å; C143-G147 WeakPolarHBondContact O-CA 3.29Å; C143-G147 PolarHBondContact O-N 3.29Å
148	R	56.8	Low	59.3	Low	169 Å²	169	80.8 Å²	80.8	64%	0.638	42%	0.418	S	S	*	.			trans	-79.6	134.4	-178.8	-71.9	-177.2	177.1	-167.3	-1.2	111.5	C143 C146 F150	C143-R148 WeakPolarHBondContact CB-O 3.26Å; C143-R148 PolarHBondContact N-O 2.81Å; C146-R148 PolarHBondContact O-N 2.73Å; R148-F150 HydrophobicContact CB-CD2 4.37Å; R148-F150 HydrophobicContact CB-CE2 3.39Å; R148-F150 HydrophobicContact CB-CZ 3.54Å; R148-F150 WeakPolarHBondContact O-CD2 3.46Å; R148-F150 WeakPolarHBondContact O-CE2 3.2Å
149	S	56.4	Low	59.7	Low	51 Å²	51	77.9 Å²	77.9	36%	0.357	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.6	179.6	-60.3	0	0	0	0	112	K139 F141	K139-S149 WeakPolarHBondContact CD-O 2.99Å; K139-S149 VanDerWaalsContact O-CB 3.28Å; K139-S149 WeakPolarHBondContact O-CB 3.13Å; F141-S149 CarbonylContact O-C 3.5Å; F141-S149 WeakPolarHBondContact O-CA 3.21Å
150	F	65.4	Low	59.8	Low	39 Å²	39	73.2 Å²	73.2	17%	0.171	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	168.6	-180	-57.7	-83.1	0	0	0	112.3	K139 F141 C143 R148 H154 L155 H158	K139-F150 CarbonylContact C-O 3.53Å; F141-F150 WeakPolarHBondContact CB-O 3.14Å; F141-F150 PolarHBondContact N-O 3.31Å; F141-F150 PolarHBondContact O-N 2.88Å; C143-F150 HydrophobicContact CB-CD2 4.44Å; C143-F150 HydrophobicContact CB-CE2 4.14Å; R148-F150 HydrophobicContact CB-CD2 4.37Å; R148-F150 HydrophobicContact CB-CE2 3.39Å; R148-F150 HydrophobicContact CB-CZ 3.54Å; R148-F150 WeakPolarHBondContact O-CD2 3.46Å; R148-F150 WeakPolarHBondContact O-CE2 3.2Å; F150-H154 HydrophobicContact CB-CB 4.17Å; F150-H154 HydrophobicContact CD1-CB 4.37Å; F150-L155 HydrophobicContact CB-CB 3.99Å; F150-L155 HydrophobicContact CD2-CD1 3.84Å; F150-H158 HydrophobicContact CD2-CB 4.41Å; F150-H158 HydrophobicContact CE1-CB 4.46Å; F150-H158 AromaticContact CE1-CD2 3.84Å; F150-H158 HydrophobicContact CE2-CB 4.19Å; F150-H158 AromaticContact CE2-CD2 3.57Å; F150-H158 AromaticContact CE2-CE1 3.48Å; F150-H158 VanDerWaalsContact CE2-CE1 3.48Å; F150-H158 WeakPolarHBondContact CE2-CE1 3.19Å; F150-H158 AromaticContact CE2-CG 3.44Å; F150-H158 VanDerWaalsContact CE2-CG 3.44Å; F150-H158 AromaticContact CE2-ND1 3.38Å; F150-H158 WeakPolarHBondContact CE2-ND1 3.39Å; F150-H158 AromaticContact CE2-NE2 3.57Å; F150-H158 HydrophobicContact CZ-CB 4.23Å; F150-H158 AromaticContact CZ-CD2 3.14Å; F150-H158 WeakPolarHBondContact CZ-CD2 3.43Å; F150-H158 AromaticContact CZ-CE1 3.76Å; F150-H158 AromaticContact CZ-CG 3.48Å; F150-H158 VanDerWaalsContact CZ-CG 3.48Å; F150-H158 AromaticContact CZ-ND1 3.84Å; F150-H158 AromaticContact CZ-NE2 3.32Å; F150-H158 VanDerWaalsContact CZ-NE2 3.32Å; F150-H158 WeakPolarHBondContact CZ-NE2 2.99Å
151	Y	61.7	Low	59.9	Low	51 Å²	51	74.3 Å²	74.3	20%	0.2	39%	0.392	C	S	.	.			trans	-78.2	149.6	160.8	-59.2	-82.4	0	0	0	109.1	I133 E138 K139 S153 H154 L155	I133-Y151 HydrophobicContact CB-CE1 4.38Å; I133-Y151 HydrophobicContact CG2-CD1 4.13Å; I133-Y151 HydrophobicContact CG2-CE1 3.68Å; I133-Y151 PolarHBondContact O-OH 3Å; E138-Y151 VanDerWaalsContact O-CE1 3.26Å; E138-Y151 WeakPolarHBondContact O-CE1 3.17Å; K139-Y151 HydrophobicContact CG-CE2 4.13Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.4Å; Y151-S153 VanDerWaalsContact O-N 3.09Å; Y151-H154 CarbonylContact O-C 3.59Å; Y151-H154 WeakPolarHBondContact O-CA 3.18Å; Y151-H154 PolarHBondContact O-N 2.76Å; Y151-L155 PolarHBondContact O-N 3.06Å
152	M	48.8	Very low	59.9	Low	99 Å²	99	73.8 Å²	73.8	49%	0.488	39%	0.391	S	S	.	.	H	α-helix	trans	-51.7	-40.5	-171.9	-163.8	64.6	104.6	0	0	114.5	F141 H154 L155 T156	F141-M152 HydrophobicContact CB-SD 4.41Å; F141-M152 HydrophobicContact CD1-CE 3.36Å; F141-M152 HydrophobicContact CD1-SD 3.63Å; F141-M152 HydrophobicContact CD2-CB 3.84Å; F141-M152 VanDerWaalsContact CD2-N 3.31Å; F141-M152 HydrophobicContact CD2-SD 4.23Å; F141-M152 HydrophobicContact CE1-CE 3.08Å; F141-M152 HydrophobicContact CE1-SD 3.9Å; F141-M152 HydrophobicContact CE2-CB 3.73Å; F141-M152 HydrophobicContact CE2-CE 4.34Å; F141-M152 HydrophobicContact CE2-SD 4.44Å; F141-M152 HydrophobicContact CG-CB 4.36Å; F141-M152 HydrophobicContact CG-CE 4.12Å; F141-M152 HydrophobicContact CG-SD 3.81Å; F141-M152 HydrophobicContact CZ-CB 4.2Å; F141-M152 HydrophobicContact CZ-CE 3.62Å; F141-M152 HydrophobicContact CZ-SD 4.28Å; M152-H154 VanDerWaalsContact C-N 3.33Å; M152-H154 PolarHBondContact O-N 2.83Å; M152-L155 PolarHBondContact O-N 3.46Å; M152-T156 PolarHBondContact O-N 3.02Å; M152-T156 PolarHBondContact O-OG1 3.44Å
153	S	52.9	Low	60.2	Low	87 Å²	87	70.4 Å²	70.4	61%	0.608	39%	0.389	S	S	*	.	H	α-helix	trans	-67.5	-30.1	176.8	54.4	0	0	0	0	113.7	Y151	Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.4Å; Y151-S153 VanDerWaalsContact O-N 3.09Å
154	H	59.9	Low	60	Low	101 Å²	101	72.7 Å²	72.7	47%	0.468	41%	0.413	S	S	.	.	H	α-helix	trans	-85.3	-31.2	175.1	-70.7	-177.8	0	0	0	111.7	F150 Y151 M152 Q157 H158	F150-H154 HydrophobicContact CB-CB 4.17Å; F150-H154 HydrophobicContact CD1-CB 4.37Å; Y151-H154 CarbonylContact O-C 3.59Å; Y151-H154 WeakPolarHBondContact O-CA 3.18Å; Y151-H154 PolarHBondContact O-N 2.76Å; M152-H154 VanDerWaalsContact C-N 3.33Å; M152-H154 PolarHBondContact O-N 2.83Å; H154-Q157 PolarHBondContact O-N 3.31Å; H154-H158 WeakPolarHBondContact O-CB 3.49Å; H154-H158 PolarHBondContact O-N 3.12Å
155	L	64.4	Low	59.9	Low	24 Å²	24	71.9 Å²	71.9	13%	0.126	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-49.1	173.3	-176.7	62.7	0	0	0	110	F141 C143 F150 Y151 M152 Q157 H158 T159	F141-L155 HydrophobicContact CB-CB 4.38Å; F141-L155 HydrophobicContact CB-CD2 3.55Å; C143-L155 HydrophobicContact CB-CD1 3.79Å; F150-L155 HydrophobicContact CB-CB 3.99Å; F150-L155 HydrophobicContact CD2-CD1 3.84Å; Y151-L155 PolarHBondContact O-N 3.06Å; M152-L155 PolarHBondContact O-N 3.46Å; L155-Q157 PolarHBondContact O-N 3.14Å; L155-H158 CarbonylContact O-C 3.52Å; L155-H158 WeakPolarHBondContact O-CA 3.4Å; L155-H158 WeakPolarHBondContact O-CB 3.4Å; L155-H158 PolarHBondContact O-N 3.1Å; L155-T159 HydrophobicContact CD1-CG2 3.96Å; L155-T159 HydrophobicContact CG-CG2 4.09Å; L155-T159 WeakPolarHBondContact O-CG2 3.28Å; L155-T159 PolarHBondContact O-N 2.95Å; L155-T159 PolarHBondContact O-OG1 3.23Å; L155-T159 VanDerWaalsContact O-OG1 3.08Å
156	T	61.9	Low	60.4	Low	94 Å²	94	71.2 Å²	71.2	58%	0.577	39%	0.394	S	S	*	.	H	α-helix	trans	-56.7	-36	178.6	-48.9	0	0	0	0	112.4	M152 T159	M152-T156 PolarHBondContact O-N 3.02Å; M152-T156 PolarHBondContact O-OG1 3.44Å; T156-T159 PolarHBondContact O-OG1 3.25Å
157	Q	61.2	Low	60.5	Low	64 Å²	64	72.9 Å²	72.9	30%	0.299	41%	0.405	S	S	.	.	H	α-helix	trans	-79.8	-29.9	176.2	-177.3	176.6	77.3	0	0	113.1	H154 L155 R179	H154-Q157 PolarHBondContact O-N 3.31Å; L155-Q157 PolarHBondContact O-N 3.14Å; Q157-R179 VanDerWaalsContact NE2-NE 3.18Å
158	H	64.4	Low	61.2	Low	25 Å²	25	76 Å²	76	12%	0.116	41%	0.406	C	S	.	.	H	α-helix	trans	-77.9	-37.4	179.6	172.8	-85	0	0	0	111.8	C146 F150 H154 L155 G160 I161 H162	C146-H158 PolarHBondContact SG-CE1 2.97Å; F150-H158 HydrophobicContact CD2-CB 4.41Å; F150-H158 HydrophobicContact CE1-CB 4.46Å; F150-H158 AromaticContact CE1-CD2 3.84Å; F150-H158 HydrophobicContact CE2-CB 4.19Å; F150-H158 AromaticContact CE2-CD2 3.57Å; F150-H158 AromaticContact CE2-CE1 3.48Å; F150-H158 VanDerWaalsContact CE2-CE1 3.48Å; F150-H158 WeakPolarHBondContact CE2-CE1 3.19Å; F150-H158 AromaticContact CE2-CG 3.44Å; F150-H158 VanDerWaalsContact CE2-CG 3.44Å; F150-H158 AromaticContact CE2-ND1 3.38Å; F150-H158 WeakPolarHBondContact CE2-ND1 3.39Å; F150-H158 AromaticContact CE2-NE2 3.57Å; F150-H158 HydrophobicContact CZ-CB 4.23Å; F150-H158 AromaticContact CZ-CD2 3.14Å; F150-H158 WeakPolarHBondContact CZ-CD2 3.43Å; F150-H158 AromaticContact CZ-CE1 3.76Å; F150-H158 AromaticContact CZ-CG 3.48Å; F150-H158 VanDerWaalsContact CZ-CG 3.48Å; F150-H158 AromaticContact CZ-ND1 3.84Å; F150-H158 AromaticContact CZ-NE2 3.32Å; F150-H158 VanDerWaalsContact CZ-NE2 3.32Å; F150-H158 WeakPolarHBondContact CZ-NE2 2.99Å; H154-H158 WeakPolarHBondContact O-CB 3.49Å; H154-H158 PolarHBondContact O-N 3.12Å; L155-H158 CarbonylContact O-C 3.52Å; L155-H158 WeakPolarHBondContact O-CA 3.4Å; L155-H158 WeakPolarHBondContact O-CB 3.4Å; L155-H158 PolarHBondContact O-N 3.1Å; H158-G160 PolarHBondContact O-N 2.98Å; H158-I161 WeakPolarHBondContact O-CA 3.48Å; H158-I161 WeakPolarHBondContact O-CB 3.3Å; H158-I161 PolarHBondContact O-N 3.22Å; H158-H162 AromaticContact CE1-CD2 3.5Å; H158-H162 AromaticContact CE1-NE2 3.15Å; H158-H162 PolarHBondContact CE1-NE2 3.04Å; H158-H162 AromaticContact ND1-CD2 3.84Å; H158-H162 AromaticContact ND1-NE2 3.95Å; H158-H162 AromaticContact NE2-NE2 3.84Å
159	T	61.6	Low	61.6	Low	61 Å²	61	75 Å²	75	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-61.7	-32.4	172.3	50.6	0	0	0	0	111.5	L155 T156 I161 H162 A163	L155-T159 HydrophobicContact CD1-CG2 3.96Å; L155-T159 HydrophobicContact CG-CG2 4.09Å; L155-T159 WeakPolarHBondContact O-CG2 3.28Å; L155-T159 PolarHBondContact O-N 2.95Å; L155-T159 PolarHBondContact O-OG1 3.23Å; L155-T159 VanDerWaalsContact O-OG1 3.08Å; T156-T159 PolarHBondContact O-OG1 3.25Å; T159-I161 PolarHBondContact O-N 2.98Å; T159-H162 WeakPolarHBondContact O-CB 3.39Å; T159-H162 PolarHBondContact O-N 3.1Å; T159-H162 VanDerWaalsContact O-N 3.09Å; T159-A163 PolarHBondContact O-N 3.25Å; T159-A163 VanDerWaalsContact O-N 3.07Å
160	G	61.1	Low	62.6	Low	11 Å²	11	72.8 Å²	72.8	11%	0.113	39%	0.391	C	S	.	.	H	α-helix	trans	-63.2	-19.2	169.7	0	0	0	0	0	114.7	H158 G164 E165	H158-G160 PolarHBondContact O-N 2.98Å; G160-G164 PolarHBondContact O-N 3.33Å; G160-E165 PolarHBondContact O-N 3.48Å
161	I	60.7	Low	63	Low	99 Å²	99	80 Å²	80	51%	0.508	43%	0.425	S	S	.	.	H	α-helix	trans	-73.8	-37.5	173.1	-55.6	173.8	0	0	0	110.3	H158 T159 G164	H158-I161 WeakPolarHBondContact O-CA 3.48Å; H158-I161 WeakPolarHBondContact O-CB 3.3Å; H158-I161 PolarHBondContact O-N 3.22Å; T159-I161 PolarHBondContact O-N 2.98Å; I161-G164 PolarHBondContact O-N 3.34Å
162	H	59.7	Low	63.2	Low	65 Å²	65	85.2 Å²	85.2	30%	0.301	45%	0.449	S	S	.	.	H	α-helix	trans	-70.5	-43.9	177.7	-77.2	-78.1	0	0	0	112.2	E145 C146 H158 T159 G164	E145-H162 WeakPolarHBondContact OE2-CB 3.42Å; E145-H162 IonicContact OE2-CE1 3.74Å; E145-H162 IonicContact OE2-CG 3.14Å; E145-H162 IonicContact OE2-ND1 2.73Å; E145-H162 PolarHBondContact OE2-ND1 3.1Å; C146-H162 PolarHBondContact SG-NE2 2.95Å; H158-H162 AromaticContact CE1-CD2 3.5Å; H158-H162 AromaticContact CE1-NE2 3.15Å; H158-H162 PolarHBondContact CE1-NE2 3.04Å; H158-H162 AromaticContact ND1-CD2 3.84Å; H158-H162 AromaticContact ND1-NE2 3.95Å; H158-H162 AromaticContact NE2-NE2 3.84Å; T159-H162 WeakPolarHBondContact O-CB 3.39Å; T159-H162 PolarHBondContact O-N 3.1Å; T159-H162 VanDerWaalsContact O-N 3.09Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.17Å
163	A	60.5	Low	64.3	Low	68 Å²	68	83 Å²	83	56%	0.562	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-2.2	174.8	0	0	0	0	0	114.2	T159 E165	T159-A163 PolarHBondContact O-N 3.25Å; T159-A163 VanDerWaalsContact O-N 3.07Å; A163-E165 HydrophobicContact CB-CG 3.89Å; A163-E165 PolarHBondContact O-N 3.4Å; A163-E165 VanDerWaalsContact O-N 3.1Å
164	G	59.1	Low	65.2	Low	52 Å²	52	81.7 Å²	81.7	54%	0.536	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	8.2	-176.5	0	0	0	0	0	114.5	G160 I161 H162 K166	G160-G164 PolarHBondContact O-N 3.33Å; I161-G164 PolarHBondContact O-N 3.34Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.17Å; G164-K166 PolarHBondContact O-N 2.91Å
165	E	60.2	Low	65.7	Low	125 Å²	125	83.1 Å²	83.1	58%	0.584	45%	0.447	S	S	*	.			trans	-67.6	115	-176.7	-69	-175.3	174	0	0	110.5	G160 A163 P167	G160-E165 PolarHBondContact O-N 3.48Å; A163-E165 HydrophobicContact CB-CG 3.89Å; A163-E165 PolarHBondContact O-N 3.4Å; A163-E165 VanDerWaalsContact O-N 3.1Å; E165-P167 VanDerWaalsContact C-CD 3.49Å; E165-P167 WeakPolarHBondContact O-CD 3.4Å
166	K	68.5	Low	66.2	Low	120 Å²	120	83.3 Å²	83.3	52%	0.522	45%	0.452	S	S	.	.			trans	-120	76.9	172.6	-68	171.1	179.5	173.8	0	108.4	G164 Y168 A176 F177	G164-K166 PolarHBondContact O-N 2.91Å; K166-Y168 PolarHBondContact O-N 3.42Å; K166-Y168 VanDerWaalsContact O-N 3.11Å; K166-A176 HydrophobicContact CB-CB 3.34Å; K166-A176 HydrophobicContact CD-CB 3.82Å; K166-A176 WeakPolarHBondContact CD-O 3.4Å; K166-A176 HydrophobicContact CG-CB 4.2Å; K166-F177 CarbonylContact C-O 3.35Å; K166-F177 WeakPolarHBondContact CA-O 3.26Å
167	P	69.1	Low	67	Low	89 Å²	89	80.9 Å²	80.9	58%	0.578	43%	0.434	S	S	*	.			trans	-62.8	-24.8	-169.9	-22	33.7	0	0	0	113.1	E165 K169	E165-P167 VanDerWaalsContact C-CD 3.49Å; E165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-K169 PolarHBondContact O-N 3.04Å
168	Y	70.8	Confident	67.3	Low	102 Å²	102	80.9 Å²	80.9	40%	0.4	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	90.5	-173.2	-56.1	-78.9	0	0	0	110.4	K166 A176 F177 R179	K166-Y168 PolarHBondContact O-N 3.42Å; K166-Y168 VanDerWaalsContact O-N 3.11Å; Y168-A176 CarbonylContact O-C 3.2Å; Y168-F177 WeakPolarHBondContact CB-O 3.45Å; Y168-F177 PolarHBondContact N-O 3.47Å; Y168-F177 VanDerWaalsContact N-O 3.16Å; Y168-F177 PolarHBondContact O-N 3.39Å; Y168-R179 VanDerWaalsContact CD2-C 3.45Å
169	K	66.4	Low	67.7	Low	149 Å²	149	85 Å²	85	65%	0.648	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	140.1	178.3	-66.6	-178.6	-179.3	176.1	0	112	P167 A176	P167-K169 PolarHBondContact O-N 3.04Å; K169-A176 HydrophobicContact CG-CB 3.78Å
170	C	77.1	Confident	68.3	Low	4 Å²	4	84.8 Å²	84.8	3%	0.027	45%	0.451	C	S	.	.			trans	-88	112.1	170.5	-175.1	0	0	0	0	109.7	K172 C173 G174 K175 F177 L183 H190	C170-K172 PolarHBondContact O-N 3.11Å; C170-C173 PolarHBondContact O-N 3.1Å; C170-C173 VanDerWaalsContact SG-SG 3.64Å; C170-G174 VanDerWaalsContact O-CA 3.31Å; C170-G174 WeakPolarHBondContact O-CA 3.32Å; C170-G174 PolarHBondContact O-N 3.37Å; C170-K175 WeakPolarHBondContact CB-O 3.44Å; C170-K175 PolarHBondContact N-O 3.25Å; C170-F177 HydrophobicContact CB-CE2 4.41Å; C170-L183 HydrophobicContact CB-CD1 3.55Å; C170-H190 VanDerWaalsContact SG-CD2 3.56Å; C170-H190 PolarHBondContact SG-NE2 2.86Å; C170-H190 VanDerWaalsContact SG-NE2 3.4Å
171	E	72.3	Confident	68.9	Low	191 Å²	191	88.1 Å²	88.1	89%	0.893	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33	-179.8	-69	166.3	179.1	0	0	113.2
172	K	66.9	Low	69.7	Low	160 Å²	160	85.3 Å²	85.3	70%	0.696	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.9	-178.8	-71	-169.9	175.4	-172.9	0	115.1	C170 H190	C170-K172 PolarHBondContact O-N 3.11Å; K172-H190 HydrophobicContact CD-CB 3.77Å
173	C	71.3	Confident	70.5	Confident	53 Å²	53	83 Å²	83	36%	0.358	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	7.2	-174.3	72.4	0	0	0	0	114.6	C170 K175 H186 H190	C170-C173 PolarHBondContact O-N 3.1Å; C170-C173 VanDerWaalsContact SG-SG 3.64Å; C173-K175 PolarHBondContact O-N 3.49Å; C173-H186 PolarHBondContact SG-NE2 3.06Å; C173-H190 PolarHBondContact SG-NE2 3.07Å; C173-H190 VanDerWaalsContact SG-NE2 3.39Å
174	G	71.4	Confident	71.3	Confident	59 Å²	59	83 Å²	83	61%	0.608	45%	0.445	S	S	*	.			trans	66.8	-4	-179.6	0	0	0	0	0	115.5	C170 A176	C170-G174 VanDerWaalsContact O-CA 3.31Å; C170-G174 WeakPolarHBondContact O-CA 3.32Å; C170-G174 PolarHBondContact O-N 3.37Å; G174-A176 PolarHBondContact O-N 2.85Å
175	K	71.6	Confident	72.2	Confident	131 Å²	131	86 Å²	86	57%	0.57	44%	0.443	S	S	*	.			trans	-68.9	126	-177.3	-73.8	-173	177.6	180	0	111.2	C170 C173 F177	C170-K175 WeakPolarHBondContact CB-O 3.44Å; C170-K175 PolarHBondContact N-O 3.25Å; C173-K175 PolarHBondContact O-N 3.49Å; K175-F177 HydrophobicContact CB-CE2 3.91Å; K175-F177 HydrophobicContact CB-CZ 4Å; K175-F177 VanDerWaalsContact O-CE2 3.31Å; K175-F177 WeakPolarHBondContact O-CE2 3.47Å
176	A	75.3	Confident	73	Confident	28 Å²	28	80.9 Å²	80.9	23%	0.231	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.2	-179.1	0	0	0	0	0	111.3	K166 Y168 K169 G174	K166-A176 HydrophobicContact CB-CB 3.34Å; K166-A176 HydrophobicContact CD-CB 3.82Å; K166-A176 WeakPolarHBondContact CD-O 3.4Å; K166-A176 HydrophobicContact CG-CB 4.2Å; Y168-A176 CarbonylContact O-C 3.2Å; K169-A176 HydrophobicContact CG-CB 3.78Å; G174-A176 PolarHBondContact O-N 2.85Å
177	F	77.2	Confident	73.3	Confident	42 Å²	42	80.2 Å²	80.2	18%	0.184	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.3	-178.1	-58.6	-89.2	0	0	0	110.6	K166 Y168 C170 K175 R179 L183 H186	K166-F177 CarbonylContact C-O 3.35Å; K166-F177 WeakPolarHBondContact CA-O 3.26Å; Y168-F177 WeakPolarHBondContact CB-O 3.45Å; Y168-F177 PolarHBondContact N-O 3.47Å; Y168-F177 VanDerWaalsContact N-O 3.16Å; Y168-F177 PolarHBondContact O-N 3.39Å; C170-F177 HydrophobicContact CB-CE2 4.41Å; K175-F177 HydrophobicContact CB-CE2 3.91Å; K175-F177 HydrophobicContact CB-CZ 4Å; K175-F177 VanDerWaalsContact O-CE2 3.31Å; K175-F177 WeakPolarHBondContact O-CE2 3.47Å; F177-R179 VanDerWaalsContact C-N 3.29Å; F177-L183 HydrophobicContact CB-CB 4.31Å; F177-L183 HydrophobicContact CD2-CB 3.84Å; F177-L183 HydrophobicContact CD2-CD1 3.68Å; F177-L183 HydrophobicContact CD2-CG 4.35Å; F177-L183 HydrophobicContact CE2-CD1 3.83Å; F177-L183 HydrophobicContact CG-CB 4.25Å; F177-H186 HydrophobicContact CE1-CB 4.01Å; F177-H186 HydrophobicContact CE2-CB 3.79Å; F177-H186 AromaticContact CE2-CD2 3.59Å; F177-H186 AromaticContact CE2-CG 3.59Å; F177-H186 HydrophobicContact CZ-CB 3.42Å; F177-H186 VanDerWaalsContact CZ-CB 3.42Å; F177-H186 AromaticContact CZ-CD2 3.64Å; F177-H186 AromaticContact CZ-CG 3.2Å; F177-H186 AromaticContact CZ-ND1 3.5Å
178	N	69.1	Low	73.9	Confident	64 Å²	64	79 Å²	79	34%	0.342	40%	0.4	S	S	.	.	S	Bend	trans	-81.3	-6.6	175.7	60.4	4.4	0	0	0	113.4
179	R	72.8	Confident	73.9	Confident	113 Å²	113	78 Å²	78	43%	0.426	40%	0.4	S	S	.	.	S	Bend	trans	-139.4	137	-179.2	-63.5	-177.6	-179.8	169.7	-0.7	110.7	Q157 Y168 F177 T181 S182 L183	Q157-R179 VanDerWaalsContact NE2-NE 3.18Å; Y168-R179 VanDerWaalsContact CD2-C 3.45Å; F177-R179 VanDerWaalsContact C-N 3.29Å; R179-T181 VanDerWaalsContact C-N 3.32Å; R179-T181 PolarHBondContact O-N 3.36Å; R179-S182 WeakPolarHBondContact O-CB 3.49Å; R179-S182 PolarHBondContact O-N 3.01Å; R179-S182 VanDerWaalsContact O-N 3.14Å; R179-L183 PolarHBondContact O-N 3.29Å; R179-L183 VanDerWaalsContact O-N 3.15Å
180	S	72.6	Confident	74.2	Confident	56 Å²	56	74.1 Å²	74.1	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-58.2	-42.6	173.4	58.7	0	0	0	0	112	S182 L183 S184	S180-S182 VanDerWaalsContact C-N 3.26Å; S180-S182 PolarHBondContact O-N 3.31Å; S180-L183 WeakPolarHBondContact O-CB 3.4Å; S180-L183 PolarHBondContact O-N 3.11Å; S180-L183 VanDerWaalsContact O-N 3.11Å; S180-S184 PolarHBondContact O-N 3.02Å; S180-S184 PolarHBondContact O-OG 3.39Å
181	T	75.1	Confident	73.9	Confident	80 Å²	80	77.4 Å²	77.4	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-32.2	177.4	55.7	0	0	0	0	113	R179 K185	R179-T181 VanDerWaalsContact C-N 3.32Å; R179-T181 PolarHBondContact O-N 3.36Å; T181-K185 WeakPolarHBondContact O-CB 3.29Å; T181-K185 VanDerWaalsContact O-CG 3.26Å; T181-K185 WeakPolarHBondContact O-CG 3.34Å; T181-K185 PolarHBondContact O-N 3.39Å
182	S	76.4	Confident	73.9	Confident	40 Å²	40	70.1 Å²	70.1	28%	0.28	38%	0.38	S	S	.	.	H	α-helix	trans	-71.9	-41.2	174.6	-63.8	0	0	0	0	111.5	R179 S180 K185 H186	R179-S182 WeakPolarHBondContact O-CB 3.49Å; R179-S182 PolarHBondContact O-N 3.01Å; R179-S182 VanDerWaalsContact O-N 3.14Å; S180-S182 VanDerWaalsContact C-N 3.26Å; S180-S182 PolarHBondContact O-N 3.31Å; S182-K185 PolarHBondContact O-N 3.34Å; S182-H186 WeakPolarHBondContact O-CB 3.37Å; S182-H186 PolarHBondContact O-N 3.23Å
183	L	77.8	Confident	74.3	Confident	17 Å²	17	67.6 Å²	67.6	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-44.6	172.2	175.5	62.9	0	0	0	111.2	C170 F177 R179 S180 K185 H186 K187	C170-L183 HydrophobicContact CB-CD1 3.55Å; F177-L183 HydrophobicContact CB-CB 4.31Å; F177-L183 HydrophobicContact CD2-CB 3.84Å; F177-L183 HydrophobicContact CD2-CD1 3.68Å; F177-L183 HydrophobicContact CD2-CG 4.35Å; F177-L183 HydrophobicContact CE2-CD1 3.83Å; F177-L183 HydrophobicContact CG-CB 4.25Å; R179-L183 PolarHBondContact O-N 3.29Å; R179-L183 VanDerWaalsContact O-N 3.15Å; S180-L183 WeakPolarHBondContact O-CB 3.4Å; S180-L183 PolarHBondContact O-N 3.11Å; S180-L183 VanDerWaalsContact O-N 3.11Å; L183-K185 PolarHBondContact O-N 3.08Å; L183-H186 CarbonylContact O-C 3.56Å; L183-H186 WeakPolarHBondContact O-CA 3.4Å; L183-H186 WeakPolarHBondContact O-CB 3.39Å; L183-H186 PolarHBondContact O-N 3.44Å; L183-K187 HydrophobicContact CD1-CG 4.28Å; L183-K187 HydrophobicContact CG-CG 4.44Å; L183-K187 WeakPolarHBondContact O-CG 3.02Å; L183-K187 PolarHBondContact O-N 3.29Å
184	S	76.7	Confident	74.7	Confident	69 Å²	69	70.4 Å²	70.4	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-42.3	177.1	-58	0	0	0	0	112.2	S180 H186 K187	S180-S184 PolarHBondContact O-N 3.02Å; S180-S184 PolarHBondContact O-OG 3.39Å; S184-H186 VanDerWaalsContact C-N 3.26Å; S184-H186 PolarHBondContact O-N 3.26Å; S184-K187 PolarHBondContact O-N 3.38Å
185	K	77.6	Confident	75.2	Confident	114 Å²	114	70.9 Å²	70.9	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-31.5	172.4	-72.8	171.9	-173.6	178.2	0	112.3	T181 S182 L183	T181-K185 WeakPolarHBondContact O-CB 3.29Å; T181-K185 VanDerWaalsContact O-CG 3.26Å; T181-K185 WeakPolarHBondContact O-CG 3.34Å; T181-K185 PolarHBondContact O-N 3.39Å; S182-K185 PolarHBondContact O-N 3.34Å; L183-K185 PolarHBondContact O-N 3.08Å
186	H	77.9	Confident	75.6	Confident	18 Å²	18	68.4 Å²	68.4	8%	0.083	36%	0.357	C	S	.	.	H	α-helix	trans	-75.4	-37.9	176.1	176.2	78.3	0	0	0	112.7	C173 F177 S182 L183 S184 R188 I189 H190	C173-H186 PolarHBondContact SG-NE2 3.06Å; F177-H186 HydrophobicContact CE1-CB 4.01Å; F177-H186 HydrophobicContact CE2-CB 3.79Å; F177-H186 AromaticContact CE2-CD2 3.59Å; F177-H186 AromaticContact CE2-CG 3.59Å; F177-H186 HydrophobicContact CZ-CB 3.42Å; F177-H186 VanDerWaalsContact CZ-CB 3.42Å; F177-H186 AromaticContact CZ-CD2 3.64Å; F177-H186 AromaticContact CZ-CG 3.2Å; F177-H186 AromaticContact CZ-ND1 3.5Å; S182-H186 WeakPolarHBondContact O-CB 3.37Å; S182-H186 PolarHBondContact O-N 3.23Å; L183-H186 CarbonylContact O-C 3.56Å; L183-H186 WeakPolarHBondContact O-CA 3.4Å; L183-H186 WeakPolarHBondContact O-CB 3.39Å; L183-H186 PolarHBondContact O-N 3.44Å; S184-H186 VanDerWaalsContact C-N 3.26Å; S184-H186 PolarHBondContact O-N 3.26Å; H186-R188 PolarHBondContact O-N 3.4Å; H186-R188 VanDerWaalsContact O-N 3.15Å; H186-I189 WeakPolarHBondContact O-CB 3.48Å; H186-I189 WeakPolarHBondContact O-CG1 3.46Å; H186-I189 PolarHBondContact O-N 3.28Å; H186-H190 AromaticContact CD2-NE2 3.91Å; H186-H190 AromaticContact NE2-NE2 3.22Å; H186-H190 PolarHBondContact NE2-NE2 3.41Å
187	K	75.1	Confident	75.4	Confident	105 Å²	105	71 Å²	71	46%	0.457	37%	0.37	S	S	.	.	H	α-helix	trans	-56.4	-31.1	178	-77.2	-174	175.1	-170.1	0	112.4	L183 S184 I189 H190 T191	L183-K187 HydrophobicContact CD1-CG 4.28Å; L183-K187 HydrophobicContact CG-CG 4.44Å; L183-K187 WeakPolarHBondContact O-CG 3.02Å; L183-K187 PolarHBondContact O-N 3.29Å; S184-K187 PolarHBondContact O-N 3.38Å; K187-I189 PolarHBondContact O-N 3.43Å; K187-H190 PolarHBondContact O-N 3.49Å; K187-T191 PolarHBondContact O-N 3.17Å; K187-T191 VanDerWaalsContact O-N 3.13Å
188	R	79.8	Confident	75.5	Confident	65 Å²	65	69.1 Å²	69.1	25%	0.245	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-18.8	171.5	-61.5	-179.5	-177	-178.1	-2.3	114.3	H186 T191 G192 E193 R206	H186-R188 PolarHBondContact O-N 3.4Å; H186-R188 VanDerWaalsContact O-N 3.15Å; R188-T191 WeakPolarHBondContact CA-OG1 3.43Å; R188-G192 PolarHBondContact O-N 2.96Å; R188-E193 HydrophobicContact CG-CB 4.49Å; R188-R206 PolarHBondContact NH1-O 2.91Å; R188-R206 VanDerWaalsContact O-CZ 3.3Å; R188-R206 PolarHBondContact O-NE 3.37Å; R188-R206 PolarHBondContact O-NH2 2.89Å
189	I	72.3	Confident	75.9	Confident	80 Å²	80	74.6 Å²	74.6	41%	0.41	39%	0.386	S	S	.	.	H	α-helix	trans	-69	-39.4	174.1	-60.6	179.7	0	0	0	111.2	H186 K187 R206	H186-I189 WeakPolarHBondContact O-CB 3.48Å; H186-I189 WeakPolarHBondContact O-CG1 3.46Å; H186-I189 PolarHBondContact O-N 3.28Å; K187-I189 PolarHBondContact O-N 3.43Å; I189-R206 VanDerWaalsContact CA-CZ 3.49Å; I189-R206 PolarHBondContact O-NH2 2.67Å
190	H	71.9	Confident	75.9	Confident	68 Å²	68	75.5 Å²	75.5	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-86.4	-32.7	-176.9	-56.8	-54.6	0	0	0	112.8	C170 K172 C173 H186 K187	C170-H190 VanDerWaalsContact SG-CD2 3.56Å; C170-H190 PolarHBondContact SG-NE2 2.86Å; C170-H190 VanDerWaalsContact SG-NE2 3.4Å; K172-H190 HydrophobicContact CD-CB 3.77Å; C173-H190 PolarHBondContact SG-NE2 3.07Å; C173-H190 VanDerWaalsContact SG-NE2 3.39Å; H186-H190 AromaticContact CD2-NE2 3.91Å; H186-H190 AromaticContact NE2-NE2 3.22Å; H186-H190 PolarHBondContact NE2-NE2 3.41Å; K187-H190 PolarHBondContact O-N 3.49Å
191	T	71.3	Confident	75.9	Confident	73 Å²	73	75.3 Å²	75.3	45%	0.448	39%	0.393	S	S	.	.	H	α-helix	trans	-84	-12.3	179.2	61.2	0	0	0	0	113.3	K187 R188 E193	K187-T191 PolarHBondContact O-N 3.17Å; K187-T191 VanDerWaalsContact O-N 3.13Å; R188-T191 WeakPolarHBondContact CA-OG1 3.43Å; T191-E193 PolarHBondContact O-N 3.13Å; T191-E193 VanDerWaalsContact O-N 3.15Å; T191-E193 PolarHBondContact OG1-OE1 3.19Å
192	G	72.4	Confident	75.9	Confident	37 Å²	37	74.3 Å²	74.3	38%	0.381	40%	0.398	S	S	.	.			trans	77.7	-11.4	-178.4	0	0	0	0	0	114.5	R188 K194	R188-G192 PolarHBondContact O-N 2.96Å; G192-K194 WeakPolarHBondContact O-CG 3.49Å; G192-K194 PolarHBondContact O-N 2.93Å
193	E	74.8	Confident	75.8	Confident	107 Å²	107	78.5 Å²	78.5	50%	0.5	41%	0.411	S	S	.	.			trans	-50.8	123.9	-177.8	-76.5	168.8	-143.2	0	0	112.8	R188 T191 R206	R188-E193 HydrophobicContact CG-CB 4.49Å; T191-E193 PolarHBondContact O-N 3.13Å; T191-E193 VanDerWaalsContact O-N 3.15Å; T191-E193 PolarHBondContact OG1-OE1 3.19Å; E193-R206 WeakPolarHBondContact O-CG 3.47Å
194	K	80.6	Confident	76	Confident	113 Å²	113	79.2 Å²	79.2	49%	0.491	42%	0.42	S	S	.	.			trans	-125.3	78.5	178.1	-74.5	162.4	171.4	-172.8	0	109.5	G192 Y196 A204 F205 R206	G192-K194 WeakPolarHBondContact O-CG 3.49Å; G192-K194 PolarHBondContact O-N 2.93Å; K194-Y196 PolarHBondContact O-N 3.39Å; K194-Y196 VanDerWaalsContact O-N 3.09Å; K194-A204 HydrophobicContact CB-CB 3.5Å; K194-A204 VanDerWaalsContact CB-CB 3.5Å; K194-A204 HydrophobicContact CD-CB 4.02Å; K194-A204 VanDerWaalsContact CD-O 3.31Å; K194-A204 WeakPolarHBondContact CD-O 3.48Å; K194-A204 HydrophobicContact CG-CB 4.34Å; K194-F205 CarbonylContact C-O 3.58Å; K194-F205 VanDerWaalsContact CA-O 3.31Å; K194-F205 WeakPolarHBondContact CA-O 3.25Å; K194-R206 HydrophobicContact CG-CG 3.82Å
195	P	81.6	Confident	76.3	Confident	68 Å²	68	77.6 Å²	77.6	44%	0.442	40%	0.404	S	S	.	.			trans	-69.2	-8.5	-170.3	-21	34.4	0	0	0	115.3
196	Y	80	Confident	76.4	Confident	80 Å²	80	76.2 Å²	76.2	31%	0.314	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.9	-172.6	-55.8	-77.4	0	0	0	109.7	K194 A204 F205 S208	K194-Y196 PolarHBondContact O-N 3.39Å; K194-Y196 VanDerWaalsContact O-N 3.09Å; Y196-A204 CarbonylContact O-C 3.53Å; Y196-A204 WeakPolarHBondContact O-CA 3.4Å; Y196-F205 PolarHBondContact N-O 2.91Å; Y196-F205 VanDerWaalsContact N-O 3.09Å; Y196-F205 PolarHBondContact O-N 3Å; Y196-S208 VanDerWaalsContact CD2-N 3.32Å
197	T	69.4	Low	76.4	Confident	83 Å²	83	81.9 Å²	81.9	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.1	179.5	42.7	0	0	0	0	111.6	A204 L211	T197-A204 HydrophobicContact CG2-CB 3.71Å; T197-L211 WeakPolarHBondContact O-CD2 3.22Å
198	C	81.2	Confident	76.5	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.007	41%	0.411	C	S	.	.			trans	-87.4	118.6	168.6	177.4	0	0	0	0	108.6	E200 G202 K203 F205 L211 H218	C198-E200 VanDerWaalsContact C-N 3.31Å; C198-E200 PolarHBondContact O-N 2.99Å; C198-G202 WeakPolarHBondContact O-CA 3.42Å; C198-G202 PolarHBondContact O-N 3.2Å; C198-K203 WeakPolarHBondContact CB-O 3.47Å; C198-K203 PolarHBondContact N-O 2.91Å; C198-F205 HydrophobicContact CB-CE2 4.2Å; C198-L211 HydrophobicContact CB-CD1 3.54Å; C198-H218 PolarHBondContact SG-NE2 3.36Å; C198-H218 VanDerWaalsContact SG-NE2 3.36Å
199	E	76.8	Confident	76.4	Confident	180 Å²	180	80.2 Å²	80.2	84%	0.841	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.9	-179	-67.8	171.4	175	0	0	112.3
200	E	73.1	Confident	76.5	Confident	132 Å²	132	79 Å²	79	62%	0.617	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-26.4	-178.5	-69.1	172.6	142.7	0	0	114.5	C198 H218	C198-E200 VanDerWaalsContact C-N 3.31Å; C198-E200 PolarHBondContact O-N 2.99Å; E200-H218 WeakPolarHBondContact OE2-CB 3.39Å; E200-H218 IonicContact OE2-CD2 3.04Å; E200-H218 PolarHBondContact OE2-CD2 3.11Å; E200-H218 IonicContact OE2-CG 3.89Å
201	C	72.6	Confident	76.9	Confident	52 Å²	52	76.5 Å²	76.5	35%	0.351	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	7.8	-176.6	74.7	0	0	0	0	114.8	K203 H214 H218	C201-K203 PolarHBondContact O-N 2.96Å; C201-H214 PolarHBondContact SG-NE2 2.74Å; C201-H218 PolarHBondContact SG-NE2 3.05Å; C201-H218 VanDerWaalsContact SG-NE2 3.39Å
202	G	75.1	Confident	77.2	Confident	58 Å²	58	77.7 Å²	77.7	60%	0.598	41%	0.413	S	S	*	.			trans	66.5	-0.6	-179.7	0	0	0	0	0	115.5	C198 A204	C198-G202 WeakPolarHBondContact O-CA 3.42Å; C198-G202 PolarHBondContact O-N 3.2Å; G202-A204 PolarHBondContact O-N 3.12Å
203	K	73.8	Confident	77.1	Confident	129 Å²	129	79.2 Å²	79.2	56%	0.561	41%	0.41	S	S	*	.			trans	-71.3	127.2	-176.4	-73.9	-178.5	-178.6	172.9	0	111.6	C198 C201 F205	C198-K203 WeakPolarHBondContact CB-O 3.47Å; C198-K203 PolarHBondContact N-O 2.91Å; C201-K203 PolarHBondContact O-N 2.96Å; K203-F205 HydrophobicContact CB-CE2 3.9Å; K203-F205 HydrophobicContact CB-CZ 3.91Å; K203-F205 WeakPolarHBondContact O-CD2 3.48Å; K203-F205 WeakPolarHBondContact O-CE2 3.47Å
204	A	82.4	Confident	77.2	Confident	32 Å²	32	75 Å²	75	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139	-179.9	0	0	0	0	0	112.8	K194 Y196 T197 G202	K194-A204 HydrophobicContact CB-CB 3.5Å; K194-A204 VanDerWaalsContact CB-CB 3.5Å; K194-A204 HydrophobicContact CD-CB 4.02Å; K194-A204 VanDerWaalsContact CD-O 3.31Å; K194-A204 WeakPolarHBondContact CD-O 3.48Å; K194-A204 HydrophobicContact CG-CB 4.34Å; Y196-A204 CarbonylContact O-C 3.53Å; Y196-A204 WeakPolarHBondContact O-CA 3.4Å; T197-A204 HydrophobicContact CG2-CB 3.71Å; G202-A204 PolarHBondContact O-N 3.12Å
205	F	82.6	Confident	76.9	Confident	35 Å²	35	73.6 Å²	73.6	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.2	-175.9	-57.7	-86.1	0	0	0	111.8	K194 Y196 C198 K203 R207 V210 L211 H214	K194-F205 CarbonylContact C-O 3.58Å; K194-F205 VanDerWaalsContact CA-O 3.31Å; K194-F205 WeakPolarHBondContact CA-O 3.25Å; Y196-F205 PolarHBondContact N-O 2.91Å; Y196-F205 VanDerWaalsContact N-O 3.09Å; Y196-F205 PolarHBondContact O-N 3Å; C198-F205 HydrophobicContact CB-CE2 4.2Å; K203-F205 HydrophobicContact CB-CE2 3.9Å; K203-F205 HydrophobicContact CB-CZ 3.91Å; K203-F205 WeakPolarHBondContact O-CD2 3.48Å; K203-F205 WeakPolarHBondContact O-CE2 3.47Å; F205-R207 VanDerWaalsContact C-N 3.35Å; F205-V210 HydrophobicContact CD1-CB 4.31Å; F205-V210 HydrophobicContact CD1-CG1 3.59Å; F205-V210 HydrophobicContact CE1-CG1 4.14Å; F205-V210 HydrophobicContact CG-CG1 4.39Å; F205-L211 HydrophobicContact CB-CB 4.24Å; F205-L211 HydrophobicContact CD2-CB 3.79Å; F205-L211 HydrophobicContact CD2-CD1 3.59Å; F205-L211 HydrophobicContact CD2-CG 4.27Å; F205-L211 HydrophobicContact CE2-CD1 3.73Å; F205-L211 HydrophobicContact CG-CB 4.19Å; F205-H214 HydrophobicContact CE1-CB 4Å; F205-H214 HydrophobicContact CE2-CB 3.93Å; F205-H214 AromaticContact CE2-CD2 3.4Å; F205-H214 VanDerWaalsContact CE2-CD2 3.4Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.42Å; F205-H214 AromaticContact CE2-CG 3.66Å; F205-H214 HydrophobicContact CZ-CB 3.49Å; F205-H214 VanDerWaalsContact CZ-CB 3.49Å; F205-H214 AromaticContact CZ-CD2 3.37Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.43Å; F205-H214 AromaticContact CZ-CG 3.18Å; F205-H214 AromaticContact CZ-ND1 3.65Å; F205-H214 AromaticContact CZ-NE2 3.88Å
206	R	79.8	Confident	76.6	Confident	84 Å²	84	73.4 Å²	73.4	32%	0.317	38%	0.377	S	S	.	.	S	Bend	trans	-79.3	-17.7	-179.6	-59.5	-171.9	166.2	156.8	-12.5	113.7	R188 I189 E193 K194	R188-R206 PolarHBondContact NH1-O 2.91Å; R188-R206 VanDerWaalsContact O-CZ 3.3Å; R188-R206 PolarHBondContact O-NE 3.37Å; R188-R206 PolarHBondContact O-NH2 2.89Å; I189-R206 VanDerWaalsContact CA-CZ 3.49Å; I189-R206 PolarHBondContact O-NH2 2.67Å; E193-R206 WeakPolarHBondContact O-CG 3.47Å; K194-R206 HydrophobicContact CG-CG 3.82Å
207	R	78.1	Confident	76.1	Confident	137 Å²	137	74.9 Å²	74.9	52%	0.517	39%	0.389	S	S	.	.	S	Bend	trans	-139	138.9	-176	-62.1	-178.9	-175.9	176.4	1.4	109.9	F205 T209 V210 L211	F205-R207 VanDerWaalsContact C-N 3.35Å; R207-T209 VanDerWaalsContact C-N 3.31Å; R207-T209 PolarHBondContact O-N 3.28Å; R207-V210 HydrophobicContact CB-CG2 4.13Å; R207-V210 PolarHBondContact O-N 2.95Å; R207-L211 PolarHBondContact O-N 3.18Å
208	S	77.2	Confident	76.1	Confident	50 Å²	50	74.5 Å²	74.5	35%	0.35	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-35.6	177.4	54.4	0	0	0	0	113	Y196 V210 L211 N212	Y196-S208 VanDerWaalsContact CD2-N 3.32Å; S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.19Å; S208-L211 PolarHBondContact O-N 2.89Å; S208-N212 PolarHBondContact O-N 3.2Å
209	T	77.1	Confident	75.4	Confident	86 Å²	86	78.4 Å²	78.4	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-38.1	177.5	58.3	0	0	0	0	112.2	R207 N212 E213	R207-T209 VanDerWaalsContact C-N 3.31Å; R207-T209 PolarHBondContact O-N 3.28Å; T209-N212 PolarHBondContact O-N 3.49Å; T209-E213 WeakPolarHBondContact O-CG 3.41Å; T209-E213 PolarHBondContact O-N 3.46Å
210	V	75.9	Confident	74.9	Confident	54 Å²	54	72 Å²	72	33%	0.327	39%	0.388	S	S	.	.	H	α-helix	trans	-74.9	-35.7	179.7	-176.4	0	0	0	0	110.8	F205 R207 S208 E213 H214	F205-V210 HydrophobicContact CD1-CB 4.31Å; F205-V210 HydrophobicContact CD1-CG1 3.59Å; F205-V210 HydrophobicContact CE1-CG1 4.14Å; F205-V210 HydrophobicContact CG-CG1 4.39Å; R207-V210 HydrophobicContact CB-CG2 4.13Å; R207-V210 PolarHBondContact O-N 2.95Å; S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.19Å; V210-E213 PolarHBondContact O-N 2.9Å; V210-H214 VanDerWaalsContact O-CB 3.29Å; V210-H214 WeakPolarHBondContact O-CB 3.28Å; V210-H214 PolarHBondContact O-N 3.32Å
211	L	79.8	Confident	74.7	Confident	15 Å²	15	70.9 Å²	70.9	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-46.1	170.9	172.2	62.6	0	0	0	111	T197 C198 F205 R207 S208 E213 H214 K215	T197-L211 WeakPolarHBondContact O-CD2 3.22Å; C198-L211 HydrophobicContact CB-CD1 3.54Å; F205-L211 HydrophobicContact CB-CB 4.24Å; F205-L211 HydrophobicContact CD2-CB 3.79Å; F205-L211 HydrophobicContact CD2-CD1 3.59Å; F205-L211 HydrophobicContact CD2-CG 4.27Å; F205-L211 HydrophobicContact CE2-CD1 3.73Å; F205-L211 HydrophobicContact CG-CB 4.19Å; R207-L211 PolarHBondContact O-N 3.18Å; S208-L211 PolarHBondContact O-N 2.89Å; L211-E213 VanDerWaalsContact C-N 3.32Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 WeakPolarHBondContact O-CA 3.46Å; L211-H214 WeakPolarHBondContact O-CB 2.95Å; L211-H214 PolarHBondContact O-N 3.25Å; L211-K215 HydrophobicContact CD1-CG 4.3Å; L211-K215 WeakPolarHBondContact O-CG 3.37Å; L211-K215 PolarHBondContact O-N 3.4Å
212	N	76.2	Confident	74.8	Confident	98 Å²	98	73.8 Å²	73.8	52%	0.524	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-38.5	178.3	-76.4	0.3	0	0	0	112.3	S208 T209 H214 K215	S208-N212 PolarHBondContact O-N 3.2Å; T209-N212 PolarHBondContact O-N 3.49Å; N212-H214 VanDerWaalsContact C-N 3.34Å; N212-K215 PolarHBondContact O-N 3.47Å
213	E	72	Confident	74.9	Confident	69 Å²	69	74.6 Å²	74.6	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-35.9	171.8	-71.6	177.8	132.6	0	0	112.6	T209 V210 L211 K216 R235	T209-E213 WeakPolarHBondContact O-CG 3.41Å; T209-E213 PolarHBondContact O-N 3.46Å; V210-E213 PolarHBondContact O-N 2.9Å; L211-E213 VanDerWaalsContact C-N 3.32Å; L211-E213 PolarHBondContact O-N 2.87Å; E213-K216 WeakPolarHBondContact O-CB 3.42Å; E213-K216 PolarHBondContact O-N 2.93Å; E213-R235 VanDerWaalsContact CD-NH2 3.28Å; E213-R235 IonicContact OE1-CZ 3.01Å; E213-R235 IonicContact OE1-NE 2.67Å; E213-R235 PolarHBondContact OE1-NE 3.45Å; E213-R235 IonicContact OE1-NH2 3.49Å; E213-R235 PolarHBondContact OE1-NH2 3.49Å; E213-R235 IonicContact OE2-CZ 3.15Å; E213-R235 IonicContact OE2-NE 3.53Å; E213-R235 IonicContact OE2-NH2 3.19Å; E213-R235 PolarHBondContact OE2-NH2 3.42Å
214	H	76.6	Confident	75	Confident	19 Å²	19	72.8 Å²	72.8	9%	0.088	37%	0.374	C	S	.	.	H	α-helix	trans	-67.8	-38	176.2	171.9	70.8	0	0	0	112.3	C201 F205 V210 L211 N212 K216 I217 H218	C201-H214 PolarHBondContact SG-NE2 2.74Å; F205-H214 HydrophobicContact CE1-CB 4Å; F205-H214 HydrophobicContact CE2-CB 3.93Å; F205-H214 AromaticContact CE2-CD2 3.4Å; F205-H214 VanDerWaalsContact CE2-CD2 3.4Å; F205-H214 WeakPolarHBondContact CE2-CD2 3.42Å; F205-H214 AromaticContact CE2-CG 3.66Å; F205-H214 HydrophobicContact CZ-CB 3.49Å; F205-H214 VanDerWaalsContact CZ-CB 3.49Å; F205-H214 AromaticContact CZ-CD2 3.37Å; F205-H214 WeakPolarHBondContact CZ-CD2 3.43Å; F205-H214 AromaticContact CZ-CG 3.18Å; F205-H214 AromaticContact CZ-ND1 3.65Å; F205-H214 AromaticContact CZ-NE2 3.88Å; V210-H214 VanDerWaalsContact O-CB 3.29Å; V210-H214 WeakPolarHBondContact O-CB 3.28Å; V210-H214 PolarHBondContact O-N 3.32Å; L211-H214 CarbonylContact O-C 3.58Å; L211-H214 WeakPolarHBondContact O-CA 3.46Å; L211-H214 WeakPolarHBondContact O-CB 2.95Å; L211-H214 PolarHBondContact O-N 3.25Å; N212-H214 VanDerWaalsContact C-N 3.34Å; H214-K216 PolarHBondContact O-N 3.07Å; H214-I217 VanDerWaalsContact O-CB 3.22Å; H214-I217 WeakPolarHBondContact O-CB 3.18Å; H214-I217 WeakPolarHBondContact O-CG1 3.3Å; H214-I217 PolarHBondContact O-N 2.77Å; H214-H218 AromaticContact CD2-NE2 3.82Å; H214-H218 AromaticContact CE1-NE2 3.68Å; H214-H218 AromaticContact NE2-CE1 3.89Å; H214-H218 AromaticContact NE2-NE2 3.11Å; H214-H218 PolarHBondContact NE2-NE2 3.44Å; H214-H218 VanDerWaalsContact NE2-NE2 3.11Å
215	K	73.8	Confident	74.6	Confident	83 Å²	83	77.8 Å²	77.8	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-57.5	-29.9	175.4	-74.3	-172	174.4	-163.4	0	112.5	L211 N212 I217 H218 T219	L211-K215 HydrophobicContact CD1-CG 4.3Å; L211-K215 WeakPolarHBondContact O-CG 3.37Å; L211-K215 PolarHBondContact O-N 3.4Å; N212-K215 PolarHBondContact O-N 3.47Å; K215-I217 PolarHBondContact O-N 3.26Å; K215-I217 VanDerWaalsContact O-N 3.13Å; K215-H218 PolarHBondContact O-N 3.28Å; K215-T219 PolarHBondContact O-N 2.81Å
216	K	76.4	Confident	74.5	Confident	65 Å²	65	76.2 Å²	76.2	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-16.8	174	-59.4	-175.5	177.2	-168.7	0	114.2	E213 H214 T219 G220 E221	E213-K216 WeakPolarHBondContact O-CB 3.42Å; E213-K216 PolarHBondContact O-N 2.93Å; H214-K216 PolarHBondContact O-N 3.07Å; K216-T219 WeakPolarHBondContact CA-OG1 3.29Å; K216-G220 PolarHBondContact O-N 3.21Å; K216-E221 PolarHBondContact O-N 3.19Å
217	I	68.8	Low	74.3	Confident	111 Å²	111	80.3 Å²	80.3	57%	0.569	41%	0.405	S	S	*	.	H	α-helix	trans	-74.1	-37.1	174.6	-57.9	176.4	0	0	0	110.2	H214 K215	H214-I217 VanDerWaalsContact O-CB 3.22Å; H214-I217 WeakPolarHBondContact O-CB 3.18Å; H214-I217 WeakPolarHBondContact O-CG1 3.3Å; H214-I217 PolarHBondContact O-N 2.77Å; K215-I217 PolarHBondContact O-N 3.26Å; K215-I217 VanDerWaalsContact O-N 3.13Å
218	H	69.2	Low	74.1	Confident	75 Å²	75	80 Å²	80	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-77.9	-38.6	-179.6	-57.7	-50.4	0	0	0	111.8	C198 E200 C201 H214 K215 G220	C198-H218 PolarHBondContact SG-NE2 3.36Å; C198-H218 VanDerWaalsContact SG-NE2 3.36Å; E200-H218 WeakPolarHBondContact OE2-CB 3.39Å; E200-H218 IonicContact OE2-CD2 3.04Å; E200-H218 PolarHBondContact OE2-CD2 3.11Å; E200-H218 IonicContact OE2-CG 3.89Å; C201-H218 PolarHBondContact SG-NE2 3.05Å; C201-H218 VanDerWaalsContact SG-NE2 3.39Å; H214-H218 AromaticContact CD2-NE2 3.82Å; H214-H218 AromaticContact CE1-NE2 3.68Å; H214-H218 AromaticContact NE2-CE1 3.89Å; H214-H218 AromaticContact NE2-NE2 3.11Å; H214-H218 PolarHBondContact NE2-NE2 3.44Å; H214-H218 VanDerWaalsContact NE2-NE2 3.11Å; K215-H218 PolarHBondContact O-N 3.28Å; H218-G220 PolarHBondContact O-N 3.35Å
219	T	66.8	Low	73.8	Confident	83 Å²	83	80.1 Å²	80.1	51%	0.509	41%	0.41	S	S	.	.	S	Bend	trans	-76.6	-9.3	175.7	63.9	0	0	0	0	113.7	K215 K216 E221	K215-T219 PolarHBondContact O-N 2.81Å; K216-T219 WeakPolarHBondContact CA-OG1 3.29Å; T219-E221 PolarHBondContact O-N 3.36Å; T219-E221 VanDerWaalsContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CG 3.41Å
220	G	66.4	Low	73.6	Confident	46 Å²	46	78.9 Å²	78.9	47%	0.474	41%	0.414	S	S	.	.			trans	67.9	4.2	-177.1	0	0	0	0	0	114.7	K216 H218 K222	K216-G220 PolarHBondContact O-N 3.21Å; H218-G220 PolarHBondContact O-N 3.35Å; G220-K222 PolarHBondContact O-N 2.98Å
221	E	68.4	Low	73.4	Confident	108 Å²	108	82.2 Å²	82.2	51%	0.505	43%	0.425	S	S	.	.			trans	-61.3	111.3	-179.9	-76.1	-176.6	-176.4	0	0	111.1	K216 T219 P223	K216-E221 PolarHBondContact O-N 3.19Å; T219-E221 PolarHBondContact O-N 3.36Å; T219-E221 VanDerWaalsContact O-N 3.11Å; T219-E221 WeakPolarHBondContact OG1-CG 3.41Å; E221-P223 WeakPolarHBondContact O-CD 3.32Å
222	K	74.9	Confident	73.4	Confident	112 Å²	112	82.9 Å²	82.9	49%	0.487	43%	0.432	S	S	.	.			trans	-121.5	78.8	174.1	-69.4	168	175.8	-179.1	0	109.4	G220 Y224 A232 F233 T234	G220-K222 PolarHBondContact O-N 2.98Å; K222-Y224 PolarHBondContact O-N 3.4Å; K222-Y224 VanDerWaalsContact O-N 3.14Å; K222-A232 HydrophobicContact CB-CB 3.42Å; K222-A232 VanDerWaalsContact CB-CB 3.42Å; K222-A232 HydrophobicContact CD-CB 3.89Å; K222-A232 WeakPolarHBondContact CD-O 3.46Å; K222-A232 HydrophobicContact CG-CB 4.27Å; K222-F233 CarbonylContact C-O 3.5Å; K222-F233 VanDerWaalsContact C-O 3.29Å; K222-F233 WeakPolarHBondContact CA-O 3.48Å; K222-T234 HydrophobicContact CG-CG2 4.06Å
223	P	76.8	Confident	73.5	Confident	75 Å²	75	80.2 Å²	80.2	49%	0.487	42%	0.416	S	S	.	.			trans	-65.4	-19.5	-171.6	-21.5	34	0	0	0	113.8	E221	E221-P223 WeakPolarHBondContact O-CD 3.32Å
224	Y	76.6	Confident	73.5	Confident	92 Å²	92	79.2 Å²	79.2	36%	0.361	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	94.5	-172	-56.3	-75.3	0	0	0	110.1	K222 A232 F233 S236	K222-Y224 PolarHBondContact O-N 3.4Å; K222-Y224 VanDerWaalsContact O-N 3.14Å; Y224-A232 CarbonylContact O-C 3.43Å; Y224-A232 WeakPolarHBondContact O-CA 3.5Å; Y224-F233 PolarHBondContact N-O 3.4Å; Y224-F233 VanDerWaalsContact N-O 3.16Å; Y224-F233 PolarHBondContact O-N 3.34Å; Y224-S236 VanDerWaalsContact CD2-N 3.3Å
225	K	72.4	Confident	73.5	Confident	137 Å²	137	83.1 Å²	83.1	60%	0.596	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	144.2	178	-64.6	-177.4	-178.8	177.6	0	111.5	A232 L239	K225-A232 HydrophobicContact CG-CB 3.82Å; K225-L239 WeakPolarHBondContact O-CD2 3.38Å
226	C	80.6	Confident	73.6	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.007	43%	0.432	C	S	.	.			trans	-92	114	171.1	-179.1	0	0	0	0	108.8	E228 C229 G230 K231 F233 L239 H246	C226-E228 VanDerWaalsContact C-N 3.26Å; C226-E228 PolarHBondContact O-N 3.46Å; C226-C229 PolarHBondContact O-N 3.2Å; C226-C229 VanDerWaalsContact SG-SG 3.62Å; C226-G230 VanDerWaalsContact O-CA 3.26Å; C226-G230 WeakPolarHBondContact O-CA 3.43Å; C226-G230 PolarHBondContact O-N 2.82Å; C226-K231 WeakPolarHBondContact CB-O 3.46Å; C226-K231 PolarHBondContact N-O 3.16Å; C226-F233 HydrophobicContact CB-CE2 4.27Å; C226-L239 HydrophobicContact CB-CD1 3.52Å; C226-H246 PolarHBondContact SG-NE2 3.17Å; C226-H246 VanDerWaalsContact SG-NE2 3.37Å
227	E	75.9	Confident	73.6	Confident	170 Å²	170	83.1 Å²	83.1	79%	0.794	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.5	-179.4	-56.9	-51.9	137.2	0	0	113.2
228	E	73.8	Confident	74	Confident	130 Å²	130	79.9 Å²	79.9	61%	0.607	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.5	-177.8	-71.4	173.6	138.9	0	0	114.5	C226 H246	C226-E228 VanDerWaalsContact C-N 3.26Å; C226-E228 PolarHBondContact O-N 3.46Å; E228-H246 WeakPolarHBondContact OE2-CB 3.5Å; E228-H246 IonicContact OE2-CD2 3.98Å; E228-H246 PolarHBondContact OE2-CD2 3.31Å; E228-H246 IonicContact OE2-CG 3.05Å
229	C	72.1	Confident	74.5	Confident	54 Å²	54	77.2 Å²	77.2	37%	0.365	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	5.4	-175.2	75.9	0	0	0	0	114.7	C226 K231 H242 H246	C226-C229 PolarHBondContact O-N 3.2Å; C226-C229 VanDerWaalsContact SG-SG 3.62Å; C229-K231 PolarHBondContact O-N 3.17Å; C229-K231 VanDerWaalsContact SG-CB 3.6Å; C229-H242 PolarHBondContact SG-NE2 3.48Å; C229-H246 PolarHBondContact SG-NE2 3.14Å
230	G	72.4	Confident	75	Confident	59 Å²	59	78.2 Å²	78.2	61%	0.608	42%	0.419	S	S	*	.			trans	67.1	-0.6	-179	0	0	0	0	0	115.3	C226 A232	C226-G230 VanDerWaalsContact O-CA 3.26Å; C226-G230 WeakPolarHBondContact O-CA 3.43Å; C226-G230 PolarHBondContact O-N 2.82Å; G230-A232 PolarHBondContact O-N 3.04Å
231	K	72.4	Confident	75.5	Confident	125 Å²	125	81.1 Å²	81.1	54%	0.543	42%	0.421	S	S	.	.			trans	-70.6	127.8	-177.6	-73.4	-176.7	178.5	177.9	0	111.1	C226 C229 F233	C226-K231 WeakPolarHBondContact CB-O 3.46Å; C226-K231 PolarHBondContact N-O 3.16Å; C229-K231 PolarHBondContact O-N 3.17Å; C229-K231 VanDerWaalsContact SG-CB 3.6Å; K231-F233 HydrophobicContact CB-CE2 3.86Å; K231-F233 HydrophobicContact CB-CZ 3.98Å; K231-F233 WeakPolarHBondContact O-CD2 3.48Å; K231-F233 VanDerWaalsContact O-CE2 3.28Å; K231-F233 WeakPolarHBondContact O-CE2 3.35Å
232	A	78.5	Confident	76	Confident	29 Å²	29	77 Å²	77	24%	0.24	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.6	-180	0	0	0	0	0	111.7	K222 Y224 K225 G230	K222-A232 HydrophobicContact CB-CB 3.42Å; K222-A232 VanDerWaalsContact CB-CB 3.42Å; K222-A232 HydrophobicContact CD-CB 3.89Å; K222-A232 WeakPolarHBondContact CD-O 3.46Å; K222-A232 HydrophobicContact CG-CB 4.27Å; Y224-A232 CarbonylContact O-C 3.43Å; Y224-A232 WeakPolarHBondContact O-CA 3.5Å; K225-A232 HydrophobicContact CG-CB 3.82Å; G230-A232 PolarHBondContact O-N 3.04Å
233	F	78.8	Confident	76.1	Confident	42 Å²	42	76 Å²	76	18%	0.184	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.7	-176.4	-59.4	-90.2	0	0	0	111.2	K222 Y224 C226 K231 L239 H242	K222-F233 CarbonylContact C-O 3.5Å; K222-F233 VanDerWaalsContact C-O 3.29Å; K222-F233 WeakPolarHBondContact CA-O 3.48Å; Y224-F233 PolarHBondContact N-O 3.4Å; Y224-F233 VanDerWaalsContact N-O 3.16Å; Y224-F233 PolarHBondContact O-N 3.34Å; C226-F233 HydrophobicContact CB-CE2 4.27Å; K231-F233 HydrophobicContact CB-CE2 3.86Å; K231-F233 HydrophobicContact CB-CZ 3.98Å; K231-F233 WeakPolarHBondContact O-CD2 3.48Å; K231-F233 VanDerWaalsContact O-CE2 3.28Å; K231-F233 WeakPolarHBondContact O-CE2 3.35Å; F233-L239 HydrophobicContact CB-CB 4.26Å; F233-L239 HydrophobicContact CD2-CB 3.85Å; F233-L239 HydrophobicContact CD2-CD1 3.65Å; F233-L239 HydrophobicContact CD2-CG 4.34Å; F233-L239 HydrophobicContact CE2-CD1 3.79Å; F233-L239 HydrophobicContact CG-CB 4.19Å; F233-H242 HydrophobicContact CE1-CB 3.94Å; F233-H242 HydrophobicContact CE2-CB 3.9Å; F233-H242 AromaticContact CE2-CD2 3.6Å; F233-H242 AromaticContact CE2-CG 3.67Å; F233-H242 HydrophobicContact CZ-CB 3.44Å; F233-H242 VanDerWaalsContact CZ-CB 3.44Å; F233-H242 AromaticContact CZ-CD2 3.56Å; F233-H242 AromaticContact CZ-CG 3.19Å; F233-H242 AromaticContact CZ-ND1 3.54Å
234	T	72.7	Confident	76.1	Confident	47 Å²	47	75.3 Å²	75.3	29%	0.288	39%	0.386	S	S	.	.	S	Bend	trans	-80.8	-18.8	178.2	54.7	0	0	0	0	112.9	K222	K222-T234 HydrophobicContact CG-CG2 4.06Å
235	R	75.8	Confident	75.9	Confident	102 Å²	102	74.4 Å²	74.4	39%	0.385	39%	0.387	S	S	.	.	S	Bend	trans	-131	144.9	178.7	-61.9	-179.7	175.4	147.5	3.8	112.1	E213 T237 T238 L239	E213-R235 VanDerWaalsContact CD-NH2 3.28Å; E213-R235 IonicContact OE1-CZ 3.01Å; E213-R235 IonicContact OE1-NE 2.67Å; E213-R235 PolarHBondContact OE1-NE 3.45Å; E213-R235 IonicContact OE1-NH2 3.49Å; E213-R235 PolarHBondContact OE1-NH2 3.49Å; E213-R235 IonicContact OE2-CZ 3.15Å; E213-R235 IonicContact OE2-NE 3.53Å; E213-R235 IonicContact OE2-NH2 3.19Å; E213-R235 PolarHBondContact OE2-NH2 3.42Å; R235-T237 VanDerWaalsContact C-N 3.33Å; R235-T237 PolarHBondContact O-N 3.15Å; R235-T238 HydrophobicContact CB-CG2 4.37Å; R235-T238 PolarHBondContact O-N 2.79Å; R235-T238 PolarHBondContact O-OG1 2.77Å; R235-L239 PolarHBondContact O-N 3.35Å
236	S	75.8	Confident	75.9	Confident	61 Å²	61	71.1 Å²	71.1	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-36.2	174.8	61.9	0	0	0	0	112.5	Y224 T238 L239 N240	Y224-S236 VanDerWaalsContact CD2-N 3.3Å; S236-T238 VanDerWaalsContact C-N 3.35Å; S236-T238 PolarHBondContact O-N 3.05Å; S236-L239 PolarHBondContact O-N 3.19Å; S236-N240 WeakPolarHBondContact O-CB 3.4Å; S236-N240 PolarHBondContact O-N 2.82Å
237	T	77.2	Confident	75.4	Confident	87 Å²	87	74.8 Å²	74.8	53%	0.534	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-42.2	177.7	51.6	0	0	0	0	112	R235 N240 E241	R235-T237 VanDerWaalsContact C-N 3.33Å; R235-T237 PolarHBondContact O-N 3.15Å; T237-N240 PolarHBondContact O-N 3.08Å; T237-E241 WeakPolarHBondContact O-CG 3.43Å; T237-E241 PolarHBondContact O-N 2.98Å
238	T	77.1	Confident	75	Confident	43 Å²	43	68.5 Å²	68.5	26%	0.264	38%	0.377	S	S	.	.	H	α-helix	trans	-69.7	-35	176.9	50.3	0	0	0	0	112.6	R235 S236 H242	R235-T238 HydrophobicContact CB-CG2 4.37Å; R235-T238 PolarHBondContact O-N 2.79Å; R235-T238 PolarHBondContact O-OG1 2.77Å; S236-T238 VanDerWaalsContact C-N 3.35Å; S236-T238 PolarHBondContact O-N 3.05Å; T238-H242 VanDerWaalsContact O-CB 3.31Å; T238-H242 WeakPolarHBondContact O-CB 3.27Å; T238-H242 PolarHBondContact O-N 2.91Å
239	L	79.7	Confident	75	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-43	170.4	171.6	63.5	0	0	0	110.6	K225 C226 F233 R235 S236 E241 H242 K243	K225-L239 WeakPolarHBondContact O-CD2 3.38Å; C226-L239 HydrophobicContact CB-CD1 3.52Å; F233-L239 HydrophobicContact CB-CB 4.26Å; F233-L239 HydrophobicContact CD2-CB 3.85Å; F233-L239 HydrophobicContact CD2-CD1 3.65Å; F233-L239 HydrophobicContact CD2-CG 4.34Å; F233-L239 HydrophobicContact CE2-CD1 3.79Å; F233-L239 HydrophobicContact CG-CB 4.19Å; R235-L239 PolarHBondContact O-N 3.35Å; S236-L239 PolarHBondContact O-N 3.19Å; L239-E241 PolarHBondContact O-N 3.39Å; L239-H242 CarbonylContact O-C 3.28Å; L239-H242 WeakPolarHBondContact O-CA 3.36Å; L239-H242 WeakPolarHBondContact O-CB 3.34Å; L239-H242 PolarHBondContact O-N 3.42Å; L239-H242 VanDerWaalsContact O-N 3.1Å; L239-K243 HydrophobicContact CD1-CG 4.33Å; L239-K243 WeakPolarHBondContact O-CG 3.48Å; L239-K243 PolarHBondContact O-N 2.87Å
240	N	77	Confident	75.3	Confident	104 Å²	104	70.4 Å²	70.4	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-66.6	-37.4	-179.9	-155.2	35.6	0	0	0	112.1	S236 T237 H242 K243	S236-N240 WeakPolarHBondContact O-CB 3.4Å; S236-N240 PolarHBondContact O-N 2.82Å; T237-N240 PolarHBondContact O-N 3.08Å; N240-H242 VanDerWaalsContact C-N 3.34Å; N240-K243 PolarHBondContact O-N 3.39Å
241	E	76.6	Confident	75.7	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-37.1	169.5	-72.9	179.9	166.8	0	0	112.4	T237 L239 K244	T237-E241 WeakPolarHBondContact O-CG 3.43Å; T237-E241 PolarHBondContact O-N 2.98Å; L239-E241 PolarHBondContact O-N 3.39Å; E241-K244 WeakPolarHBondContact O-CB 3.45Å; E241-K244 PolarHBondContact O-N 3.1Å
242	H	78.7	Confident	76.1	Confident	20 Å²	20	69.4 Å²	69.4	9%	0.093	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-37.6	174.7	177	75.8	0	0	0	112.6	C229 F233 T238 L239 N240 K244 I245 H246	C229-H242 PolarHBondContact SG-NE2 3.48Å; F233-H242 HydrophobicContact CE1-CB 3.94Å; F233-H242 HydrophobicContact CE2-CB 3.9Å; F233-H242 AromaticContact CE2-CD2 3.6Å; F233-H242 AromaticContact CE2-CG 3.67Å; F233-H242 HydrophobicContact CZ-CB 3.44Å; F233-H242 VanDerWaalsContact CZ-CB 3.44Å; F233-H242 AromaticContact CZ-CD2 3.56Å; F233-H242 AromaticContact CZ-CG 3.19Å; F233-H242 AromaticContact CZ-ND1 3.54Å; T238-H242 VanDerWaalsContact O-CB 3.31Å; T238-H242 WeakPolarHBondContact O-CB 3.27Å; T238-H242 PolarHBondContact O-N 2.91Å; L239-H242 CarbonylContact O-C 3.28Å; L239-H242 WeakPolarHBondContact O-CA 3.36Å; L239-H242 WeakPolarHBondContact O-CB 3.34Å; L239-H242 PolarHBondContact O-N 3.42Å; L239-H242 VanDerWaalsContact O-N 3.1Å; N240-H242 VanDerWaalsContact C-N 3.34Å; H242-K244 PolarHBondContact O-N 3.4Å; H242-I245 WeakPolarHBondContact O-CA 3.46Å; H242-I245 WeakPolarHBondContact O-CB 3.22Å; H242-I245 WeakPolarHBondContact O-CG1 3.35Å; H242-I245 PolarHBondContact O-N 3.47Å; H242-H246 AromaticContact CD2-NE2 3.88Å; H242-H246 AromaticContact NE2-CE1 3.93Å; H242-H246 AromaticContact NE2-NE2 3.24Å; H242-H246 PolarHBondContact NE2-NE2 3.44Å
243	K	76.3	Confident	76.1	Confident	91 Å²	91	75.1 Å²	75.1	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-29.2	176.6	-76.1	-174.5	175.7	-168.1	0	112.7	L239 N240 I245 H246 T247	L239-K243 HydrophobicContact CD1-CG 4.33Å; L239-K243 WeakPolarHBondContact O-CG 3.48Å; L239-K243 PolarHBondContact O-N 2.87Å; N240-K243 PolarHBondContact O-N 3.39Å; K243-I245 PolarHBondContact O-N 2.76Å; K243-H246 PolarHBondContact O-N 3.16Å; K243-T247 PolarHBondContact O-N 3.26Å; K243-T247 PolarHBondContact O-OG1 3.18Å
244	K	78.4	Confident	76.5	Confident	62 Å²	62	73.3 Å²	73.3	27%	0.27	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.8	171	-59.1	179.9	-179.3	-179.1	0	113	E241 H242 T247 R262	E241-K244 WeakPolarHBondContact O-CB 3.45Å; E241-K244 PolarHBondContact O-N 3.1Å; H242-K244 PolarHBondContact O-N 3.4Å; K244-T247 WeakPolarHBondContact CA-OG1 3.36Å; K244-R262 HydrophobicContact CB-CG 4.19Å; K244-R262 PolarHBondContact O-NE 2.96Å; K244-R262 PolarHBondContact O-NH2 3.27Å
245	I	72.6	Confident	76.8	Confident	72 Å²	72	81.1 Å²	81.1	37%	0.369	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-45.5	174.8	-56.7	-175.9	0	0	0	111.7	H242 K243 R262	H242-I245 WeakPolarHBondContact O-CA 3.46Å; H242-I245 WeakPolarHBondContact O-CB 3.22Å; H242-I245 WeakPolarHBondContact O-CG1 3.35Å; H242-I245 PolarHBondContact O-N 3.47Å; K243-I245 PolarHBondContact O-N 2.76Å; I245-R262 VanDerWaalsContact CA-NH2 3.32Å; I245-R262 PolarHBondContact O-NH2 2.8Å
246	H	71.3	Confident	76.9	Confident	68 Å²	68	82.3 Å²	82.3	32%	0.315	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-39.7	-174.5	-57.1	-50	0	0	0	112.1	C226 E228 C229 H242 K243 G248	C226-H246 PolarHBondContact SG-NE2 3.17Å; C226-H246 VanDerWaalsContact SG-NE2 3.37Å; E228-H246 WeakPolarHBondContact OE2-CB 3.5Å; E228-H246 IonicContact OE2-CD2 3.98Å; E228-H246 PolarHBondContact OE2-CD2 3.31Å; E228-H246 IonicContact OE2-CG 3.05Å; C229-H246 PolarHBondContact SG-NE2 3.14Å; H242-H246 AromaticContact CD2-NE2 3.88Å; H242-H246 AromaticContact NE2-CE1 3.93Å; H242-H246 AromaticContact NE2-NE2 3.24Å; H242-H246 PolarHBondContact NE2-NE2 3.44Å; K243-H246 PolarHBondContact O-N 3.16Å; H246-G248 PolarHBondContact O-N 2.85Å; H246-G248 VanDerWaalsContact O-N 3.1Å
247	T	69.9	Low	77.1	Confident	78 Å²	78	81.9 Å²	81.9	48%	0.479	41%	0.412	S	S	.	.	S	Bend	trans	-68	-11	177.5	59.8	0	0	0	0	113.9	K243 K244 E249	K243-T247 PolarHBondContact O-N 3.26Å; K243-T247 PolarHBondContact O-OG1 3.18Å; K244-T247 WeakPolarHBondContact CA-OG1 3.36Å; T247-E249 PolarHBondContact O-N 3.29Å
248	G	68.3	Low	77.1	Confident	39 Å²	39	80.5 Å²	80.5	40%	0.402	41%	0.414	S	S	.	.			trans	65.7	3.1	-178.2	0	0	0	0	0	114.4	H246 K250	H246-G248 PolarHBondContact O-N 2.85Å; H246-G248 VanDerWaalsContact O-N 3.1Å; G248-K250 PolarHBondContact O-N 2.91Å
249	E	72.8	Confident	77.2	Confident	106 Å²	106	84.5 Å²	84.5	50%	0.495	43%	0.428	S	S	.	.			trans	-58.1	127.4	-176.9	-74.3	-178.5	-176.8	0	0	111.2	T247 P251	T247-E249 PolarHBondContact O-N 3.29Å; E249-P251 WeakPolarHBondContact O-CD 3.47Å
250	K	79.1	Confident	77.4	Confident	117 Å²	117	85.1 Å²	85.1	51%	0.509	44%	0.436	S	S	.	.			trans	-124.4	76.3	176	-70.6	167.5	177.2	179.6	0	109.5	G248 Y252 A260 F261	G248-K250 PolarHBondContact O-N 2.91Å; K250-Y252 PolarHBondContact O-N 2.94Å; K250-A260 HydrophobicContact CB-CB 3.5Å; K250-A260 HydrophobicContact CD-CB 4.08Å; K250-A260 WeakPolarHBondContact CD-O 3.43Å; K250-A260 HydrophobicContact CG-CB 4.39Å; K250-F261 CarbonylContact C-O 3.2Å; K250-F261 VanDerWaalsContact C-O 3.24Å; K250-F261 VanDerWaalsContact CA-O 3.3Å; K250-F261 WeakPolarHBondContact CA-O 3.39Å
251	P	80.8	Confident	77.7	Confident	75 Å²	75	82 Å²	82	49%	0.487	42%	0.418	S	S	.	.			trans	-65.6	-22	-172.5	-21.6	34.5	0	0	0	113.6	E249	E249-P251 WeakPolarHBondContact O-CD 3.47Å
252	Y	81.3	Confident	77.9	Confident	88 Å²	88	79.7 Å²	79.7	35%	0.345	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	93.9	-170.6	-56.9	-80	0	0	0	110.5	K250 A260 F261 R262	K250-Y252 PolarHBondContact O-N 2.94Å; Y252-A260 CarbonylContact O-C 3.57Å; Y252-F261 WeakPolarHBondContact CB-O 3.48Å; Y252-F261 PolarHBondContact N-O 3.13Å; Y252-F261 PolarHBondContact O-N 3.37Å; Y252-R262 WeakPolarHBondContact CD2-O 3.3Å; Y252-R262 WeakPolarHBondContact CE2-O 3.38Å
253	K	79.2	Confident	78	Confident	150 Å²	150	84.7 Å²	84.7	65%	0.652	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	135	179.2	-62.2	-175.3	-178.3	178.6	0	112	A260	K253-A260 HydrophobicContact CG-CB 3.85Å
254	C	85.4	Confident	78.2	Confident	3 Å²	3	83.3 Å²	83.3	2%	0.02	42%	0.424	C	S	.	.			trans	-76.3	123.8	169.1	-178.5	0	0	0	0	109.3	E256 G258 K259 F261 L267	C254-E256 VanDerWaalsContact C-N 3.32Å; C254-E256 PolarHBondContact O-N 3.04Å; C254-G258 VanDerWaalsContact O-CA 3.22Å; C254-G258 WeakPolarHBondContact O-CA 3.21Å; C254-G258 PolarHBondContact O-N 3.15Å; C254-K259 WeakPolarHBondContact CB-O 3.5Å; C254-K259 PolarHBondContact N-O 3.07Å; C254-F261 HydrophobicContact CB-CE2 4.32Å; C254-L267 HydrophobicContact CB-CD1 3.6Å
255	K	80	Confident	78.3	Confident	212 Å²	212	84.5 Å²	84.5	92%	0.922	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.7	179.5	-64.9	-172.3	177.5	-174	0	113.1
256	E	77.6	Confident	78.8	Confident	127 Å²	127	82.8 Å²	82.8	59%	0.593	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-33.1	-174.6	-68.2	166.9	163.6	0	0	113.6	C254 H274	C254-E256 VanDerWaalsContact C-N 3.32Å; C254-E256 PolarHBondContact O-N 3.04Å; E256-H274 WeakPolarHBondContact OE2-CB 3.42Å; E256-H274 IonicContact OE2-CD2 3.6Å; E256-H274 PolarHBondContact OE2-CD2 2.75Å; E256-H274 IonicContact OE2-CG 3.49Å; E256-H274 IonicContact OE2-NE2 3.17Å
257	C	79	Confident	79.4	Confident	52 Å²	52	80.5 Å²	80.5	35%	0.351	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	5.5	-176.4	73.9	0	0	0	0	114.2	K259 H270 H274	C257-K259 PolarHBondContact O-N 3.37Å; C257-H270 PolarHBondContact SG-NE2 3.43Å; C257-H274 PolarHBondContact SG-NE2 3.4Å; C257-H274 VanDerWaalsContact SG-NE2 3.42Å
258	G	78.7	Confident	80	Confident	57 Å²	57	81.6 Å²	81.6	59%	0.588	42%	0.424	S	S	*	.			trans	68.6	-5.5	-179.8	0	0	0	0	0	115.6	C254 A260	C254-G258 VanDerWaalsContact O-CA 3.22Å; C254-G258 WeakPolarHBondContact O-CA 3.21Å; C254-G258 PolarHBondContact O-N 3.15Å; G258-A260 PolarHBondContact O-N 3.01Å
259	K	78.2	Confident	80.7	Confident	127 Å²	127	84 Å²	84	55%	0.552	43%	0.425	S	S	*	.			trans	-65.9	131.7	-177.8	-72.5	-177.2	179.4	177.3	0	111.5	C254 C257 F261	C254-K259 WeakPolarHBondContact CB-O 3.5Å; C254-K259 PolarHBondContact N-O 3.07Å; C257-K259 PolarHBondContact O-N 3.37Å; K259-F261 HydrophobicContact CB-CE2 3.91Å; K259-F261 HydrophobicContact CB-CZ 4.04Å; K259-F261 WeakPolarHBondContact O-CE2 2.82Å
260	A	84.9	Confident	81.2	Confident	31 Å²	31	79.9 Å²	79.9	26%	0.256	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.1	-178.9	0	0	0	0	0	111.8	K250 Y252 K253 G258	K250-A260 HydrophobicContact CB-CB 3.5Å; K250-A260 HydrophobicContact CD-CB 4.08Å; K250-A260 WeakPolarHBondContact CD-O 3.43Å; K250-A260 HydrophobicContact CG-CB 4.39Å; Y252-A260 CarbonylContact O-C 3.57Å; K253-A260 HydrophobicContact CG-CB 3.85Å; G258-A260 PolarHBondContact O-N 3.01Å
261	F	82.7	Confident	81.4	Confident	40 Å²	40	78.7 Å²	78.7	18%	0.175	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.2	-178.3	-59	-89.8	0	0	0	110.7	K250 Y252 C254 K259 L267 H270	K250-F261 CarbonylContact C-O 3.2Å; K250-F261 VanDerWaalsContact C-O 3.24Å; K250-F261 VanDerWaalsContact CA-O 3.3Å; K250-F261 WeakPolarHBondContact CA-O 3.39Å; Y252-F261 WeakPolarHBondContact CB-O 3.48Å; Y252-F261 PolarHBondContact N-O 3.13Å; Y252-F261 PolarHBondContact O-N 3.37Å; C254-F261 HydrophobicContact CB-CE2 4.32Å; K259-F261 HydrophobicContact CB-CE2 3.91Å; K259-F261 HydrophobicContact CB-CZ 4.04Å; K259-F261 WeakPolarHBondContact O-CE2 2.82Å; F261-L267 HydrophobicContact CB-CB 4.21Å; F261-L267 HydrophobicContact CD2-CB 3.87Å; F261-L267 HydrophobicContact CD2-CD1 3.66Å; F261-L267 HydrophobicContact CD2-CG 4.36Å; F261-L267 HydrophobicContact CE2-CD1 3.87Å; F261-L267 HydrophobicContact CG-CB 4.2Å; F261-H270 HydrophobicContact CE1-CB 3.88Å; F261-H270 HydrophobicContact CE2-CB 3.8Å; F261-H270 AromaticContact CE2-CD2 3.5Å; F261-H270 AromaticContact CE2-CG 3.59Å; F261-H270 HydrophobicContact CZ-CB 3.39Å; F261-H270 AromaticContact CZ-CD2 3.5Å; F261-H270 VanDerWaalsContact CZ-CD2 3.5Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.28Å; F261-H270 AromaticContact CZ-CG 3.14Å; F261-H270 AromaticContact CZ-ND1 3.52Å
262	R	79.9	Confident	81.5	Confident	59 Å²	59	75.8 Å²	75.8	22%	0.223	38%	0.381	C	S	.	.	S	Bend	trans	-75.6	-28.5	177.8	-177.2	171.3	-71.7	150.8	-5.8	112.9	K244 I245 Y252	K244-R262 HydrophobicContact CB-CG 4.19Å; K244-R262 PolarHBondContact O-NE 2.96Å; K244-R262 PolarHBondContact O-NH2 3.27Å; I245-R262 VanDerWaalsContact CA-NH2 3.32Å; I245-R262 PolarHBondContact O-NH2 2.8Å; Y252-R262 WeakPolarHBondContact CD2-O 3.3Å; Y252-R262 WeakPolarHBondContact CE2-O 3.38Å
263	W	80.8	Confident	81.5	Confident	124 Å²	124	75.5 Å²	75.5	47%	0.47	39%	0.385	S	S	.	.	S	Bend	trans	-126.8	146.2	-177.7	-55.7	-47.8	0	0	0	111.5	T265 S266 L267	W263-T265 VanDerWaalsContact C-N 3.31Å; W263-T265 PolarHBondContact O-N 3.24Å; W263-S266 PolarHBondContact O-N 3.47Å; W263-L267 PolarHBondContact O-N 2.98Å
264	S	81.3	Confident	81.5	Confident	63 Å²	63	72 Å²	72	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-36.1	177.4	56.2	0	0	0	0	112.3	S266 L267 N268	S264-S266 PolarHBondContact O-N 2.92Å; S264-L267 PolarHBondContact O-N 3.34Å; S264-N268 PolarHBondContact O-N 2.82Å
265	T	81.1	Confident	81.1	Confident	87 Å²	87	75.4 Å²	75.4	53%	0.534	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-43.8	175.8	50.1	0	0	0	0	111.7	W263 N268 E269	W263-T265 VanDerWaalsContact C-N 3.31Å; W263-T265 PolarHBondContact O-N 3.24Å; T265-N268 PolarHBondContact O-N 3.29Å; T265-E269 WeakPolarHBondContact O-CG 3.36Å; T265-E269 PolarHBondContact O-N 3.41Å
266	S	82.4	Confident	81	Confident	36 Å²	36	67 Å²	67	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-37.6	176.4	-53.8	0	0	0	0	112.7	W263 S264 H270	W263-S266 PolarHBondContact O-N 3.47Å; S264-S266 PolarHBondContact O-N 2.92Å; S266-H270 VanDerWaalsContact O-CB 3.3Å; S266-H270 WeakPolarHBondContact O-CB 3.31Å; S266-H270 PolarHBondContact O-N 3.41Å
267	L	85.1	Confident	81.1	Confident	20 Å²	20	66.4 Å²	66.4	11%	0.105	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-42.1	171.9	173	62.6	0	0	0	111	C254 F261 W263 S264 H270 K271	C254-L267 HydrophobicContact CB-CD1 3.6Å; F261-L267 HydrophobicContact CB-CB 4.21Å; F261-L267 HydrophobicContact CD2-CB 3.87Å; F261-L267 HydrophobicContact CD2-CD1 3.66Å; F261-L267 HydrophobicContact CD2-CG 4.36Å; F261-L267 HydrophobicContact CE2-CD1 3.87Å; F261-L267 HydrophobicContact CG-CB 4.2Å; W263-L267 PolarHBondContact O-N 2.98Å; S264-L267 PolarHBondContact O-N 3.34Å; L267-H270 WeakPolarHBondContact O-CB 3.46Å; L267-H270 PolarHBondContact O-N 2.96Å; L267-K271 HydrophobicContact CD1-CG 4.47Å; L267-K271 WeakPolarHBondContact O-CG 3.37Å; L267-K271 PolarHBondContact O-N 3.42Å
268	N	82.1	Confident	81.3	Confident	100 Å²	100	69.1 Å²	69.1	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-43.7	179.5	-159.6	64.1	0	0	0	111.7	S264 T265 H270 K271 N272	S264-N268 PolarHBondContact O-N 2.82Å; T265-N268 PolarHBondContact O-N 3.29Å; N268-H270 VanDerWaalsContact C-N 3.27Å; N268-H270 PolarHBondContact O-N 3.42Å; N268-K271 PolarHBondContact O-N 3.27Å; N268-N272 PolarHBondContact O-OD1 2.97Å
269	E	82.3	Confident	81.6	Confident	90 Å²	90	70 Å²	70	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-36.4	171.8	-71.8	-177.4	-168.5	0	0	112.5	T265 N272 Q291	T265-E269 WeakPolarHBondContact O-CG 3.36Å; T265-E269 PolarHBondContact O-N 3.41Å; E269-N272 WeakPolarHBondContact O-CB 3.35Å; E269-N272 PolarHBondContact O-N 2.95Å; E269-Q291 PolarHBondContact OE2-NE2 3.45Å
270	H	83.6	Confident	81.9	Confident	19 Å²	19	68.4 Å²	68.4	9%	0.088	36%	0.355	C	S	.	.	H	α-helix	trans	-67.2	-37.4	176.2	177.1	71.6	0	0	0	112.7	C257 F261 S266 L267 N268 N272 I273 H274	C257-H270 PolarHBondContact SG-NE2 3.43Å; F261-H270 HydrophobicContact CE1-CB 3.88Å; F261-H270 HydrophobicContact CE2-CB 3.8Å; F261-H270 AromaticContact CE2-CD2 3.5Å; F261-H270 AromaticContact CE2-CG 3.59Å; F261-H270 HydrophobicContact CZ-CB 3.39Å; F261-H270 AromaticContact CZ-CD2 3.5Å; F261-H270 VanDerWaalsContact CZ-CD2 3.5Å; F261-H270 WeakPolarHBondContact CZ-CD2 3.28Å; F261-H270 AromaticContact CZ-CG 3.14Å; F261-H270 AromaticContact CZ-ND1 3.52Å; S266-H270 VanDerWaalsContact O-CB 3.3Å; S266-H270 WeakPolarHBondContact O-CB 3.31Å; S266-H270 PolarHBondContact O-N 3.41Å; L267-H270 WeakPolarHBondContact O-CB 3.46Å; L267-H270 PolarHBondContact O-N 2.96Å; N268-H270 VanDerWaalsContact C-N 3.27Å; N268-H270 PolarHBondContact O-N 3.42Å; H270-N272 PolarHBondContact O-N 3.45Å; H270-I273 WeakPolarHBondContact O-CB 3.21Å; H270-I273 VanDerWaalsContact O-CG1 3.29Å; H270-I273 WeakPolarHBondContact O-CG1 3.46Å; H270-I273 PolarHBondContact O-N 3.44Å; H270-H274 AromaticContact CD2-NE2 3.82Å; H270-H274 AromaticContact CE1-NE2 3.92Å; H270-H274 AromaticContact NE2-CE1 3.93Å; H270-H274 AromaticContact NE2-NE2 3.15Å; H270-H274 PolarHBondContact NE2-NE2 2.92Å; H270-H274 VanDerWaalsContact NE2-NE2 3.15Å
271	K	82.5	Confident	81.9	Confident	93 Å²	93	74 Å²	74	40%	0.404	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-31.6	177.3	-75.7	-179.4	176	-171.6	0	112.7	L267 N268 I273 H274 T275	L267-K271 HydrophobicContact CD1-CG 4.47Å; L267-K271 WeakPolarHBondContact O-CG 3.37Å; L267-K271 PolarHBondContact O-N 3.42Å; N268-K271 PolarHBondContact O-N 3.27Å; K271-I273 PolarHBondContact O-N 3.14Å; K271-H274 PolarHBondContact O-N 3.17Å; K271-T275 PolarHBondContact O-N 3.4Å; K271-T275 VanDerWaalsContact O-N 3.08Å; K271-T275 PolarHBondContact O-OG1 2.98Å
272	N	84.1	Confident	82.1	Confident	14 Å²	14	72.2 Å²	72.2	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-15.8	173.9	-58.9	-10.9	0	0	0	113.2	N268 E269 H270 T275 G276 R290	N268-N272 PolarHBondContact O-OD1 2.97Å; E269-N272 WeakPolarHBondContact O-CB 3.35Å; E269-N272 PolarHBondContact O-N 2.95Å; H270-N272 PolarHBondContact O-N 3.45Å; N272-T275 WeakPolarHBondContact CA-OG1 3.49Å; N272-G276 PolarHBondContact O-N 3.17Å; N272-R290 HydrophobicContact CB-CB 4.45Å; N272-R290 HydrophobicContact CB-CG 4.43Å; N272-R290 PolarHBondContact O-NE 3.26Å
273	I	79.8	Confident	82.2	Confident	82 Å²	82	79.5 Å²	79.5	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-70.1	-43.4	172.9	-58.9	-177.4	0	0	0	111.1	H270 K271 R290	H270-I273 WeakPolarHBondContact O-CB 3.21Å; H270-I273 VanDerWaalsContact O-CG1 3.29Å; H270-I273 WeakPolarHBondContact O-CG1 3.46Å; H270-I273 PolarHBondContact O-N 3.44Å; K271-I273 PolarHBondContact O-N 3.14Å; I273-R290 PolarHBondContact O-NH2 3.41Å; I273-R290 VanDerWaalsContact O-NH2 3.12Å
274	H	79.1	Confident	82.2	Confident	77 Å²	77	79.5 Å²	79.5	36%	0.356	40%	0.404	S	S	.	.	H	α-helix	trans	-82.3	-43.6	-175.4	-56.7	-52.6	0	0	0	111.7	E256 C257 H270 K271 G276	E256-H274 WeakPolarHBondContact OE2-CB 3.42Å; E256-H274 IonicContact OE2-CD2 3.6Å; E256-H274 PolarHBondContact OE2-CD2 2.75Å; E256-H274 IonicContact OE2-CG 3.49Å; E256-H274 IonicContact OE2-NE2 3.17Å; C257-H274 PolarHBondContact SG-NE2 3.4Å; C257-H274 VanDerWaalsContact SG-NE2 3.42Å; H270-H274 AromaticContact CD2-NE2 3.82Å; H270-H274 AromaticContact CE1-NE2 3.92Å; H270-H274 AromaticContact NE2-CE1 3.93Å; H270-H274 AromaticContact NE2-NE2 3.15Å; H270-H274 PolarHBondContact NE2-NE2 2.92Å; H270-H274 VanDerWaalsContact NE2-NE2 3.15Å; K271-H274 PolarHBondContact O-N 3.17Å; H274-G276 PolarHBondContact O-N 2.68Å
275	T	78.2	Confident	82.2	Confident	73 Å²	73	79 Å²	79	45%	0.448	40%	0.4	S	S	.	.	S	Bend	trans	-72.9	-14.4	177.6	62.9	0	0	0	0	112.9	K271 N272 E277	K271-T275 PolarHBondContact O-N 3.4Å; K271-T275 VanDerWaalsContact O-N 3.08Å; K271-T275 PolarHBondContact O-OG1 2.98Å; N272-T275 WeakPolarHBondContact CA-OG1 3.49Å; T275-E277 PolarHBondContact O-N 2.91Å; T275-E277 VanDerWaalsContact O-N 3.11Å; T275-E277 WeakPolarHBondContact OG1-CB 3.33Å; T275-E277 WeakPolarHBondContact OG1-CG 3.29Å; T275-E277 PolarHBondContact OG1-N 2.93Å
276	G	77.5	Confident	82.2	Confident	37 Å²	37	77.6 Å²	77.6	38%	0.381	40%	0.402	S	S	.	.			trans	70.2	-0.4	-174.5	0	0	0	0	0	114.2	N272 H274 K278	N272-G276 PolarHBondContact O-N 3.17Å; H274-G276 PolarHBondContact O-N 2.68Å; G276-K278 PolarHBondContact O-N 3.29Å
277	E	79.1	Confident	82.2	Confident	114 Å²	114	82 Å²	82	53%	0.533	42%	0.417	S	S	.	.			trans	-58.5	131.4	-177.5	-74.3	-176.5	173	0	0	111.5	T275	T275-E277 PolarHBondContact O-N 2.91Å; T275-E277 VanDerWaalsContact O-N 3.11Å; T275-E277 WeakPolarHBondContact OG1-CB 3.33Å; T275-E277 WeakPolarHBondContact OG1-CG 3.29Å; T275-E277 PolarHBondContact OG1-N 2.93Å
278	K	83.9	Confident	82.3	Confident	109 Å²	109	82.5 Å²	82.5	47%	0.474	42%	0.424	S	S	.	.			trans	-125.7	79	177.2	-71.5	168.3	176	-175.1	0	108.9	G276 Y280 A288 F289 R290	G276-K278 PolarHBondContact O-N 3.29Å; K278-Y280 PolarHBondContact O-N 3.16Å; K278-Y280 VanDerWaalsContact O-N 3.14Å; K278-A288 HydrophobicContact CB-CB 3.47Å; K278-A288 VanDerWaalsContact CB-CB 3.47Å; K278-A288 HydrophobicContact CD-CB 4.02Å; K278-A288 WeakPolarHBondContact CD-O 3.39Å; K278-A288 HydrophobicContact CG-CB 4.36Å; K278-F289 CarbonylContact C-O 3.52Å; K278-F289 VanDerWaalsContact CA-O 3.3Å; K278-F289 WeakPolarHBondContact CA-O 3.33Å; K278-R290 HydrophobicContact CG-CG 3.89Å
279	P	84.6	Confident	82.4	Confident	75 Å²	75	79.8 Å²	79.8	49%	0.487	41%	0.408	S	S	.	.			trans	-64.3	-21.9	-170.2	-22.7	34.3	0	0	0	113.9
280	Y	85.3	Confident	82.4	Confident	94 Å²	94	80 Å²	80	37%	0.369	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	94.5	-170.8	-56.6	-81.4	0	0	0	110.4	K278 A288 F289 R290	K278-Y280 PolarHBondContact O-N 3.16Å; K278-Y280 VanDerWaalsContact O-N 3.14Å; Y280-A288 CarbonylContact O-C 3.56Å; Y280-A288 WeakPolarHBondContact O-CA 3.42Å; Y280-F289 PolarHBondContact N-O 3.42Å; Y280-F289 PolarHBondContact O-N 2.98Å; Y280-R290 WeakPolarHBondContact CE2-O 3.23Å
281	K	84.1	Confident	82.4	Confident	149 Å²	149	82.7 Å²	82.7	65%	0.648	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.1	179.2	-63.6	-175.8	-179.5	179.6	0	112.1	A288	K281-A288 HydrophobicContact CG-CB 3.82Å
282	C	87.5	Confident	82.4	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.014	42%	0.42	C	S	.	.			trans	-73.9	125.2	169	179.6	0	0	0	0	109.3	E284 G286 K287 F289 L295	C282-E284 VanDerWaalsContact C-N 3.32Å; C282-G286 WeakPolarHBondContact O-CA 3.39Å; C282-G286 PolarHBondContact O-N 3.08Å; C282-K287 WeakPolarHBondContact CB-O 3.28Å; C282-K287 PolarHBondContact N-O 2.82Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; C282-L295 HydrophobicContact CB-CD1 3.61Å
283	K	82.2	Confident	82.3	Confident	211 Å²	211	89.7 Å²	89.7	92%	0.917	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-27	179.6	-65.5	-172.6	177.1	-174	0	112.9
284	E	80.4	Confident	82.5	Confident	125 Å²	125	87.7 Å²	87.7	58%	0.584	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-38	-174.3	-68.9	160	173.9	0	0	113.3	C282 H302	C282-E284 VanDerWaalsContact C-N 3.32Å; E284-H302 WeakPolarHBondContact OE2-CB 3.36Å; E284-H302 IonicContact OE2-CD2 2.95Å; E284-H302 PolarHBondContact OE2-CD2 2.91Å; E284-H302 IonicContact OE2-CG 3.11Å
285	C	81.8	Confident	82.8	Confident	53 Å²	53	85 Å²	85	36%	0.358	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	5.9	-177.5	72	0	0	0	0	114.4	K287 H298 H302	C285-K287 PolarHBondContact O-N 3.14Å; C285-H298 PolarHBondContact SG-NE2 3.4Å; C285-H302 PolarHBondContact SG-NE2 3.49Å
286	G	81.3	Confident	83	Confident	56 Å²	56	86.2 Å²	86.2	58%	0.577	44%	0.435	S	S	*	.			trans	69.4	-6.8	180	0	0	0	0	0	115.7	C282 A288	C282-G286 WeakPolarHBondContact O-CA 3.39Å; C282-G286 PolarHBondContact O-N 3.08Å; G286-A288 PolarHBondContact O-N 3.43Å
287	K	81.8	Confident	83.2	Confident	129 Å²	129	87.6 Å²	87.6	56%	0.561	43%	0.432	S	S	*	.			trans	-62.5	131	-179.1	-75.6	-177.1	179.1	175.2	0	111.5	C282 C285 F289	C282-K287 WeakPolarHBondContact CB-O 3.28Å; C282-K287 PolarHBondContact N-O 2.82Å; C285-K287 PolarHBondContact O-N 3.14Å; K287-F289 HydrophobicContact CB-CE2 3.94Å; K287-F289 HydrophobicContact CB-CZ 4.1Å; K287-F289 WeakPolarHBondContact O-CE2 3.31Å
288	A	86.7	Confident	83.4	Confident	31 Å²	31	83.1 Å²	83.1	26%	0.256	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.3	-178.8	0	0	0	0	0	111.9	K278 Y280 K281 G286	K278-A288 HydrophobicContact CB-CB 3.47Å; K278-A288 VanDerWaalsContact CB-CB 3.47Å; K278-A288 HydrophobicContact CD-CB 4.02Å; K278-A288 WeakPolarHBondContact CD-O 3.39Å; K278-A288 HydrophobicContact CG-CB 4.36Å; Y280-A288 CarbonylContact O-C 3.56Å; Y280-A288 WeakPolarHBondContact O-CA 3.42Å; K281-A288 HydrophobicContact CG-CB 3.82Å; G286-A288 PolarHBondContact O-N 3.43Å
289	F	84.9	Confident	83.3	Confident	43 Å²	43	82.2 Å²	82.2	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.3	-178	-59.4	-90.4	0	0	0	111	K278 Y280 C282 K287 L295 H298	K278-F289 CarbonylContact C-O 3.52Å; K278-F289 VanDerWaalsContact CA-O 3.3Å; K278-F289 WeakPolarHBondContact CA-O 3.33Å; Y280-F289 PolarHBondContact N-O 3.42Å; Y280-F289 PolarHBondContact O-N 2.98Å; C282-F289 HydrophobicContact CB-CE2 4.37Å; K287-F289 HydrophobicContact CB-CE2 3.94Å; K287-F289 HydrophobicContact CB-CZ 4.1Å; K287-F289 WeakPolarHBondContact O-CE2 3.31Å; F289-L295 HydrophobicContact CB-CB 4.24Å; F289-L295 HydrophobicContact CD2-CB 3.85Å; F289-L295 HydrophobicContact CD2-CD1 3.69Å; F289-L295 HydrophobicContact CD2-CG 4.37Å; F289-L295 HydrophobicContact CE2-CD1 3.87Å; F289-L295 HydrophobicContact CG-CB 4.2Å; F289-H298 HydrophobicContact CE1-CB 3.91Å; F289-H298 HydrophobicContact CE2-CB 3.87Å; F289-H298 AromaticContact CE2-CD2 3.4Å; F289-H298 VanDerWaalsContact CE2-CD2 3.4Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.49Å; F289-H298 AromaticContact CE2-CG 3.63Å; F289-H298 HydrophobicContact CZ-CB 3.4Å; F289-H298 VanDerWaalsContact CZ-CB 3.4Å; F289-H298 AromaticContact CZ-CD2 3.4Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.46Å; F289-H298 AromaticContact CZ-CG 3.16Å; F289-H298 AromaticContact CZ-ND1 3.65Å; F289-H298 AromaticContact CZ-NE2 3.95Å
290	R	81.5	Confident	83.2	Confident	93 Å²	93	79.6 Å²	79.6	35%	0.351	39%	0.389	S	S	.	.	S	Bend	trans	-78.7	-23.6	178.1	-65.4	-175.6	170.1	158.7	-5.9	113.3	N272 I273 K278 Y280	N272-R290 HydrophobicContact CB-CB 4.45Å; N272-R290 HydrophobicContact CB-CG 4.43Å; N272-R290 PolarHBondContact O-NE 3.26Å; I273-R290 PolarHBondContact O-NH2 3.41Å; I273-R290 VanDerWaalsContact O-NH2 3.12Å; K278-R290 HydrophobicContact CG-CG 3.89Å; Y280-R290 WeakPolarHBondContact CE2-O 3.23Å
291	Q	83.3	Confident	82.9	Confident	77 Å²	77	80.1 Å²	80.1	36%	0.36	40%	0.397	S	S	.	.	S	Bend	trans	-130.2	143.2	-177	-70.5	176.6	-15	0	0	110.9	E269 R293 S294 L295	E269-Q291 PolarHBondContact OE2-NE2 3.45Å; Q291-R293 VanDerWaalsContact C-N 3.29Å; Q291-R293 PolarHBondContact O-N 3.06Å; Q291-S294 PolarHBondContact O-N 3.3Å; Q291-L295 PolarHBondContact O-N 3.04Å
292	S	83.9	Confident	82.5	Confident	67 Å²	67	76.7 Å²	76.7	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-35.8	177.6	-170.6	0	0	0	0	112.6	L295 N296	S292-L295 PolarHBondContact O-N 3.09Å; S292-N296 PolarHBondContact O-N 3.1Å
293	R	81.4	Confident	82	Confident	186 Å²	186	80 Å²	80	70%	0.702	40%	0.403	S	S	*	.	H	α-helix	trans	-60.9	-45.6	177.7	-179.6	-178.1	-68.2	163.6	-1	111.2	Q291 L295 N296 E297	Q291-R293 VanDerWaalsContact C-N 3.29Å; Q291-R293 PolarHBondContact O-N 3.06Å; R293-L295 VanDerWaalsContact C-N 3.32Å; R293-L295 PolarHBondContact O-N 2.81Å; R293-N296 WeakPolarHBondContact O-CB 3.29Å; R293-N296 PolarHBondContact O-N 2.83Å; R293-N296 VanDerWaalsContact O-N 3.1Å; R293-E297 HydrophobicContact CG-CG 4.48Å; R293-E297 WeakPolarHBondContact CG-OE1 3.49Å; R293-E297 WeakPolarHBondContact O-CG 3.15Å; R293-E297 PolarHBondContact O-N 2.97Å
294	S	83.1	Confident	81.6	Confident	41 Å²	41	72.2 Å²	72.2	29%	0.287	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-36.8	179	-50.3	0	0	0	0	112.4	Q291 H298	Q291-S294 PolarHBondContact O-N 3.3Å; S294-H298 VanDerWaalsContact O-CB 3.25Å; S294-H298 WeakPolarHBondContact O-CB 3.47Å; S294-H298 PolarHBondContact O-N 3.49Å
295	L	85.9	Confident	81.4	Confident	19 Å²	19	71.7 Å²	71.7	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-42.9	171.6	173.1	62.5	0	0	0	111.2	C282 F289 Q291 S292 R293 H298 K299	C282-L295 HydrophobicContact CB-CD1 3.61Å; F289-L295 HydrophobicContact CB-CB 4.24Å; F289-L295 HydrophobicContact CD2-CB 3.85Å; F289-L295 HydrophobicContact CD2-CD1 3.69Å; F289-L295 HydrophobicContact CD2-CG 4.37Å; F289-L295 HydrophobicContact CE2-CD1 3.87Å; F289-L295 HydrophobicContact CG-CB 4.2Å; Q291-L295 PolarHBondContact O-N 3.04Å; S292-L295 PolarHBondContact O-N 3.09Å; R293-L295 VanDerWaalsContact C-N 3.32Å; R293-L295 PolarHBondContact O-N 2.81Å; L295-H298 WeakPolarHBondContact O-CB 3.3Å; L295-H298 PolarHBondContact O-N 2.77Å; L295-K299 HydrophobicContact CD1-CG 4.49Å; L295-K299 WeakPolarHBondContact O-CG 3.17Å; L295-K299 PolarHBondContact O-N 3.39Å
296	N	82.6	Confident	81.3	Confident	99 Å²	99	75 Å²	75	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-45.1	179.3	-159.9	70	0	0	0	111.9	S292 R293 H298 K299 N300	S292-N296 PolarHBondContact O-N 3.1Å; R293-N296 WeakPolarHBondContact O-CB 3.29Å; R293-N296 PolarHBondContact O-N 2.83Å; R293-N296 VanDerWaalsContact O-N 3.1Å; N296-H298 VanDerWaalsContact C-N 3.25Å; N296-H298 PolarHBondContact O-N 2.9Å; N296-K299 PolarHBondContact O-N 2.93Å; N296-N300 PolarHBondContact O-OD1 2.91Å
297	E	81.8	Confident	81.4	Confident	67 Å²	67	76 Å²	76	31%	0.313	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-34.3	173.2	-70.6	174.7	-165.9	0	0	112.4	R293 N300 Q319	R293-E297 HydrophobicContact CG-CG 4.48Å; R293-E297 WeakPolarHBondContact CG-OE1 3.49Å; R293-E297 WeakPolarHBondContact O-CG 3.15Å; R293-E297 PolarHBondContact O-N 2.97Å; E297-N300 WeakPolarHBondContact O-CB 3.44Å; E297-Q319 PolarHBondContact OE2-NE2 3.37Å; E297-Q319 VanDerWaalsContact OE2-NE2 3.07Å
298	H	83.8	Confident	81.4	Confident	19 Å²	19	74.2 Å²	74.2	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-69.9	-36.1	176.1	173.9	68.4	0	0	0	112.8	C285 F289 S294 L295 N296 N300 I301 H302	C285-H298 PolarHBondContact SG-NE2 3.4Å; F289-H298 HydrophobicContact CE1-CB 3.91Å; F289-H298 HydrophobicContact CE2-CB 3.87Å; F289-H298 AromaticContact CE2-CD2 3.4Å; F289-H298 VanDerWaalsContact CE2-CD2 3.4Å; F289-H298 WeakPolarHBondContact CE2-CD2 3.49Å; F289-H298 AromaticContact CE2-CG 3.63Å; F289-H298 HydrophobicContact CZ-CB 3.4Å; F289-H298 VanDerWaalsContact CZ-CB 3.4Å; F289-H298 AromaticContact CZ-CD2 3.4Å; F289-H298 WeakPolarHBondContact CZ-CD2 3.46Å; F289-H298 AromaticContact CZ-CG 3.16Å; F289-H298 AromaticContact CZ-ND1 3.65Å; F289-H298 AromaticContact CZ-NE2 3.95Å; S294-H298 VanDerWaalsContact O-CB 3.25Å; S294-H298 WeakPolarHBondContact O-CB 3.47Å; S294-H298 PolarHBondContact O-N 3.49Å; L295-H298 WeakPolarHBondContact O-CB 3.3Å; L295-H298 PolarHBondContact O-N 2.77Å; N296-H298 VanDerWaalsContact C-N 3.25Å; N296-H298 PolarHBondContact O-N 2.9Å; H298-N300 PolarHBondContact O-N 3.26Å; H298-I301 VanDerWaalsContact O-CB 3.26Å; H298-I301 WeakPolarHBondContact O-CB 3.4Å; H298-I301 WeakPolarHBondContact O-CG1 3.46Å; H298-I301 PolarHBondContact O-N 3.18Å; H298-H302 AromaticContact CD2-NE2 3.71Å; H298-H302 AromaticContact CE1-NE2 3.52Å; H298-H302 AromaticContact NE2-CD2 3.87Å; H298-H302 AromaticContact NE2-CE1 3.85Å; H298-H302 AromaticContact NE2-NE2 2.97Å; H298-H302 PolarHBondContact NE2-NE2 3.07Å
299	K	82.3	Confident	81.2	Confident	90 Å²	90	76.4 Å²	76.4	39%	0.391	39%	0.387	S	S	.	.	H	α-helix	trans	-58.7	-32.2	177	-75.8	-177.6	175.7	-170.6	0	112.6	L295 N296 I301 H302 T303	L295-K299 HydrophobicContact CD1-CG 4.49Å; L295-K299 WeakPolarHBondContact O-CG 3.17Å; L295-K299 PolarHBondContact O-N 3.39Å; N296-K299 PolarHBondContact O-N 2.93Å; K299-I301 PolarHBondContact O-N 3.16Å; K299-H302 PolarHBondContact O-N 3.37Å; K299-T303 PolarHBondContact O-N 2.81Å; K299-T303 VanDerWaalsContact O-N 3.1Å; K299-T303 PolarHBondContact O-OG1 3.1Å
300	N	81.8	Confident	81.1	Confident	21 Å²	21	74.5 Å²	74.5	11%	0.112	38%	0.379	C	S	.	.	H	α-helix	trans	-58.4	-19.6	174.8	-60.5	-5.4	0	0	0	113.2	N296 E297 H298 T303 G304 E305 N318	N296-N300 PolarHBondContact O-OD1 2.91Å; E297-N300 WeakPolarHBondContact O-CB 3.44Å; H298-N300 PolarHBondContact O-N 3.26Å; N300-T303 WeakPolarHBondContact CA-OG1 3.33Å; N300-G304 PolarHBondContact O-N 3.39Å; N300-E305 PolarHBondContact O-N 2.87Å; N300-N318 HydrophobicContact CB-CB 4.08Å; N300-N318 PolarHBondContact ND2-O 3.44Å
301	I	78.6	Confident	81.1	Confident	105 Å²	105	78.2 Å²	78.2	54%	0.538	40%	0.4	S	S	.	.	H	α-helix	trans	-73.9	-38.8	175	-56.9	178	0	0	0	110.8	H298 K299	H298-I301 VanDerWaalsContact O-CB 3.26Å; H298-I301 WeakPolarHBondContact O-CB 3.4Å; H298-I301 WeakPolarHBondContact O-CG1 3.46Å; H298-I301 PolarHBondContact O-N 3.18Å; K299-I301 PolarHBondContact O-N 3.16Å
302	H	77	Confident	80.8	Confident	76 Å²	76	81.9 Å²	81.9	35%	0.352	41%	0.414	S	S	.	.	H	α-helix	trans	-80	-39.9	-177.9	-59.2	-55.1	0	0	0	111.9	E284 C285 H298 K299 G304	E284-H302 WeakPolarHBondContact OE2-CB 3.36Å; E284-H302 IonicContact OE2-CD2 2.95Å; E284-H302 PolarHBondContact OE2-CD2 2.91Å; E284-H302 IonicContact OE2-CG 3.11Å; C285-H302 PolarHBondContact SG-NE2 3.49Å; H298-H302 AromaticContact CD2-NE2 3.71Å; H298-H302 AromaticContact CE1-NE2 3.52Å; H298-H302 AromaticContact NE2-CD2 3.87Å; H298-H302 AromaticContact NE2-CE1 3.85Å; H298-H302 AromaticContact NE2-NE2 2.97Å; H298-H302 PolarHBondContact NE2-NE2 3.07Å; K299-H302 PolarHBondContact O-N 3.37Å; H302-G304 PolarHBondContact O-N 2.92Å
303	T	76.3	Confident	80.6	Confident	71 Å²	71	81.3 Å²	81.3	44%	0.436	41%	0.41	S	S	.	.	S	Bend	trans	-75.7	-13.7	176.7	60.3	0	0	0	0	112.7	K299 N300 E305	K299-T303 PolarHBondContact O-N 2.81Å; K299-T303 VanDerWaalsContact O-N 3.1Å; K299-T303 PolarHBondContact O-OG1 3.1Å; N300-T303 WeakPolarHBondContact CA-OG1 3.33Å; T303-E305 PolarHBondContact O-N 3.03Å; T303-E305 VanDerWaalsContact O-N 3.1Å; T303-E305 WeakPolarHBondContact OG1-CB 3.31Å; T303-E305 WeakPolarHBondContact OG1-CG 3.36Å; T303-E305 PolarHBondContact OG1-N 3.24Å
304	G	74.4	Confident	80.6	Confident	49 Å²	49	75.3 Å²	75.3	51%	0.505	41%	0.406	S	S	.	.			trans	66.2	3.6	-171.8	0	0	0	0	0	113.7	N300 H302 K306	N300-G304 PolarHBondContact O-N 3.39Å; H302-G304 PolarHBondContact O-N 2.92Å; G304-K306 PolarHBondContact O-N 3.2Å
305	E	75.6	Confident	80.4	Confident	114 Å²	114	79.6 Å²	79.6	53%	0.533	42%	0.42	S	S	.	.			trans	-62.4	123.3	-179.5	-73.9	179.8	168.5	0	0	109.9	N300 T303 P307	N300-E305 PolarHBondContact O-N 2.87Å; T303-E305 PolarHBondContact O-N 3.03Å; T303-E305 VanDerWaalsContact O-N 3.1Å; T303-E305 WeakPolarHBondContact OG1-CB 3.31Å; T303-E305 WeakPolarHBondContact OG1-CG 3.36Å; T303-E305 PolarHBondContact OG1-N 3.24Å; E305-P307 WeakPolarHBondContact O-CD 3.44Å
306	K	80.1	Confident	80.4	Confident	122 Å²	122	80.2 Å²	80.2	53%	0.53	43%	0.428	S	S	.	.			trans	-121.1	77.4	173.7	-70.4	170.8	176.8	179.9	0	108.3	G304 Y308 A316 F317	G304-K306 PolarHBondContact O-N 3.2Å; K306-Y308 PolarHBondContact O-N 2.81Å; K306-A316 HydrophobicContact CB-CB 3.42Å; K306-A316 VanDerWaalsContact CB-CB 3.42Å; K306-A316 HydrophobicContact CD-CB 3.84Å; K306-A316 WeakPolarHBondContact CD-O 3.44Å; K306-A316 HydrophobicContact CG-CB 4.26Å; K306-F317 CarbonylContact C-O 3.26Å; K306-F317 VanDerWaalsContact C-O 3.24Å; K306-F317 VanDerWaalsContact CA-O 3.28Å; K306-F317 WeakPolarHBondContact CA-O 3.45Å
307	P	82.3	Confident	80.3	Confident	76 Å²	76	77.6 Å²	77.6	49%	0.494	41%	0.412	S	S	.	.			trans	-64.4	-13.6	-170.2	-20.7	33.4	0	0	0	113.8	E305	E305-P307 WeakPolarHBondContact O-CD 3.44Å
308	Y	82.4	Confident	80.2	Confident	92 Å²	92	76.8 Å²	76.8	36%	0.361	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	91.6	-172.5	-55.1	-70.7	0	0	0	110	K306 A316 F317 S320	K306-Y308 PolarHBondContact O-N 2.81Å; Y308-A316 CarbonylContact O-C 3.55Å; Y308-A316 WeakPolarHBondContact O-CA 3.48Å; Y308-F317 WeakPolarHBondContact CB-O 3.41Å; Y308-F317 PolarHBondContact N-O 3.47Å; Y308-F317 PolarHBondContact O-N 3.37Å; Y308-S320 VanDerWaalsContact CD2-N 3.28Å; Y308-S320 VanDerWaalsContact CE2-N 3.31Å
309	T	81.4	Confident	80	Confident	78 Å²	78	78.8 Å²	78.8	48%	0.479	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.9	178.4	50	0	0	0	0	112	A316 L323	T309-A316 HydrophobicContact CG2-CB 3.75Å; T309-L323 WeakPolarHBondContact O-CD2 3.4Å
310	C	84.1	Confident	79.9	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.02	42%	0.42	C	S	.	.			trans	-88.3	114.1	170.6	-175.4	0	0	0	0	109.7	K312 C313 G314 K315 F317 L323 H330	C310-K312 PolarHBondContact O-N 3.3Å; C310-C313 PolarHBondContact O-N 3.23Å; C310-G314 VanDerWaalsContact O-CA 3.27Å; C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 3.27Å; C310-K315 WeakPolarHBondContact CB-O 3.35Å; C310-K315 PolarHBondContact N-O 3.24Å; C310-F317 HydrophobicContact CB-CE2 4.49Å; C310-L323 HydrophobicContact CB-CD1 3.71Å; C310-H330 PolarHBondContact SG-CD2 3.34Å; C310-H330 PolarHBondContact SG-NE2 3.15Å; C310-H330 VanDerWaalsContact SG-NE2 3.41Å
311	E	81.8	Confident	79.7	Confident	170 Å²	170	79 Å²	79	79%	0.794	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.6	179.1	-70.8	162.5	-154.8	0	0	113	R327	E311-R327 IonicContact OE1-NH2 2.86Å
312	K	76.9	Confident	79.7	Confident	154 Å²	154	75.7 Å²	75.7	67%	0.67	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-30.5	-177.2	-73.7	-172.6	174.3	-163.7	0	114.8	C310 H330	C310-K312 PolarHBondContact O-N 3.3Å; K312-H330 HydrophobicContact CB-CB 4.47Å; K312-H330 HydrophobicContact CD-CB 3.51Å; K312-H330 PolarHBondContact NZ-O 3.06Å; K312-H330 VanDerWaalsContact NZ-O 3.07Å
313	C	80.3	Confident	79.9	Confident	55 Å²	55	72.7 Å²	72.7	37%	0.372	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	9.9	-174.7	81.5	0	0	0	0	114.4	C310 K315 H326 H330	C310-C313 PolarHBondContact O-N 3.23Å; C313-K315 PolarHBondContact O-N 3.45Å; C313-H326 PolarHBondContact SG-NE2 2.7Å; C313-H330 VanDerWaalsContact CB-CE1 3.49Å; C313-H330 WeakPolarHBondContact CB-CE1 3.39Å; C313-H330 VanDerWaalsContact SG-CE1 3.57Å; C313-H330 PolarHBondContact SG-NE2 3.33Å
314	G	79.9	Confident	79.8	Confident	61 Å²	61	74.4 Å²	74.4	63%	0.629	41%	0.411	S	S	*	.			trans	66.7	-1.1	178.8	0	0	0	0	0	115.9	C310 A316	C310-G314 VanDerWaalsContact O-CA 3.27Å; C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 3.27Å; G314-A316 PolarHBondContact O-N 3.1Å
315	K	79.9	Confident	79.6	Confident	130 Å²	130	74.2 Å²	74.2	57%	0.565	40%	0.398	S	S	*	.			trans	-70	127.1	-177.6	-79.2	-175.4	177.1	177.7	0	110.9	C310 C313 F317	C310-K315 WeakPolarHBondContact CB-O 3.35Å; C310-K315 PolarHBondContact N-O 3.24Å; C313-K315 PolarHBondContact O-N 3.45Å; K315-F317 HydrophobicContact CB-CE2 3.94Å; K315-F317 HydrophobicContact CB-CZ 4.04Å; K315-F317 WeakPolarHBondContact O-CE2 3.45Å
316	A	84.6	Confident	79.6	Confident	33 Å²	33	69.6 Å²	69.6	27%	0.273	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.6	-179.5	0	0	0	0	0	111.8	K306 Y308 T309 G314	K306-A316 HydrophobicContact CB-CB 3.42Å; K306-A316 VanDerWaalsContact CB-CB 3.42Å; K306-A316 HydrophobicContact CD-CB 3.84Å; K306-A316 WeakPolarHBondContact CD-O 3.44Å; K306-A316 HydrophobicContact CG-CB 4.26Å; Y308-A316 CarbonylContact O-C 3.55Å; Y308-A316 WeakPolarHBondContact O-CA 3.48Å; T309-A316 HydrophobicContact CG2-CB 3.75Å; G314-A316 PolarHBondContact O-N 3.1Å
317	F	81.9	Confident	79.3	Confident	43 Å²	43	69 Å²	69	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.2	-178.3	-58.3	-89	0	0	0	110.6	K306 Y308 C310 K315 Q319 L323 H326	K306-F317 CarbonylContact C-O 3.26Å; K306-F317 VanDerWaalsContact C-O 3.24Å; K306-F317 VanDerWaalsContact CA-O 3.28Å; K306-F317 WeakPolarHBondContact CA-O 3.45Å; Y308-F317 WeakPolarHBondContact CB-O 3.41Å; Y308-F317 PolarHBondContact N-O 3.47Å; Y308-F317 PolarHBondContact O-N 3.37Å; C310-F317 HydrophobicContact CB-CE2 4.49Å; K315-F317 HydrophobicContact CB-CE2 3.94Å; K315-F317 HydrophobicContact CB-CZ 4.04Å; K315-F317 WeakPolarHBondContact O-CE2 3.45Å; F317-Q319 VanDerWaalsContact C-N 3.34Å; F317-L323 HydrophobicContact CB-CB 4.41Å; F317-L323 HydrophobicContact CD2-CB 3.95Å; F317-L323 HydrophobicContact CD2-CD1 3.8Å; F317-L323 HydrophobicContact CD2-CG 4.49Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.38Å; F317-H326 HydrophobicContact CE1-CB 4.02Å; F317-H326 HydrophobicContact CE2-CB 3.69Å; F317-H326 AromaticContact CE2-CD2 3.39Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.43Å; F317-H326 AromaticContact CE2-CG 3.48Å; F317-H326 VanDerWaalsContact CE2-CG 3.48Å; F317-H326 HydrophobicContact CZ-CB 3.39Å; F317-H326 AromaticContact CZ-CD2 3.52Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.52Å
318	N	78.3	Confident	78.5	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.273	35%	0.353	S	S	.	.	S	Bend	trans	-83.4	-10.7	176.5	61.5	0.2	0	0	0	113.3	N300	N300-N318 HydrophobicContact CB-CB 4.08Å; N300-N318 PolarHBondContact ND2-O 3.44Å
319	Q	79.7	Confident	77.8	Confident	61 Å²	61	67.6 Å²	67.6	29%	0.285	37%	0.366	S	S	.	.	S	Bend	trans	-133.7	138.6	-179	-68.5	175.8	-5.9	0	0	110.9	E297 F317 S321 S322 L323	E297-Q319 PolarHBondContact OE2-NE2 3.37Å; E297-Q319 VanDerWaalsContact OE2-NE2 3.07Å; F317-Q319 VanDerWaalsContact C-N 3.34Å; Q319-S321 PolarHBondContact O-N 3.18Å; Q319-S322 WeakPolarHBondContact O-CB 3.5Å; Q319-S322 PolarHBondContact O-N 3.03Å; Q319-L323 PolarHBondContact O-N 3.46Å
320	S	79.9	Confident	77.2	Confident	58 Å²	58	66.8 Å²	66.8	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-37.3	179.1	59.5	0	0	0	0	112.8	Y308 S322 L323 I324	Y308-S320 VanDerWaalsContact CD2-N 3.28Å; Y308-S320 VanDerWaalsContact CE2-N 3.31Å; S320-S322 VanDerWaalsContact C-N 3.29Å; S320-S322 PolarHBondContact O-N 3.03Å; S320-L323 PolarHBondContact O-N 3.12Å; S320-I324 WeakPolarHBondContact O-CG1 3.44Å; S320-I324 PolarHBondContact O-N 2.81Å
321	S	77.6	Confident	76.2	Confident	56 Å²	56	68.7 Å²	68.7	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-42.5	175.1	53.1	0	0	0	0	111.7	Q319 I324 I325	Q319-S321 PolarHBondContact O-N 3.18Å; S321-I324 PolarHBondContact O-N 3.04Å; S321-I325 WeakPolarHBondContact O-CB 3.38Å; S321-I325 WeakPolarHBondContact O-CD1 3.47Å; S321-I325 WeakPolarHBondContact O-CG1 3.37Å; S321-I325 PolarHBondContact O-N 3.33Å
322	S	78.8	Confident	74.8	Confident	36 Å²	36	69.3 Å²	69.3	25%	0.252	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-38.6	177.1	-67.1	0	0	0	0	112	Q319 S320 H326	Q319-S322 WeakPolarHBondContact O-CB 3.5Å; Q319-S322 PolarHBondContact O-N 3.03Å; S320-S322 VanDerWaalsContact C-N 3.29Å; S320-S322 PolarHBondContact O-N 3.03Å; S322-H326 VanDerWaalsContact O-CB 3.23Å; S322-H326 WeakPolarHBondContact O-CB 3.2Å; S322-H326 PolarHBondContact O-N 3.3Å
323	L	80.9	Confident	73.9	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-43.6	172.7	175.2	64.4	0	0	0	111.9	T309 C310 F317 Q319 S320 I325 H326 R327	T309-L323 WeakPolarHBondContact O-CD2 3.4Å; C310-L323 HydrophobicContact CB-CD1 3.71Å; F317-L323 HydrophobicContact CB-CB 4.41Å; F317-L323 HydrophobicContact CD2-CB 3.95Å; F317-L323 HydrophobicContact CD2-CD1 3.8Å; F317-L323 HydrophobicContact CD2-CG 4.49Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.38Å; Q319-L323 PolarHBondContact O-N 3.46Å; S320-L323 PolarHBondContact O-N 3.12Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 2.74Å; L323-H326 PolarHBondContact O-N 3.48Å; L323-H326 VanDerWaalsContact O-N 3.15Å; L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 HydrophobicContact CG-CG 4.45Å; L323-R327 WeakPolarHBondContact O-CG 3.08Å; L323-R327 PolarHBondContact O-N 3.39Å
324	I	75.8	Confident	72.7	Confident	107 Å²	107	71.4 Å²	71.4	55%	0.549	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-45.7	177.6	-69	166.6	0	0	0	110.4	S320 S321 R327 S328	S320-I324 WeakPolarHBondContact O-CG1 3.44Å; S320-I324 PolarHBondContact O-N 2.81Å; S321-I324 PolarHBondContact O-N 3.04Å; I324-R327 PolarHBondContact O-N 2.92Å; I324-S328 PolarHBondContact O-N 3.32Å
325	I	69.6	Low	71.9	Confident	45 Å²	45	72.5 Å²	72.5	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-47.7	172.9	-79.2	158.6	0	0	0	110.9	S321 L323 R327 S328 T346	S321-I325 WeakPolarHBondContact O-CB 3.38Å; S321-I325 WeakPolarHBondContact O-CD1 3.47Å; S321-I325 WeakPolarHBondContact O-CG1 3.37Å; S321-I325 PolarHBondContact O-N 3.33Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 2.74Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 3.19Å; I325-S328 WeakPolarHBondContact O-CB 3.48Å; I325-S328 PolarHBondContact O-N 2.93Å; I325-S328 VanDerWaalsContact O-N 3.12Å; I325-S328 PolarHBondContact O-OG 3.46Å; I325-T346 HydrophobicContact CB-CG2 4.14Å; I325-T346 HydrophobicContact CG1-CG2 4.28Å; I325-T346 HydrophobicContact CG2-CG2 3.18Å
326	H	75.3	Confident	71.5	Confident	17 Å²	17	70.8 Å²	70.8	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-35.5	-179.3	174.9	72.1	0	0	0	112.6	C313 F317 S322 L323 S328 I329 H330	C313-H326 PolarHBondContact SG-NE2 2.7Å; F317-H326 HydrophobicContact CE1-CB 4.02Å; F317-H326 HydrophobicContact CE2-CB 3.69Å; F317-H326 AromaticContact CE2-CD2 3.39Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.43Å; F317-H326 AromaticContact CE2-CG 3.48Å; F317-H326 VanDerWaalsContact CE2-CG 3.48Å; F317-H326 HydrophobicContact CZ-CB 3.39Å; F317-H326 AromaticContact CZ-CD2 3.52Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.52Å; S322-H326 VanDerWaalsContact O-CB 3.23Å; S322-H326 WeakPolarHBondContact O-CB 3.2Å; S322-H326 PolarHBondContact O-N 3.3Å; L323-H326 PolarHBondContact O-N 3.48Å; L323-H326 VanDerWaalsContact O-N 3.15Å; H326-S328 PolarHBondContact O-N 3.4Å; H326-I329 VanDerWaalsContact O-CB 3.27Å; H326-I329 WeakPolarHBondContact O-CB 3.38Å; H326-I329 WeakPolarHBondContact O-CG1 3.36Å; H326-I329 PolarHBondContact O-N 2.97Å; H326-H330 AromaticContact CD2-NE2 3.7Å; H326-H330 AromaticContact CE1-NE2 3.53Å; H326-H330 AromaticContact NE2-CD2 3.76Å; H326-H330 AromaticContact NE2-CE1 3.96Å; H326-H330 AromaticContact NE2-NE2 2.96Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å
327	R	72.9	Confident	71	Confident	110 Å²	110	74.4 Å²	74.4	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-30.3	174.9	-77	176.9	177.7	-158.3	-4.9	111.7	E311 L323 I324 I325 I329 H330 S331	E311-R327 IonicContact OE1-NH2 2.86Å; L323-R327 HydrophobicContact CD1-CG 4.23Å; L323-R327 HydrophobicContact CG-CG 4.45Å; L323-R327 WeakPolarHBondContact O-CG 3.08Å; L323-R327 PolarHBondContact O-N 3.39Å; I324-R327 PolarHBondContact O-N 2.92Å; I325-R327 VanDerWaalsContact C-N 3.3Å; I325-R327 PolarHBondContact O-N 3.19Å; R327-I329 PolarHBondContact O-N 3.15Å; R327-I329 VanDerWaalsContact O-N 3.11Å; R327-H330 PolarHBondContact O-N 3.45Å; R327-S331 PolarHBondContact O-N 2.88Å; R327-S331 VanDerWaalsContact O-N 3.16Å; R327-S331 PolarHBondContact O-OG 3.12Å
328	S	66.9	Low	71	Confident	16 Å²	16	72.4 Å²	72.4	11%	0.112	36%	0.36	C	S	.	.	H	α-helix	trans	-68.2	-4.6	175.2	92.9	0	0	0	0	114.4	I324 I325 H326 S331	I324-S328 PolarHBondContact O-N 3.32Å; I325-S328 WeakPolarHBondContact O-CB 3.48Å; I325-S328 PolarHBondContact O-N 2.93Å; I325-S328 VanDerWaalsContact O-N 3.12Å; I325-S328 PolarHBondContact O-OG 3.46Å; H326-S328 PolarHBondContact O-N 3.4Å; S328-S331 VanDerWaalsContact O-O 3.11Å
329	I	67.8	Low	71.1	Confident	123 Å²	123	78.1 Å²	78.1	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-84.1	-31.4	170.6	-56.1	176.2	0	0	0	109.9	H326 R327	H326-I329 VanDerWaalsContact O-CB 3.27Å; H326-I329 WeakPolarHBondContact O-CB 3.38Å; H326-I329 WeakPolarHBondContact O-CG1 3.36Å; H326-I329 PolarHBondContact O-N 2.97Å; R327-I329 PolarHBondContact O-N 3.15Å; R327-I329 VanDerWaalsContact O-N 3.11Å
330	H	67.6	Low	71.1	Confident	60 Å²	60	81.2 Å²	81.2	28%	0.278	40%	0.4	S	S	.	.	H	α-helix	trans	-95.3	-11.8	-176.9	-57.2	-61.4	0	0	0	114.3	C310 K312 C313 H326 R327	C310-H330 PolarHBondContact SG-CD2 3.34Å; C310-H330 PolarHBondContact SG-NE2 3.15Å; C310-H330 VanDerWaalsContact SG-NE2 3.41Å; K312-H330 HydrophobicContact CB-CB 4.47Å; K312-H330 HydrophobicContact CD-CB 3.51Å; K312-H330 PolarHBondContact NZ-O 3.06Å; K312-H330 VanDerWaalsContact NZ-O 3.07Å; C313-H330 VanDerWaalsContact CB-CE1 3.49Å; C313-H330 WeakPolarHBondContact CB-CE1 3.39Å; C313-H330 VanDerWaalsContact SG-CE1 3.57Å; C313-H330 PolarHBondContact SG-NE2 3.33Å; H326-H330 AromaticContact CD2-NE2 3.7Å; H326-H330 AromaticContact CE1-NE2 3.53Å; H326-H330 AromaticContact NE2-CD2 3.76Å; H326-H330 AromaticContact NE2-CE1 3.96Å; H326-H330 AromaticContact NE2-NE2 2.96Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å; R327-H330 PolarHBondContact O-N 3.45Å
331	S	62.8	Low	71.1	Confident	44 Å²	44	81.1 Å²	81.1	31%	0.308	40%	0.398	S	S	.	.	S	Bend	trans	-114.9	131.9	170.4	43.9	0	0	0	0	107.4	R327 S328 Q333	R327-S331 PolarHBondContact O-N 2.88Å; R327-S331 VanDerWaalsContact O-N 3.16Å; R327-S331 PolarHBondContact O-OG 3.12Å; S328-S331 VanDerWaalsContact O-O 3.11Å; S331-Q333 PolarHBondContact O-N 3.47Å
332	E	54.2	Low	70.9	Confident	182 Å²	182	80.7 Å²	80.7	85%	0.85	40%	0.403	S	S	*	.	S	Bend	trans	-62	2.8	171.9	-61.8	-172.6	160.5	0	0	113.4	K334	E332-K334 PolarHBondContact O-N 3.36Å
333	Q	56.8	Low	70.7	Confident	142 Å²	142	85.1 Å²	85.1	66%	0.664	42%	0.418	S	S	*	.			trans	-65.2	65.6	162	-68.1	-76.4	-26.6	0	0	110.5	S331 L335	S331-Q333 PolarHBondContact O-N 3.47Å; Q333-L335 PolarHBondContact O-N 2.92Å
334	K	54.8	Low	70.3	Confident	111 Å²	111	85.9 Å²	85.9	48%	0.483	43%	0.426	S	S	.	.			trans	-56.9	99.8	159.2	-82.4	161.8	160.1	-170.5	0	108.1	E332 Y336 K337 A344	E332-K334 PolarHBondContact O-N 3.36Å; K334-Y336 PolarHBondContact O-N 3.37Å; K334-Y336 VanDerWaalsContact O-N 3.1Å; K334-K337 HydrophobicContact CB-CD 4.42Å; K334-K337 HydrophobicContact CB-CG 3.89Å; K334-A344 HydrophobicContact CB-CB 3.37Å; K334-A344 HydrophobicContact CD-CB 3.16Å; K334-A344 HydrophobicContact CG-CB 3.19Å
335	L	64.6	Low	70.2	Confident	84 Å²	84	83 Å²	83	44%	0.44	41%	0.41	S	S	.	.	S	Bend	trans	-56.2	-30.1	-172.1	-69.3	167	0	0	0	113.8	Q333	Q333-L335 PolarHBondContact O-N 2.92Å
336	Y	71.7	Confident	70.2	Confident	94 Å²	94	83.7 Å²	83.7	37%	0.369	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	94.2	-177.2	-56.1	-73.1	0	0	0	110.6	K334 A344 F345 W347	K334-Y336 PolarHBondContact O-N 3.37Å; K334-Y336 VanDerWaalsContact O-N 3.1Å; Y336-A344 WeakPolarHBondContact O-CA 3.35Å; Y336-F345 PolarHBondContact N-O 3.13Å; Y336-F345 PolarHBondContact O-N 3Å; Y336-W347 VanDerWaalsContact CD2-C 3.47Å
337	K	72.9	Confident	70.1	Confident	109 Å²	109	89.5 Å²	89.5	47%	0.474	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.6	175.9	-63.7	180	-177.8	178.3	0	110.7	K334 A344 L351	K334-K337 HydrophobicContact CB-CD 4.42Å; K334-K337 HydrophobicContact CB-CG 3.89Å; K337-A344 HydrophobicContact CG-CB 4.22Å; K337-L351 WeakPolarHBondContact O-CD2 3.2Å
338	C	81.7	Confident	70.2	Confident	2 Å²	2	87.2 Å²	87.2	1%	0.014	44%	0.438	C	S	.	.			trans	-90.9	117.4	168.6	-179.2	0	0	0	0	108.4	E340 G342 K343 F345 L351	C338-E340 PolarHBondContact O-N 2.96Å; C338-G342 WeakPolarHBondContact O-CA 3.5Å; C338-G342 PolarHBondContact O-N 3.38Å; C338-K343 VanDerWaalsContact CB-O 3.3Å; C338-K343 WeakPolarHBondContact CB-O 3.35Å; C338-K343 PolarHBondContact N-O 3.27Å; C338-F345 HydrophobicContact CB-CE2 4.4Å; C338-L351 HydrophobicContact CB-CD1 3.59Å
339	E	79.9	Confident	70.8	Confident	170 Å²	170	89.2 Å²	89.2	79%	0.794	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.1	-178.9	-57.4	-51.7	136.2	0	0	112.8
340	E	80.6	Confident	71.4	Confident	127 Å²	127	85 Å²	85	59%	0.593	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.5	-175.9	-68.3	-175.7	-132.8	0	0	115.1	C338 H358	C338-E340 PolarHBondContact O-N 2.96Å; E340-H358 WeakPolarHBondContact OE2-CB 3.44Å; E340-H358 IonicContact OE2-CE1 2.99Å; E340-H358 IonicContact OE2-CG 3.16Å; E340-H358 IonicContact OE2-ND1 3.49Å; E340-H358 PolarHBondContact OE2-ND1 2.87Å
341	C	79.5	Confident	72.1	Confident	55 Å²	55	82.8 Å²	82.8	37%	0.372	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	5.9	-179.9	67.1	0	0	0	0	114.7	K343 H354 H358	C341-K343 PolarHBondContact O-N 3.02Å; C341-H354 PolarHBondContact SG-NE2 3.43Å; C341-H358 PolarHBondContact SG-NE2 3.48Å
342	G	74.4	Confident	73	Confident	48 Å²	48	85.9 Å²	85.9	50%	0.495	44%	0.437	S	S	.	.			trans	65	0.3	-178.3	0	0	0	0	0	115	C338	C338-G342 WeakPolarHBondContact O-CA 3.5Å; C338-G342 PolarHBondContact O-N 3.38Å
343	K	73.3	Confident	74.3	Confident	128 Å²	128	82.1 Å²	82.1	56%	0.557	42%	0.418	S	S	*	.			trans	-68.1	140.2	178	-75.1	-177.9	-179.9	171.9	0	110.2	C338 C341 F345	C338-K343 VanDerWaalsContact CB-O 3.3Å; C338-K343 WeakPolarHBondContact CB-O 3.35Å; C338-K343 PolarHBondContact N-O 3.27Å; C341-K343 PolarHBondContact O-N 3.02Å; K343-F345 HydrophobicContact CB-CE2 4.01Å; K343-F345 HydrophobicContact CB-CZ 4.14Å
344	A	74.4	Confident	75.6	Confident	30 Å²	30	76.1 Å²	76.1	25%	0.248	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.5	-177.9	0	0	0	0	0	113.3	K334 Y336 K337	K334-A344 HydrophobicContact CB-CB 3.37Å; K334-A344 HydrophobicContact CD-CB 3.16Å; K334-A344 HydrophobicContact CG-CB 3.19Å; Y336-A344 WeakPolarHBondContact O-CA 3.35Å; K337-A344 HydrophobicContact CG-CB 4.22Å
345	F	73.6	Confident	77	Confident	46 Å²	46	75.2 Å²	75.2	20%	0.202	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.7	-175.2	-58.5	-88.4	0	0	0	110.3	Y336 C338 K343 W347 L351 H354	Y336-F345 PolarHBondContact N-O 3.13Å; Y336-F345 PolarHBondContact O-N 3Å; C338-F345 HydrophobicContact CB-CE2 4.4Å; K343-F345 HydrophobicContact CB-CE2 4.01Å; K343-F345 HydrophobicContact CB-CZ 4.14Å; F345-W347 VanDerWaalsContact C-N 3.28Å; F345-L351 HydrophobicContact CB-CB 4.19Å; F345-L351 HydrophobicContact CD2-CB 3.87Å; F345-L351 HydrophobicContact CD2-CD1 3.66Å; F345-L351 HydrophobicContact CD2-CG 4.37Å; F345-L351 HydrophobicContact CE2-CD1 3.89Å; F345-L351 HydrophobicContact CG-CB 4.2Å; F345-H354 HydrophobicContact CE1-CB 3.87Å; F345-H354 HydrophobicContact CE2-CB 3.81Å; F345-H354 AromaticContact CE2-CD2 3.27Å; F345-H354 WeakPolarHBondContact CE2-CD2 3.41Å; F345-H354 AromaticContact CE2-CG 3.54Å; F345-H354 AromaticContact CE2-NE2 3.92Å; F345-H354 HydrophobicContact CZ-CB 3.39Å; F345-H354 AromaticContact CZ-CD2 3.36Å; F345-H354 WeakPolarHBondContact CZ-CD2 3.39Å; F345-H354 AromaticContact CZ-CG 3.14Å; F345-H354 AromaticContact CZ-ND1 3.61Å; F345-H354 AromaticContact CZ-NE2 3.87Å
346	T	68.9	Low	77.8	Confident	60 Å²	60	74.5 Å²	74.5	37%	0.368	38%	0.377	S	S	.	.	S	Bend	trans	-71.6	-25.5	175.9	-45.5	0	0	0	0	112.4	I325	I325-T346 HydrophobicContact CB-CG2 4.14Å; I325-T346 HydrophobicContact CG1-CG2 4.28Å; I325-T346 HydrophobicContact CG2-CG2 3.18Å
347	W	72	Confident	78.3	Confident	138 Å²	138	74.6 Å²	74.6	52%	0.523	38%	0.383	S	S	.	.	S	Bend	trans	-129	140.6	-178.7	-60.3	-39.6	0	0	0	111.6	Y336 F345 S349 S350 L351	Y336-W347 VanDerWaalsContact CD2-C 3.47Å; F345-W347 VanDerWaalsContact C-N 3.28Å; W347-S349 PolarHBondContact O-N 3.49Å; W347-S350 WeakPolarHBondContact O-CB 3.36Å; W347-S350 PolarHBondContact O-N 2.99Å; W347-L351 PolarHBondContact O-N 3.11Å
348	S	75.6	Confident	78.6	Confident	62 Å²	62	72.2 Å²	72.2	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-36.5	173.5	60	0	0	0	0	112.3	S350 L351 N352	S348-S350 VanDerWaalsContact C-N 3.29Å; S348-S350 PolarHBondContact O-N 3.21Å; S348-L351 PolarHBondContact O-N 3.16Å; S348-N352 PolarHBondContact O-N 3.02Å
349	S	79.5	Confident	78.5	Confident	58 Å²	58	76 Å²	76	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-33.4	176.1	65.7	0	0	0	0	112.6	W347 K353	W347-S349 PolarHBondContact O-N 3.49Å; S349-K353 VanDerWaalsContact O-CG 3.25Å; S349-K353 WeakPolarHBondContact O-CG 3.44Å; S349-K353 PolarHBondContact O-N 3.32Å; S349-K353 VanDerWaalsContact O-N 3.09Å
350	S	80.5	Confident	78.4	Confident	34 Å²	34	70 Å²	70	24%	0.238	38%	0.381	C	S	.	.	H	α-helix	trans	-72.2	-41.8	174.2	-65.1	0	0	0	0	111.3	W347 S348 K353 H354	W347-S350 WeakPolarHBondContact O-CB 3.36Å; W347-S350 PolarHBondContact O-N 2.99Å; S348-S350 VanDerWaalsContact C-N 3.29Å; S348-S350 PolarHBondContact O-N 3.21Å; S350-K353 PolarHBondContact O-N 3.21Å; S350-H354 WeakPolarHBondContact O-CB 3.47Å; S350-H354 PolarHBondContact O-N 3.07Å
351	L	82.4	Confident	78.4	Confident	15 Å²	15	69.4 Å²	69.4	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-47.3	172.4	174.6	63.3	0	0	0	111.1	K337 C338 F345 W347 S348 K353 H354 K355	K337-L351 WeakPolarHBondContact O-CD2 3.2Å; C338-L351 HydrophobicContact CB-CD1 3.59Å; F345-L351 HydrophobicContact CB-CB 4.19Å; F345-L351 HydrophobicContact CD2-CB 3.87Å; F345-L351 HydrophobicContact CD2-CD1 3.66Å; F345-L351 HydrophobicContact CD2-CG 4.37Å; F345-L351 HydrophobicContact CE2-CD1 3.89Å; F345-L351 HydrophobicContact CG-CB 4.2Å; W347-L351 PolarHBondContact O-N 3.11Å; S348-L351 PolarHBondContact O-N 3.16Å; L351-K353 VanDerWaalsContact C-N 3.31Å; L351-K353 PolarHBondContact O-N 2.89Å; L351-H354 CarbonylContact O-C 3.23Å; L351-H354 WeakPolarHBondContact O-CA 3.41Å; L351-H354 WeakPolarHBondContact O-CB 3.27Å; L351-H354 PolarHBondContact O-N 3.16Å; L351-K355 HydrophobicContact CD1-CG 4.32Å; L351-K355 HydrophobicContact CG-CG 4.49Å; L351-K355 PolarHBondContact O-N 2.99Å
352	N	81.7	Confident	78.6	Confident	108 Å²	108	72.5 Å²	72.5	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-60.8	-39.5	177.9	-106.5	8.3	0	0	0	112.5	S348 H354	S348-N352 PolarHBondContact O-N 3.02Å; N352-H354 VanDerWaalsContact C-N 3.26Å; N352-H354 PolarHBondContact O-N 2.96Å
353	K	82.5	Confident	79.2	Confident	104 Å²	104	73.5 Å²	73.5	45%	0.452	38%	0.383	S	S	.	.	H	α-helix	trans	-66	-30.9	173.1	-72.8	169.4	-172.5	174.7	0	112.3	S349 S350 L351	S349-K353 VanDerWaalsContact O-CG 3.25Å; S349-K353 WeakPolarHBondContact O-CG 3.44Å; S349-K353 PolarHBondContact O-N 3.32Å; S349-K353 VanDerWaalsContact O-N 3.09Å; S350-K353 PolarHBondContact O-N 3.21Å; L351-K353 VanDerWaalsContact C-N 3.31Å; L351-K353 PolarHBondContact O-N 2.89Å
354	H	84.1	Confident	79.9	Confident	15 Å²	15	71 Å²	71	7%	0.069	37%	0.371	C	S	.	.	H	α-helix	trans	-76.8	-38.1	178.2	169.8	70.2	0	0	0	112.6	C341 F345 S350 L351 N352 R356 I357 H358	C341-H354 PolarHBondContact SG-NE2 3.43Å; F345-H354 HydrophobicContact CE1-CB 3.87Å; F345-H354 HydrophobicContact CE2-CB 3.81Å; F345-H354 AromaticContact CE2-CD2 3.27Å; F345-H354 WeakPolarHBondContact CE2-CD2 3.41Å; F345-H354 AromaticContact CE2-CG 3.54Å; F345-H354 AromaticContact CE2-NE2 3.92Å; F345-H354 HydrophobicContact CZ-CB 3.39Å; F345-H354 AromaticContact CZ-CD2 3.36Å; F345-H354 WeakPolarHBondContact CZ-CD2 3.39Å; F345-H354 AromaticContact CZ-CG 3.14Å; F345-H354 AromaticContact CZ-ND1 3.61Å; F345-H354 AromaticContact CZ-NE2 3.87Å; S350-H354 WeakPolarHBondContact O-CB 3.47Å; S350-H354 PolarHBondContact O-N 3.07Å; L351-H354 CarbonylContact O-C 3.23Å; L351-H354 WeakPolarHBondContact O-CA 3.41Å; L351-H354 WeakPolarHBondContact O-CB 3.27Å; L351-H354 PolarHBondContact O-N 3.16Å; N352-H354 VanDerWaalsContact C-N 3.26Å; N352-H354 PolarHBondContact O-N 2.96Å; H354-R356 PolarHBondContact O-N 3.08Å; H354-I357 VanDerWaalsContact O-CB 3.28Å; H354-I357 WeakPolarHBondContact O-CB 3.45Å; H354-I357 WeakPolarHBondContact O-CG1 3.35Å; H354-I357 PolarHBondContact O-N 3.29Å; H354-H358 AromaticContact CE1-NE2 3.75Å; H354-H358 AromaticContact NE2-CD2 3.77Å; H354-H358 AromaticContact NE2-NE2 3.38Å; H354-H358 PolarHBondContact NE2-NE2 3.24Å
355	K	82.6	Confident	80.4	Confident	92 Å²	92	73.5 Å²	73.5	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-54.1	-27	175.1	-74.1	-171.7	173.4	-166.6	0	113.1	L351 I357 H358 T359	L351-K355 HydrophobicContact CD1-CG 4.32Å; L351-K355 HydrophobicContact CG-CG 4.49Å; L351-K355 PolarHBondContact O-N 2.99Å; K355-I357 PolarHBondContact O-N 3.37Å; K355-H358 VanDerWaalsContact O-CB 3.3Å; K355-H358 WeakPolarHBondContact O-CB 3.25Å; K355-H358 PolarHBondContact O-N 3.1Å; K355-T359 PolarHBondContact O-N 3.33Å; K355-T359 VanDerWaalsContact O-N 3.09Å; K355-T359 PolarHBondContact O-OG1 2.7Å
356	R	83.1	Confident	81.2	Confident	70 Å²	70	71.4 Å²	71.4	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-20.7	173.5	-61.5	-179.2	-177.9	-172	-5.5	114.7	H354 H358 G360 E361 Y374	H354-R356 PolarHBondContact O-N 3.08Å; R356-H358 VanDerWaalsContact C-N 3.32Å; R356-G360 PolarHBondContact O-N 3.49Å; R356-E361 PolarHBondContact O-N 2.89Å; R356-Y374 PolarHBondContact NH1-O 3.24Å
357	I	80.4	Confident	82.2	Confident	95 Å²	95	76.9 Å²	76.9	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-72.1	-35.5	175.1	-58.7	178	0	0	0	109.9	H354 K355	H354-I357 VanDerWaalsContact O-CB 3.28Å; H354-I357 WeakPolarHBondContact O-CB 3.45Å; H354-I357 WeakPolarHBondContact O-CG1 3.35Å; H354-I357 PolarHBondContact O-N 3.29Å; K355-I357 PolarHBondContact O-N 3.37Å
358	H	79.4	Confident	82.8	Confident	59 Å²	59	76.4 Å²	76.4	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-76.8	-48.6	-179	-76.4	-71.6	0	0	0	112.3	E340 C341 H354 K355 R356 G360	E340-H358 WeakPolarHBondContact OE2-CB 3.44Å; E340-H358 IonicContact OE2-CE1 2.99Å; E340-H358 IonicContact OE2-CG 3.16Å; E340-H358 IonicContact OE2-ND1 3.49Å; E340-H358 PolarHBondContact OE2-ND1 2.87Å; C341-H358 PolarHBondContact SG-NE2 3.48Å; H354-H358 AromaticContact CE1-NE2 3.75Å; H354-H358 AromaticContact NE2-CD2 3.77Å; H354-H358 AromaticContact NE2-NE2 3.38Å; H354-H358 PolarHBondContact NE2-NE2 3.24Å; K355-H358 VanDerWaalsContact O-CB 3.3Å; K355-H358 WeakPolarHBondContact O-CB 3.25Å; K355-H358 PolarHBondContact O-N 3.1Å; R356-H358 VanDerWaalsContact C-N 3.32Å; H358-G360 PolarHBondContact O-N 2.95Å
359	T	79.3	Confident	83.4	Confident	81 Å²	81	75.9 Å²	75.9	50%	0.497	40%	0.395	S	S	.	.	S	Bend	trans	-72.4	-10.1	178.7	61.2	0	0	0	0	113.3	K355 E361	K355-T359 PolarHBondContact O-N 3.33Å; K355-T359 VanDerWaalsContact O-N 3.09Å; K355-T359 PolarHBondContact O-OG1 2.7Å; T359-E361 PolarHBondContact O-N 3.03Å; T359-E361 WeakPolarHBondContact OG1-CG 3.44Å; T359-E361 PolarHBondContact OG1-N 3.06Å
360	G	78.8	Confident	83.6	Confident	46 Å²	46	75.9 Å²	75.9	47%	0.474	40%	0.404	S	S	.	.			trans	67	2.4	-174.4	0	0	0	0	0	114.2	R356 H358 K362	R356-G360 PolarHBondContact O-N 3.49Å; H358-G360 PolarHBondContact O-N 2.95Å; G360-K362 PolarHBondContact O-N 3.4Å
361	E	80.6	Confident	83.9	Confident	113 Å²	113	80.5 Å²	80.5	53%	0.528	42%	0.42	S	S	.	.			trans	-59.1	122.1	-179.6	-76.7	-178.3	179.6	0	0	110.7	R356 T359 P363	R356-E361 PolarHBondContact O-N 2.89Å; T359-E361 PolarHBondContact O-N 3.03Å; T359-E361 WeakPolarHBondContact OG1-CG 3.44Å; T359-E361 PolarHBondContact OG1-N 3.06Å; E361-P363 WeakPolarHBondContact O-CD 3.35Å
362	K	84.4	Confident	84.2	Confident	121 Å²	121	81.4 Å²	81.4	53%	0.526	43%	0.43	S	S	.	.			trans	-121.7	76.7	176.5	-71.3	165.3	178.2	178.4	0	109.7	G360 Y364 A372 F373	G360-K362 PolarHBondContact O-N 3.4Å; K362-Y364 PolarHBondContact O-N 3.33Å; K362-A372 HydrophobicContact CB-CB 3.48Å; K362-A372 VanDerWaalsContact CB-CB 3.48Å; K362-A372 HydrophobicContact CD-CB 3.97Å; K362-A372 WeakPolarHBondContact CD-O 3.38Å; K362-A372 HydrophobicContact CG-CB 4.32Å; K362-F373 CarbonylContact C-O 3.19Å; K362-F373 VanDerWaalsContact C-O 3.26Å; K362-F373 WeakPolarHBondContact CA-O 3.47Å
363	P	86.4	Confident	84.5	Confident	68 Å²	68	78.2 Å²	78.2	44%	0.442	41%	0.411	S	S	.	.			trans	-67.2	-9.8	-172.2	-20.4	33.7	0	0	0	114.6	E361	E361-P363 WeakPolarHBondContact O-CD 3.35Å
364	Y	88.1	Confident	84.6	Confident	75 Å²	75	76.5 Å²	76.5	29%	0.294	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	94.7	-173.5	-53.7	-75.8	0	0	0	109.7	K362 A372 F373 S376	K362-Y364 PolarHBondContact O-N 3.33Å; Y364-A372 CarbonylContact O-C 3.56Å; Y364-A372 WeakPolarHBondContact O-CA 2.97Å; Y364-F373 WeakPolarHBondContact CB-O 3.29Å; Y364-F373 WeakPolarHBondContact CD2-O 3.39Å; Y364-F373 PolarHBondContact N-O 3.45Å; Y364-F373 VanDerWaalsContact N-O 3.09Å; Y364-F373 PolarHBondContact O-N 3.39Å; Y364-S376 VanDerWaalsContact CD2-N 3.27Å; Y364-S376 VanDerWaalsContact CE2-N 3.32Å
365	T	84.8	Confident	84.5	Confident	84 Å²	84	80.4 Å²	80.4	52%	0.515	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.2	178.6	47.4	0	0	0	0	111.4	A372 L379	T365-A372 HydrophobicContact CG2-CB 3.81Å; T365-L379 WeakPolarHBondContact O-CD2 3.26Å
366	C	91.3	Very high	84.7	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.007	42%	0.42	C	S	.	.			trans	-89.8	118.2	169	-176.2	0	0	0	0	108.8	E368 C369 G370 K371 F373 L379 H386	C366-E368 VanDerWaalsContact C-N 3.31Å; C366-E368 PolarHBondContact O-N 3.21Å; C366-C369 VanDerWaalsContact SG-SG 3.68Å; C366-G370 WeakPolarHBondContact O-CA 3.45Å; C366-G370 PolarHBondContact O-N 3.31Å; C366-K371 WeakPolarHBondContact CB-O 3.34Å; C366-K371 PolarHBondContact N-O 2.81Å; C366-F373 HydrophobicContact CB-CE2 4.49Å; C366-L379 HydrophobicContact CB-CD1 3.62Å; C366-H386 PolarHBondContact SG-NE2 3.24Å; C366-H386 VanDerWaalsContact SG-NE2 3.37Å
367	E	88.2	Confident	84.9	Confident	176 Å²	176	78.9 Å²	78.9	82%	0.822	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-33.2	-178.8	-67.6	169	177.8	0	0	112.4
368	E	86.1	Confident	85.2	Confident	127 Å²	127	77 Å²	77	59%	0.593	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.8	-177.2	-68.7	165.8	166	0	0	114.3	C366 H386	C366-E368 VanDerWaalsContact C-N 3.31Å; C366-E368 PolarHBondContact O-N 3.21Å; E368-H386 WeakPolarHBondContact OE2-CB 3.46Å; E368-H386 IonicContact OE2-CD2 2.96Å; E368-H386 PolarHBondContact OE2-CD2 2.82Å; E368-H386 IonicContact OE2-CG 3.04Å; E368-H386 IonicContact OE2-NE2 4Å
369	C	86.8	Confident	85.7	Confident	52 Å²	52	75.2 Å²	75.2	35%	0.351	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	6.1	-175.5	74.8	0	0	0	0	114.8	C366 K371 H382 H386	C366-C369 VanDerWaalsContact SG-SG 3.68Å; C369-K371 PolarHBondContact O-N 3.45Å; C369-H382 PolarHBondContact SG-NE2 3.03Å; C369-H386 PolarHBondContact SG-NE2 3.3Å; C369-H386 VanDerWaalsContact SG-NE2 3.35Å
370	G	84.6	Confident	86.1	Confident	58 Å²	58	74 Å²	74	60%	0.598	41%	0.407	S	S	*	.			trans	67.6	-4.1	-178.4	0	0	0	0	0	115.6	C366 A372	C366-G370 WeakPolarHBondContact O-CA 3.45Å; C366-G370 PolarHBondContact O-N 3.31Å; G370-A372 PolarHBondContact O-N 3.31Å
371	K	86.8	Confident	86.5	Confident	130 Å²	130	76.8 Å²	76.8	57%	0.565	41%	0.406	S	S	*	.			trans	-68.8	127.2	-176.5	-72.9	-178.1	-179.9	175.3	0	111.6	C366 C369 F373	C366-K371 WeakPolarHBondContact CB-O 3.34Å; C366-K371 PolarHBondContact N-O 2.81Å; C369-K371 PolarHBondContact O-N 3.45Å; K371-F373 HydrophobicContact CB-CE2 4.08Å; K371-F373 HydrophobicContact CB-CZ 4.23Å; K371-F373 WeakPolarHBondContact O-CE2 3.26Å
372	A	88.8	Confident	86.9	Confident	35 Å²	35	72.4 Å²	72.4	29%	0.289	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.5	-178.7	0	0	0	0	0	112.9	K362 Y364 T365 G370	K362-A372 HydrophobicContact CB-CB 3.48Å; K362-A372 VanDerWaalsContact CB-CB 3.48Å; K362-A372 HydrophobicContact CD-CB 3.97Å; K362-A372 WeakPolarHBondContact CD-O 3.38Å; K362-A372 HydrophobicContact CG-CB 4.32Å; Y364-A372 CarbonylContact O-C 3.56Å; Y364-A372 WeakPolarHBondContact O-CA 2.97Å; T365-A372 HydrophobicContact CG2-CB 3.81Å; G370-A372 PolarHBondContact O-N 3.31Å
373	F	87.4	Confident	87	Confident	41 Å²	41	70.9 Å²	70.9	18%	0.18	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.5	-178.6	-58.4	-89.1	0	0	0	111.4	K362 Y364 C366 K371 H378 L379 H382	K362-F373 CarbonylContact C-O 3.19Å; K362-F373 VanDerWaalsContact C-O 3.26Å; K362-F373 WeakPolarHBondContact CA-O 3.47Å; Y364-F373 WeakPolarHBondContact CB-O 3.29Å; Y364-F373 WeakPolarHBondContact CD2-O 3.39Å; Y364-F373 PolarHBondContact N-O 3.45Å; Y364-F373 VanDerWaalsContact N-O 3.09Å; Y364-F373 PolarHBondContact O-N 3.39Å; C366-F373 HydrophobicContact CB-CE2 4.49Å; K371-F373 HydrophobicContact CB-CE2 4.08Å; K371-F373 HydrophobicContact CB-CZ 4.23Å; K371-F373 WeakPolarHBondContact O-CE2 3.26Å; F373-H378 HydrophobicContact CB-CB 4.24Å; F373-H378 HydrophobicContact CD1-CB 3.95Å; F373-H378 HydrophobicContact CG-CB 4.31Å; F373-L379 HydrophobicContact CB-CB 4.45Å; F373-L379 HydrophobicContact CD2-CB 3.97Å; F373-L379 HydrophobicContact CD2-CD1 3.84Å; F373-L379 HydrophobicContact CE2-CD1 4.01Å; F373-L379 HydrophobicContact CG-CB 4.41Å; F373-H382 HydrophobicContact CE1-CB 4.1Å; F373-H382 HydrophobicContact CE2-CB 3.74Å; F373-H382 AromaticContact CE2-CD2 3.5Å; F373-H382 VanDerWaalsContact CE2-CD2 3.5Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.39Å; F373-H382 AromaticContact CE2-CG 3.56Å; F373-H382 HydrophobicContact CZ-CB 3.43Å; F373-H382 VanDerWaalsContact CZ-CB 3.43Å; F373-H382 AromaticContact CZ-CD2 3.62Å; F373-H382 AromaticContact CZ-CG 3.23Å; F373-H382 AromaticContact CZ-ND1 3.62Å
374	Y	84.2	Confident	87.1	Confident	68 Å²	68	70.8 Å²	70.8	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-83.6	-10.6	178.4	64	-87.8	0	0	0	113.7	R356 H378	R356-Y374 PolarHBondContact NH1-O 3.24Å; Y374-H378 AromaticContact CE1-ND1 3.79Å; Y374-H378 AromaticContact CZ-CE1 3.59Å; Y374-H378 AromaticContact CZ-ND1 3.63Å; Y374-H378 PolarHBondContact OH-CE1 2.85Å
375	R	83.4	Confident	87	Confident	96 Å²	96	72 Å²	72	36%	0.362	38%	0.381	S	S	.	.	S	Bend	trans	-134	137	178.2	-75	174	-174	178.3	5	111.5	S377 H378 L379	R375-S377 VanDerWaalsContact C-N 3.3Å; R375-S377 PolarHBondContact O-N 2.73Å; R375-H378 HydrophobicContact CB-CB 4.37Å; R375-H378 WeakPolarHBondContact O-CB 3.46Å; R375-H378 PolarHBondContact O-N 3.19Å; R375-H378 VanDerWaalsContact O-N 3.08Å; R375-L379 PolarHBondContact O-N 3.31Å
376	S	86.3	Confident	87	Confident	68 Å²	68	71.5 Å²	71.5	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-36.9	175.4	57.2	0	0	0	0	112.8	Y364 H378 L379 A380	Y364-S376 VanDerWaalsContact CD2-N 3.27Å; Y364-S376 VanDerWaalsContact CE2-N 3.32Å; S376-H378 PolarHBondContact O-N 3.2Å; S376-L379 PolarHBondContact O-N 3.25Å; S376-A380 PolarHBondContact O-N 3.27Å
377	S	86.9	Confident	86.6	Confident	62 Å²	62	75.3 Å²	75.3	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-64.8	-26.7	176.6	60.4	0	0	0	0	113.2	R375 K381	R375-S377 VanDerWaalsContact C-N 3.3Å; R375-S377 PolarHBondContact O-N 2.73Å; S377-K381 WeakPolarHBondContact O-CG 3.29Å; S377-K381 PolarHBondContact O-N 2.86Å
378	H	87.8	Confident	86.3	Confident	55 Å²	55	69.1 Å²	69.1	26%	0.255	38%	0.379	S	S	.	.	H	α-helix	trans	-77.3	-41	174.4	-68.8	-174.9	0	0	0	111	F373 Y374 R375 S376 A380 K381 H382	F373-H378 HydrophobicContact CB-CB 4.24Å; F373-H378 HydrophobicContact CD1-CB 3.95Å; F373-H378 HydrophobicContact CG-CB 4.31Å; Y374-H378 AromaticContact CE1-ND1 3.79Å; Y374-H378 AromaticContact CZ-CE1 3.59Å; Y374-H378 AromaticContact CZ-ND1 3.63Å; Y374-H378 PolarHBondContact OH-CE1 2.85Å; R375-H378 HydrophobicContact CB-CB 4.37Å; R375-H378 WeakPolarHBondContact O-CB 3.46Å; R375-H378 PolarHBondContact O-N 3.19Å; R375-H378 VanDerWaalsContact O-N 3.08Å; S376-H378 PolarHBondContact O-N 3.2Å; H378-A380 VanDerWaalsContact C-N 3.35Å; H378-A380 PolarHBondContact O-N 3.26Å; H378-K381 PolarHBondContact O-N 2.88Å; H378-H382 WeakPolarHBondContact O-CB 3.37Å; H378-H382 PolarHBondContact O-N 3.05Å
379	L	89.3	Confident	86.2	Confident	22 Å²	22	68.3 Å²	68.3	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-45.7	171.5	175.7	62.3	0	0	0	111.3	T365 C366 F373 R375 S376 K381 H382 K383	T365-L379 WeakPolarHBondContact O-CD2 3.26Å; C366-L379 HydrophobicContact CB-CD1 3.62Å; F373-L379 HydrophobicContact CB-CB 4.45Å; F373-L379 HydrophobicContact CD2-CB 3.97Å; F373-L379 HydrophobicContact CD2-CD1 3.84Å; F373-L379 HydrophobicContact CE2-CD1 4.01Å; F373-L379 HydrophobicContact CG-CB 4.41Å; R375-L379 PolarHBondContact O-N 3.31Å; S376-L379 PolarHBondContact O-N 3.25Å; L379-K381 VanDerWaalsContact C-N 3.32Å; L379-K381 PolarHBondContact O-N 3.2Å; L379-H382 WeakPolarHBondContact O-CA 2.91Å; L379-H382 WeakPolarHBondContact O-CB 3.28Å; L379-H382 PolarHBondContact O-N 2.87Å; L379-K383 HydrophobicContact CD1-CG 4.27Å; L379-K383 PolarHBondContact O-N 2.89Å
380	A	86.8	Confident	86.2	Confident	56 Å²	56	71.7 Å²	71.7	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-40.1	177.7	0	0	0	0	0	112.7	S376 H378 H382	S376-A380 PolarHBondContact O-N 3.27Å; H378-A380 VanDerWaalsContact C-N 3.35Å; H378-A380 PolarHBondContact O-N 3.26Å; A380-H382 VanDerWaalsContact C-N 3.34Å
381	K	87.5	Confident	86.4	Confident	104 Å²	104	72.2 Å²	72.2	45%	0.452	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-35.5	172.9	-72.5	176.3	-175.8	-175.9	0	112.3	S377 H378 L379 R384	S377-K381 WeakPolarHBondContact O-CG 3.29Å; S377-K381 PolarHBondContact O-N 2.86Å; H378-K381 PolarHBondContact O-N 2.88Å; L379-K381 VanDerWaalsContact C-N 3.32Å; L379-K381 PolarHBondContact O-N 3.2Å; K381-R384 WeakPolarHBondContact O-CB 3.4Å
382	H	89	Confident	86.6	Confident	21 Å²	21	69.7 Å²	69.7	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-69	-41.1	178.6	176.3	69	0	0	0	112.5	C369 F373 H378 L379 A380 R384 I385 H386	C369-H382 PolarHBondContact SG-NE2 3.03Å; F373-H382 HydrophobicContact CE1-CB 4.1Å; F373-H382 HydrophobicContact CE2-CB 3.74Å; F373-H382 AromaticContact CE2-CD2 3.5Å; F373-H382 VanDerWaalsContact CE2-CD2 3.5Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.39Å; F373-H382 AromaticContact CE2-CG 3.56Å; F373-H382 HydrophobicContact CZ-CB 3.43Å; F373-H382 VanDerWaalsContact CZ-CB 3.43Å; F373-H382 AromaticContact CZ-CD2 3.62Å; F373-H382 AromaticContact CZ-CG 3.23Å; F373-H382 AromaticContact CZ-ND1 3.62Å; H378-H382 WeakPolarHBondContact O-CB 3.37Å; H378-H382 PolarHBondContact O-N 3.05Å; L379-H382 WeakPolarHBondContact O-CA 2.91Å; L379-H382 WeakPolarHBondContact O-CB 3.28Å; L379-H382 PolarHBondContact O-N 2.87Å; A380-H382 VanDerWaalsContact C-N 3.34Å; H382-R384 PolarHBondContact O-N 2.88Å; H382-I385 VanDerWaalsContact O-CB 3.28Å; H382-I385 WeakPolarHBondContact O-CB 3.47Å; H382-I385 WeakPolarHBondContact O-CG1 3.45Å; H382-I385 PolarHBondContact O-N 3.36Å; H382-H386 AromaticContact CD2-NE2 3.91Å; H382-H386 AromaticContact CE1-NE2 3.93Å; H382-H386 AromaticContact NE2-CE1 3.98Å; H382-H386 AromaticContact NE2-NE2 3.22Å; H382-H386 PolarHBondContact NE2-NE2 3.08Å
383	K	86.4	Confident	86.5	Confident	90 Å²	90	72 Å²	72	39%	0.391	38%	0.375	S	S	.	.	H	α-helix	trans	-56.5	-23.5	177	-74.3	-167.8	171.9	-160.7	0	113.5	L379 I385 H386 T387	L379-K383 HydrophobicContact CD1-CG 4.27Å; L379-K383 PolarHBondContact O-N 2.89Å; K383-I385 PolarHBondContact O-N 3.49Å; K383-H386 PolarHBondContact O-N 3.22Å; K383-T387 PolarHBondContact O-N 3.31Å; K383-T387 PolarHBondContact O-OG1 3.19Å
384	R	88.5	Confident	86.7	Confident	65 Å²	65	70 Å²	70	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-65.4	-19.1	173.2	-60.2	178.9	-175.6	-162.9	-8.8	114	K381 H382 T387 G388 E389 N402	K381-R384 WeakPolarHBondContact O-CB 3.4Å; H382-R384 PolarHBondContact O-N 2.88Å; R384-T387 WeakPolarHBondContact CA-OG1 3.45Å; R384-G388 PolarHBondContact O-N 3.38Å; R384-E389 PolarHBondContact O-N 3.34Å; R384-N402 HydrophobicContact CB-CB 4.31Å; R384-N402 PolarHBondContact NH1-O 3.03Å; R384-N402 VanDerWaalsContact NH1-O 3.08Å
385	I	85.7	Confident	86.9	Confident	102 Å²	102	75 Å²	75	52%	0.523	39%	0.392	S	S	.	.	H	α-helix	trans	-73.4	-39	177.2	-59.6	176.3	0	0	0	110	H382 K383	H382-I385 VanDerWaalsContact O-CB 3.28Å; H382-I385 WeakPolarHBondContact O-CB 3.47Å; H382-I385 WeakPolarHBondContact O-CG1 3.45Å; H382-I385 PolarHBondContact O-N 3.36Å; K383-I385 PolarHBondContact O-N 3.49Å
386	H	84.5	Confident	87.1	Confident	73 Å²	73	76.4 Å²	76.4	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-79.7	-43.2	-177.5	-58.3	-51.3	0	0	0	112.2	C366 E368 C369 H382 K383 G388	C366-H386 PolarHBondContact SG-NE2 3.24Å; C366-H386 VanDerWaalsContact SG-NE2 3.37Å; E368-H386 WeakPolarHBondContact OE2-CB 3.46Å; E368-H386 IonicContact OE2-CD2 2.96Å; E368-H386 PolarHBondContact OE2-CD2 2.82Å; E368-H386 IonicContact OE2-CG 3.04Å; E368-H386 IonicContact OE2-NE2 4Å; C369-H386 PolarHBondContact SG-NE2 3.3Å; C369-H386 VanDerWaalsContact SG-NE2 3.35Å; H382-H386 AromaticContact CD2-NE2 3.91Å; H382-H386 AromaticContact CE1-NE2 3.93Å; H382-H386 AromaticContact NE2-CE1 3.98Å; H382-H386 AromaticContact NE2-NE2 3.22Å; H382-H386 PolarHBondContact NE2-NE2 3.08Å; K383-H386 PolarHBondContact O-N 3.22Å; H386-G388 PolarHBondContact O-N 2.97Å
387	T	83.1	Confident	87.1	Confident	80 Å²	80	75.6 Å²	75.6	49%	0.491	40%	0.397	S	S	.	.	S	Bend	trans	-71.4	-15	175.7	52.8	0	0	0	0	113.3	K383 R384 E389	K383-T387 PolarHBondContact O-N 3.31Å; K383-T387 PolarHBondContact O-OG1 3.19Å; R384-T387 WeakPolarHBondContact CA-OG1 3.45Å; T387-E389 PolarHBondContact O-N 3.09Å; T387-E389 VanDerWaalsContact O-N 3.16Å
388	G	82.5	Confident	87.1	Confident	46 Å²	46	75.5 Å²	75.5	47%	0.474	41%	0.405	S	S	.	.			trans	68.5	5.2	-174.7	0	0	0	0	0	114.4	R384 H386 K390	R384-G388 PolarHBondContact O-N 3.38Å; H386-G388 PolarHBondContact O-N 2.97Å; G388-K390 PolarHBondContact O-N 2.96Å
389	E	83.9	Confident	87.1	Confident	111 Å²	111	79 Å²	79	52%	0.519	42%	0.42	S	S	.	.			trans	-57.4	123.1	179.9	-76.6	-175.1	177.2	0	0	111.4	R384 T387 P391	R384-E389 PolarHBondContact O-N 3.34Å; T387-E389 PolarHBondContact O-N 3.09Å; T387-E389 VanDerWaalsContact O-N 3.16Å; E389-P391 WeakPolarHBondContact O-CD 3.36Å
390	K	87.6	Confident	87.1	Confident	122 Å²	122	79.7 Å²	79.7	53%	0.53	43%	0.429	S	S	.	.			trans	-123.8	75.6	177.2	-71.8	167.9	176.4	-178.5	0	110.5	G388 Y392 A400 F401	G388-K390 PolarHBondContact O-N 2.96Å; K390-Y392 PolarHBondContact O-N 3.36Å; K390-A400 HydrophobicContact CB-CB 3.56Å; K390-A400 HydrophobicContact CD-CB 4.05Å; K390-A400 WeakPolarHBondContact CD-O 3.41Å; K390-A400 HydrophobicContact CG-CB 4.4Å; K390-F401 CarbonylContact C-O 3.59Å; K390-F401 VanDerWaalsContact CA-O 3.25Å; K390-F401 WeakPolarHBondContact CA-O 3.25Å
391	P	88.4	Confident	87.2	Confident	70 Å²	70	79.1 Å²	79.1	46%	0.455	42%	0.416	S	S	.	.			trans	-67.5	-11.4	-172.2	-20.4	33.7	0	0	0	114.6	E389	E389-P391 WeakPolarHBondContact O-CD 3.36Å
392	Y	90.3	Very high	87.2	Confident	76 Å²	76	76.3 Å²	76.3	30%	0.298	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	97.2	-172.1	-55.9	-74.7	0	0	0	110	K390 A400 F401 S404	K390-Y392 PolarHBondContact O-N 3.36Å; Y392-A400 CarbonylContact O-C 3.55Å; Y392-A400 WeakPolarHBondContact O-CA 3.41Å; Y392-F401 PolarHBondContact N-O 2.84Å; Y392-F401 VanDerWaalsContact N-O 3.1Å; Y392-F401 PolarHBondContact O-N 3.07Å; Y392-S404 VanDerWaalsContact CD2-N 3.34Å; Y392-S404 VanDerWaalsContact CE2-N 3.31Å
393	T	86.1	Confident	87.1	Confident	83 Å²	83	78.5 Å²	78.5	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.9	179	48.8	0	0	0	0	111.5	A400 L407	T393-A400 HydrophobicContact CG2-CB 3.84Å; T393-L407 WeakPolarHBondContact O-CD2 3.27Å
394	C	91.9	Very high	87.1	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.007	42%	0.416	C	S	.	.			trans	-90.2	116.5	169.7	-177.9	0	0	0	0	109	E396 C397 G398 K399 F401 L407 H414	C394-E396 VanDerWaalsContact C-N 3.28Å; C394-E396 PolarHBondContact O-N 3.26Å; C394-C397 VanDerWaalsContact SG-SG 3.64Å; C394-G398 WeakPolarHBondContact O-CA 3.34Å; C394-G398 PolarHBondContact O-N 3.37Å; C394-K399 WeakPolarHBondContact CB-O 3.47Å; C394-K399 PolarHBondContact N-O 3.1Å; C394-F401 HydrophobicContact CB-CE2 4.33Å; C394-L407 HydrophobicContact CB-CD1 3.59Å; C394-H414 PolarHBondContact SG-NE2 3.1Å; C394-H414 VanDerWaalsContact SG-NE2 3.39Å
395	E	89.4	Confident	87.1	Confident	172 Å²	172	77 Å²	77	80%	0.804	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32	-179.9	-67.5	167.2	176.4	0	0	112.5
396	E	87.1	Confident	87.2	Confident	125 Å²	125	74.4 Å²	74.4	58%	0.584	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.6	-176.6	-68.1	166.5	-154.6	0	0	114.1	C394 H414	C394-E396 VanDerWaalsContact C-N 3.28Å; C394-E396 PolarHBondContact O-N 3.26Å; E396-H414 WeakPolarHBondContact OE2-CB 3.48Å; E396-H414 IonicContact OE2-CD2 2.91Å; E396-H414 PolarHBondContact OE2-CD2 2.81Å; E396-H414 IonicContact OE2-CG 2.98Å; E396-H414 IonicContact OE2-NE2 3.1Å
397	C	87.3	Confident	87.4	Confident	51 Å²	51	72 Å²	72	35%	0.345	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	5.8	-176.3	74.9	0	0	0	0	114.7	C394 K399 H410 H414	C394-C397 VanDerWaalsContact SG-SG 3.64Å; C397-K399 PolarHBondContact O-N 2.87Å; C397-H410 PolarHBondContact SG-NE2 2.75Å; C397-H414 PolarHBondContact SG-NE2 3.38Å
398	G	85.6	Confident	87.6	Confident	60 Å²	60	72.9 Å²	72.9	62%	0.619	41%	0.406	S	S	*	.			trans	68.3	-3.8	-178.5	0	0	0	0	0	115.7	C394 A400	C394-G398 WeakPolarHBondContact O-CA 3.34Å; C394-G398 PolarHBondContact O-N 3.37Å; G398-A400 PolarHBondContact O-N 3.32Å
399	K	87.9	Confident	87.8	Confident	129 Å²	129	73 Å²	73	56%	0.561	40%	0.396	S	S	*	.			trans	-69.5	129.8	-176.3	-71.6	-178.5	179.7	175.9	0	111.7	C394 C397 F401	C394-K399 WeakPolarHBondContact CB-O 3.47Å; C394-K399 PolarHBondContact N-O 3.1Å; C397-K399 PolarHBondContact O-N 2.87Å; K399-F401 HydrophobicContact CB-CE2 3.97Å; K399-F401 HydrophobicContact CB-CZ 4.04Å; K399-F401 WeakPolarHBondContact O-CE2 3.43Å
400	A	89.9	Confident	88	Confident	36 Å²	36	68.8 Å²	68.8	30%	0.298	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.4	179.6	0	0	0	0	0	112.6	K390 Y392 T393 G398	K390-A400 HydrophobicContact CB-CB 3.56Å; K390-A400 HydrophobicContact CD-CB 4.05Å; K390-A400 WeakPolarHBondContact CD-O 3.41Å; K390-A400 HydrophobicContact CG-CB 4.4Å; Y392-A400 CarbonylContact O-C 3.55Å; Y392-A400 WeakPolarHBondContact O-CA 3.41Å; T393-A400 HydrophobicContact CG2-CB 3.84Å; G398-A400 PolarHBondContact O-N 3.32Å
401	F	89.2	Confident	88	Confident	44 Å²	44	66.8 Å²	66.8	19%	0.193	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.1	-177.9	-56.9	-88.6	0	0	0	111.5	K390 Y392 C394 K399 L407 H410	K390-F401 CarbonylContact C-O 3.59Å; K390-F401 VanDerWaalsContact CA-O 3.25Å; K390-F401 WeakPolarHBondContact CA-O 3.25Å; Y392-F401 PolarHBondContact N-O 2.84Å; Y392-F401 VanDerWaalsContact N-O 3.1Å; Y392-F401 PolarHBondContact O-N 3.07Å; C394-F401 HydrophobicContact CB-CE2 4.33Å; K399-F401 HydrophobicContact CB-CE2 3.97Å; K399-F401 HydrophobicContact CB-CZ 4.04Å; K399-F401 WeakPolarHBondContact O-CE2 3.43Å; F401-L407 HydrophobicContact CB-CB 4.47Å; F401-L407 HydrophobicContact CD2-CB 3.99Å; F401-L407 HydrophobicContact CD2-CD1 3.78Å; F401-L407 HydrophobicContact CD2-CG 4.49Å; F401-L407 HydrophobicContact CE2-CD1 3.93Å; F401-L407 HydrophobicContact CG-CB 4.43Å; F401-H410 HydrophobicContact CE1-CB 4.11Å; F401-H410 HydrophobicContact CE2-CB 3.87Å; F401-H410 AromaticContact CE2-CD2 3.54Å; F401-H410 AromaticContact CE2-CG 3.65Å; F401-H410 HydrophobicContact CZ-CB 3.51Å; F401-H410 AromaticContact CZ-CD2 3.56Å; F401-H410 AromaticContact CZ-CG 3.24Å; F401-H410 AromaticContact CZ-ND1 3.64Å
402	N	86.3	Confident	88	Confident	45 Å²	45	66.2 Å²	66.2	24%	0.241	36%	0.356	C	S	.	.	S	Bend	trans	-81.6	-15.5	178.9	60.4	16.2	0	0	0	113.5	R384	R384-N402 HydrophobicContact CB-CB 4.31Å; R384-N402 PolarHBondContact NH1-O 3.03Å; R384-N402 VanDerWaalsContact NH1-O 3.08Å
403	Q	87.4	Confident	87.8	Confident	67 Å²	67	68.2 Å²	68.2	31%	0.313	37%	0.371	S	S	.	.	S	Bend	trans	-131	145.5	-179.8	-65.2	178.8	24.7	0	0	111.9	T406 L407	Q403-T406 HydrophobicContact CB-CG2 4.42Å; Q403-T406 PolarHBondContact O-N 3.41Å; Q403-T406 PolarHBondContact O-OG1 3.22Å; Q403-L407 PolarHBondContact O-N 3.35Å
404	S	87.2	Confident	87.7	Confident	55 Å²	55	67.9 Å²	67.9	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-69.8	-36.7	178.4	56	0	0	0	0	112.4	Y392 T406 L407 I408	Y392-S404 VanDerWaalsContact CD2-N 3.34Å; Y392-S404 VanDerWaalsContact CE2-N 3.31Å; S404-T406 VanDerWaalsContact C-N 3.29Å; S404-T406 PolarHBondContact O-N 2.81Å; S404-L407 WeakPolarHBondContact O-CB 3.42Å; S404-L407 PolarHBondContact O-N 3.03Å; S404-L407 VanDerWaalsContact O-N 3.16Å; S404-I408 WeakPolarHBondContact O-CG1 3.14Å; S404-I408 PolarHBondContact O-N 3.12Å
405	S	87.4	Confident	87.3	Confident	68 Å²	68	71 Å²	71	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-60	-38.7	176.8	49.5	0	0	0	0	112.3	L409	S405-L409 WeakPolarHBondContact O-CB 3.42Å; S405-L409 PolarHBondContact O-N 2.84Å
406	T	87.6	Confident	87	Confident	49 Å²	49	65.1 Å²	65.1	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-70.1	-36.2	176.2	47.1	0	0	0	0	112	Q403 S404 L409 H410	Q403-T406 HydrophobicContact CB-CG2 4.42Å; Q403-T406 PolarHBondContact O-N 3.41Å; Q403-T406 PolarHBondContact O-OG1 3.22Å; S404-T406 VanDerWaalsContact C-N 3.29Å; S404-T406 PolarHBondContact O-N 2.81Å; T406-L409 PolarHBondContact O-N 2.84Å; T406-H410 VanDerWaalsContact O-CB 3.29Å; T406-H410 WeakPolarHBondContact O-CB 3.4Å; T406-H410 PolarHBondContact O-N 2.78Å
407	L	89.9	Confident	86.8	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.11	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-46.2	173	173.7	62.9	0	0	0	111.3	T393 C394 F401 Q403 S404 L409 H410 K411	T393-L407 WeakPolarHBondContact O-CD2 3.27Å; C394-L407 HydrophobicContact CB-CD1 3.59Å; F401-L407 HydrophobicContact CB-CB 4.47Å; F401-L407 HydrophobicContact CD2-CB 3.99Å; F401-L407 HydrophobicContact CD2-CD1 3.78Å; F401-L407 HydrophobicContact CD2-CG 4.49Å; F401-L407 HydrophobicContact CE2-CD1 3.93Å; F401-L407 HydrophobicContact CG-CB 4.43Å; Q403-L407 PolarHBondContact O-N 3.35Å; S404-L407 WeakPolarHBondContact O-CB 3.42Å; S404-L407 PolarHBondContact O-N 3.03Å; S404-L407 VanDerWaalsContact O-N 3.16Å; L407-L409 VanDerWaalsContact C-N 3.3Å; L407-L409 PolarHBondContact O-N 3.37Å; L407-H410 WeakPolarHBondContact O-CB 3.2Å; L407-H410 PolarHBondContact O-N 3.44Å; L407-H410 VanDerWaalsContact O-N 3.1Å; L407-K411 HydrophobicContact CD1-CG 4.3Å; L407-K411 WeakPolarHBondContact O-CG 3.34Å; L407-K411 PolarHBondContact O-N 2.84Å
408	I	87.1	Confident	86.8	Confident	99 Å²	99	67.8 Å²	67.8	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-43.5	177.6	-67.8	166.5	0	0	0	110.6	S404 H410 K411	S404-I408 WeakPolarHBondContact O-CG1 3.14Å; S404-I408 PolarHBondContact O-N 3.12Å; I408-H410 VanDerWaalsContact C-N 3.34Å; I408-K411 PolarHBondContact O-N 2.76Å
409	L	86.9	Confident	86.9	Confident	50 Å²	50	68.4 Å²	68.4	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-40.4	175.4	176.5	63	0	0	0	111.6	S405 T406 L407 R412 R431	S405-L409 WeakPolarHBondContact O-CB 3.42Å; S405-L409 PolarHBondContact O-N 2.84Å; T406-L409 PolarHBondContact O-N 2.84Å; L407-L409 VanDerWaalsContact C-N 3.3Å; L407-L409 PolarHBondContact O-N 3.37Å; L409-R412 WeakPolarHBondContact O-CB 3.5Å; L409-R412 PolarHBondContact O-N 3.27Å; L409-R431 HydrophobicContact CD1-CG 3.53Å; L409-R431 HydrophobicContact CD2-CG 4.1Å; L409-R431 HydrophobicContact CG-CG 4.47Å
410	H	88.5	Confident	87	Confident	22 Å²	22	66.1 Å²	66.1	10%	0.102	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.4	175.2	69.4	0	0	0	112.3	C397 F401 T406 L407 I408 R412 I413 H414	C397-H410 PolarHBondContact SG-NE2 2.75Å; F401-H410 HydrophobicContact CE1-CB 4.11Å; F401-H410 HydrophobicContact CE2-CB 3.87Å; F401-H410 AromaticContact CE2-CD2 3.54Å; F401-H410 AromaticContact CE2-CG 3.65Å; F401-H410 HydrophobicContact CZ-CB 3.51Å; F401-H410 AromaticContact CZ-CD2 3.56Å; F401-H410 AromaticContact CZ-CG 3.24Å; F401-H410 AromaticContact CZ-ND1 3.64Å; T406-H410 VanDerWaalsContact O-CB 3.29Å; T406-H410 WeakPolarHBondContact O-CB 3.4Å; T406-H410 PolarHBondContact O-N 2.78Å; L407-H410 WeakPolarHBondContact O-CB 3.2Å; L407-H410 PolarHBondContact O-N 3.44Å; L407-H410 VanDerWaalsContact O-N 3.1Å; I408-H410 VanDerWaalsContact C-N 3.34Å; H410-R412 PolarHBondContact O-N 2.95Å; H410-I413 VanDerWaalsContact O-CB 3.26Å; H410-I413 WeakPolarHBondContact O-CB 3.32Å; H410-I413 WeakPolarHBondContact O-CG1 3.39Å; H410-I413 PolarHBondContact O-N 3.41Å; H410-H414 AromaticContact CD2-NE2 3.85Å; H410-H414 AromaticContact CE1-NE2 3.91Å; H410-H414 AromaticContact NE2-CE1 3.81Å; H410-H414 AromaticContact NE2-NE2 3.18Å; H410-H414 PolarHBondContact NE2-NE2 2.87Å; H410-H414 VanDerWaalsContact NE2-NE2 3.18Å
411	K	86.4	Confident	86.9	Confident	80 Å²	80	71 Å²	71	35%	0.348	37%	0.372	S	S	.	.	H	α-helix	trans	-57.2	-23.4	176.2	-73.5	-168.6	173.8	-160.9	0	113.1	L407 I408 I413 H414 S415	L407-K411 HydrophobicContact CD1-CG 4.3Å; L407-K411 WeakPolarHBondContact O-CG 3.34Å; L407-K411 PolarHBondContact O-N 2.84Å; I408-K411 PolarHBondContact O-N 2.76Å; K411-I413 PolarHBondContact O-N 3.03Å; K411-H414 PolarHBondContact O-N 2.8Å; K411-S415 PolarHBondContact O-N 3.19Å; K411-S415 VanDerWaalsContact O-N 3.15Å; K411-S415 PolarHBondContact O-OG 3.09Å
412	R	88.4	Confident	87	Confident	58 Å²	58	68.9 Å²	68.9	22%	0.219	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-19.2	173.8	-60.8	-177.1	-176.1	174.5	-2.7	113.9	L409 H410 S415 G416 Q417 T430	L409-R412 WeakPolarHBondContact O-CB 3.5Å; L409-R412 PolarHBondContact O-N 3.27Å; H410-R412 PolarHBondContact O-N 2.95Å; R412-S415 WeakPolarHBondContact CA-OG 3.49Å; R412-G416 CarbonylContact O-C 3.56Å; R412-G416 WeakPolarHBondContact O-CA 3.17Å; R412-G416 PolarHBondContact O-N 3.05Å; R412-G416 VanDerWaalsContact O-N 3.12Å; R412-Q417 PolarHBondContact O-N 3.45Å; R412-T430 PolarHBondContact NH1-O 3.38Å
413	I	85.7	Confident	87.1	Confident	118 Å²	118	74.8 Å²	74.8	61%	0.605	39%	0.389	S	S	*	.	H	α-helix	trans	-69.4	-43.4	175.2	-60	176.1	0	0	0	109.4	H410 K411	H410-I413 VanDerWaalsContact O-CB 3.26Å; H410-I413 WeakPolarHBondContact O-CB 3.32Å; H410-I413 WeakPolarHBondContact O-CG1 3.39Å; H410-I413 PolarHBondContact O-N 3.41Å; K411-I413 PolarHBondContact O-N 3.03Å
414	H	84.5	Confident	87	Confident	75 Å²	75	77.5 Å²	77.5	35%	0.347	40%	0.402	S	S	.	.	H	α-helix	trans	-73.9	-42.4	-179.1	-55.1	-48.3	0	0	0	112.4	C394 E396 C397 H410 K411 G416	C394-H414 PolarHBondContact SG-NE2 3.1Å; C394-H414 VanDerWaalsContact SG-NE2 3.39Å; E396-H414 WeakPolarHBondContact OE2-CB 3.48Å; E396-H414 IonicContact OE2-CD2 2.91Å; E396-H414 PolarHBondContact OE2-CD2 2.81Å; E396-H414 IonicContact OE2-CG 2.98Å; E396-H414 IonicContact OE2-NE2 3.1Å; C397-H414 PolarHBondContact SG-NE2 3.38Å; H410-H414 AromaticContact CD2-NE2 3.85Å; H410-H414 AromaticContact CE1-NE2 3.91Å; H410-H414 AromaticContact NE2-CE1 3.81Å; H410-H414 AromaticContact NE2-NE2 3.18Å; H410-H414 PolarHBondContact NE2-NE2 2.87Å; H410-H414 VanDerWaalsContact NE2-NE2 3.18Å; K411-H414 PolarHBondContact O-N 2.8Å; H414-G416 PolarHBondContact O-N 3.36Å
415	S	84.3	Confident	87	Confident	67 Å²	67	77.4 Å²	77.4	47%	0.469	40%	0.401	S	S	.	.	S	Bend	trans	-77.4	-6.7	177.3	65.7	0	0	0	0	114.2	K411 R412 Q417	K411-S415 PolarHBondContact O-N 3.19Å; K411-S415 VanDerWaalsContact O-N 3.15Å; K411-S415 PolarHBondContact O-OG 3.09Å; R412-S415 WeakPolarHBondContact CA-OG 3.49Å; S415-Q417 PolarHBondContact O-N 3.35Å; S415-Q417 WeakPolarHBondContact OG-CG 3.37Å
416	G	82.7	Confident	86.9	Confident	49 Å²	49	76.7 Å²	76.7	51%	0.505	40%	0.404	S	S	.	.			trans	63.6	6.7	-175.2	0	0	0	0	0	114.8	R412 H414 K418	R412-G416 CarbonylContact O-C 3.56Å; R412-G416 WeakPolarHBondContact O-CA 3.17Å; R412-G416 PolarHBondContact O-N 3.05Å; R412-G416 VanDerWaalsContact O-N 3.12Å; H414-G416 PolarHBondContact O-N 3.36Å; G416-K418 PolarHBondContact O-N 3.44Å
417	Q	83	Confident	86.9	Confident	117 Å²	117	80.5 Å²	80.5	55%	0.547	42%	0.417	S	S	.	.			trans	-65.7	119.2	-175	-74.5	-174	0.6	0	0	111.7	R412 S415 P419	R412-Q417 PolarHBondContact O-N 3.45Å; S415-Q417 PolarHBondContact O-N 3.35Å; S415-Q417 WeakPolarHBondContact OG-CG 3.37Å; Q417-P419 WeakPolarHBondContact O-CD 3.47Å
418	K	88	Confident	86.9	Confident	114 Å²	114	81 Å²	81	50%	0.496	42%	0.424	S	S	.	.			trans	-122.6	80.7	175.5	-68.1	174.4	179.8	-176.1	0	110	G416 Y420 A428 F429 T430	G416-K418 PolarHBondContact O-N 3.44Å; K418-Y420 PolarHBondContact O-N 3.1Å; K418-A428 HydrophobicContact CB-CB 3.56Å; K418-A428 HydrophobicContact CD-CB 4.1Å; K418-A428 WeakPolarHBondContact CD-O 3.36Å; K418-A428 HydrophobicContact CG-CB 4.47Å; K418-F429 CarbonylContact C-O 3.3Å; K418-F429 VanDerWaalsContact C-O 3.27Å; K418-F429 VanDerWaalsContact CA-O 3.29Å; K418-F429 WeakPolarHBondContact CA-O 3.28Å; K418-T430 HydrophobicContact CG-CG2 3.87Å
419	P	87.6	Confident	86.9	Confident	73 Å²	73	78.4 Å²	78.4	47%	0.474	41%	0.409	S	S	.	.			trans	-67.1	-18.7	-171.3	-20.8	33.5	0	0	0	114.2	Q417	Q417-P419 WeakPolarHBondContact O-CD 3.47Å
420	Y	89.6	Confident	86.9	Confident	82 Å²	82	78.1 Å²	78.1	32%	0.322	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	99.7	-171	-55.9	-77.1	0	0	0	109.7	K418 A428 F429	K418-Y420 PolarHBondContact O-N 3.1Å; Y420-A428 CarbonylContact O-C 3.57Å; Y420-A428 WeakPolarHBondContact O-CA 3.42Å; Y420-F429 PolarHBondContact N-O 3.12Å; Y420-F429 PolarHBondContact O-N 3.3Å
421	K	86.6	Confident	86.8	Confident	137 Å²	137	82.6 Å²	82.6	60%	0.596	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.5	178.2	-63	-176.3	-178.6	-179.8	0	110.9	A428 L435	K421-A428 HydrophobicContact CG-CB 3.98Å; K421-L435 WeakPolarHBondContact O-CD2 3.33Å
422	C	91.2	Very high	86.8	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.007	43%	0.427	C	S	.	.			trans	-85.9	120.6	168.2	-179.8	0	0	0	0	108.5	E424 G426 K427 F429 L435	C422-E424 VanDerWaalsContact C-N 3.26Å; C422-E424 PolarHBondContact O-N 3.42Å; C422-G426 WeakPolarHBondContact O-CA 3.42Å; C422-G426 PolarHBondContact O-N 2.84Å; C422-K427 WeakPolarHBondContact CB-O 2.86Å; C422-K427 PolarHBondContact N-O 3.42Å; C422-F429 HydrophobicContact CB-CE2 4.36Å; C422-L435 HydrophobicContact CB-CD1 3.61Å
423	E	88.6	Confident	86.7	Confident	169 Å²	169	81.7 Å²	81.7	79%	0.79	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.5	179.3	-57.6	-53.1	140.6	0	0	112.5
424	E	86.1	Confident	86.7	Confident	123 Å²	123	78 Å²	78	58%	0.575	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-29.5	-174.2	-64.3	173.7	-139	0	0	113.8	C422 H442	C422-E424 VanDerWaalsContact C-N 3.26Å; C422-E424 PolarHBondContact O-N 3.42Å; E424-H442 WeakPolarHBondContact OE2-CB 3.47Å; E424-H442 IonicContact OE2-CD2 3.88Å; E424-H442 IonicContact OE2-CG 2.86Å; E424-H442 IonicContact OE2-ND1 2.95Å
425	C	86.8	Confident	86.9	Confident	53 Å²	53	75.1 Å²	75.1	36%	0.358	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	6.5	179.5	72.2	0	0	0	0	114.9	K427 H438 H442	C425-K427 PolarHBondContact O-N 2.81Å; C425-H438 PolarHBondContact SG-NE2 2.69Å; C425-H442 PolarHBondContact SG-NE2 2.96Å; C425-H442 VanDerWaalsContact SG-NE2 3.39Å
426	G	85.2	Confident	86.9	Confident	54 Å²	54	76.9 Å²	76.9	56%	0.557	41%	0.41	S	S	*	.			trans	69.1	-3.1	179.9	0	0	0	0	0	115.4	C422 A428	C422-G426 WeakPolarHBondContact O-CA 3.42Å; C422-G426 PolarHBondContact O-N 2.84Å; G426-A428 PolarHBondContact O-N 2.94Å
427	K	87.4	Confident	87	Confident	128 Å²	128	79.3 Å²	79.3	56%	0.557	41%	0.408	S	S	*	.			trans	-66.5	129.5	-177.8	-75.2	-177.4	-179.2	176.1	0	111.4	C422 C425 F429	C422-K427 WeakPolarHBondContact CB-O 2.86Å; C422-K427 PolarHBondContact N-O 3.42Å; C425-K427 PolarHBondContact O-N 2.81Å; K427-F429 HydrophobicContact CB-CE2 3.85Å; K427-F429 HydrophobicContact CB-CZ 4.02Å; K427-F429 WeakPolarHBondContact O-CD2 3.3Å; K427-F429 WeakPolarHBondContact O-CE2 3.41Å
428	A	89.8	Confident	87.2	Confident	33 Å²	33	74.7 Å²	74.7	27%	0.273	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.8	179	0	0	0	0	0	112	K418 Y420 K421 G426	K418-A428 HydrophobicContact CB-CB 3.56Å; K418-A428 HydrophobicContact CD-CB 4.1Å; K418-A428 WeakPolarHBondContact CD-O 3.36Å; K418-A428 HydrophobicContact CG-CB 4.47Å; Y420-A428 CarbonylContact O-C 3.57Å; Y420-A428 WeakPolarHBondContact O-CA 3.42Å; K421-A428 HydrophobicContact CG-CB 3.98Å; G426-A428 PolarHBondContact O-N 2.94Å
429	F	88.2	Confident	87	Confident	44 Å²	44	73.1 Å²	73.1	19%	0.193	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.1	-177.4	-59.6	-90.6	0	0	0	111.5	K418 Y420 C422 K427 L435 H438	K418-F429 CarbonylContact C-O 3.3Å; K418-F429 VanDerWaalsContact C-O 3.27Å; K418-F429 VanDerWaalsContact CA-O 3.29Å; K418-F429 WeakPolarHBondContact CA-O 3.28Å; Y420-F429 PolarHBondContact N-O 3.12Å; Y420-F429 PolarHBondContact O-N 3.3Å; C422-F429 HydrophobicContact CB-CE2 4.36Å; K427-F429 HydrophobicContact CB-CE2 3.85Å; K427-F429 HydrophobicContact CB-CZ 4.02Å; K427-F429 WeakPolarHBondContact O-CD2 3.3Å; K427-F429 WeakPolarHBondContact O-CE2 3.41Å; F429-L435 HydrophobicContact CB-CB 4.39Å; F429-L435 HydrophobicContact CD2-CB 3.99Å; F429-L435 HydrophobicContact CD2-CD1 3.76Å; F429-L435 HydrophobicContact CD2-CG 4.47Å; F429-L435 HydrophobicContact CE2-CD1 3.91Å; F429-L435 HydrophobicContact CG-CB 4.33Å; F429-H438 HydrophobicContact CE1-CB 4.03Å; F429-H438 HydrophobicContact CE2-CB 4.01Å; F429-H438 AromaticContact CE2-CD2 3.36Å; F429-H438 WeakPolarHBondContact CE2-CD2 3.36Å; F429-H438 AromaticContact CE2-CG 3.72Å; F429-H438 AromaticContact CE2-NE2 4Å; F429-H438 HydrophobicContact CZ-CB 3.53Å; F429-H438 AromaticContact CZ-CD2 3.36Å; F429-H438 WeakPolarHBondContact CZ-CD2 3.42Å; F429-H438 AromaticContact CZ-CG 3.25Å; F429-H438 AromaticContact CZ-ND1 3.78Å; F429-H438 AromaticContact CZ-NE2 3.88Å
430	T	85.8	Confident	86.9	Confident	43 Å²	43	73.1 Å²	73.1	26%	0.264	37%	0.372	S	S	.	.	S	Bend	trans	-79.3	-19.3	178.2	55.4	0	0	0	0	112.9	R412 K418	R412-T430 PolarHBondContact NH1-O 3.38Å; K418-T430 HydrophobicContact CG-CG2 3.87Å
431	R	86.8	Confident	86.6	Confident	117 Å²	117	73 Å²	73	44%	0.442	38%	0.376	S	S	.	.	S	Bend	trans	-131	147.9	-178.2	-59.9	170.1	63.3	169.7	-4.9	111.4	L409 T433 T434 L435	L409-R431 HydrophobicContact CD1-CG 3.53Å; L409-R431 HydrophobicContact CD2-CG 4.1Å; L409-R431 HydrophobicContact CG-CG 4.47Å; R431-T433 PolarHBondContact NE-OG1 2.77Å; R431-T433 PolarHBondContact NH2-OG1 3.28Å; R431-T434 HydrophobicContact CB-CG2 4.3Å; R431-T434 PolarHBondContact O-OG1 2.86Å; R431-L435 PolarHBondContact O-N 3.14Å
432	S	86.8	Confident	86.4	Confident	55 Å²	55	69.7 Å²	69.7	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-36	173.4	56.1	0	0	0	0	112.3	T434 L435 N436	S432-T434 VanDerWaalsContact C-N 3.33Å; S432-T434 PolarHBondContact O-N 3.17Å; S432-L435 WeakPolarHBondContact O-CB 3.36Å; S432-L435 PolarHBondContact O-N 3.19Å; S432-N436 PolarHBondContact O-N 3.2Å
433	T	85.7	Confident	85.8	Confident	63 Å²	63	73.5 Å²	73.5	39%	0.387	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-42.5	179.7	56.5	0	0	0	0	111.7	R431 L435 N436 E437	R431-T433 PolarHBondContact NE-OG1 2.77Å; R431-T433 PolarHBondContact NH2-OG1 3.28Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-N436 PolarHBondContact O-N 3.08Å; T433-E437 WeakPolarHBondContact O-CG 3.24Å; T433-E437 PolarHBondContact O-N 2.9Å
434	T	86.5	Confident	85.3	Confident	40 Å²	40	67.5 Å²	67.5	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-32.7	177.5	51.5	0	0	0	0	112.1	R431 S432 H438	R431-T434 HydrophobicContact CB-CG2 4.3Å; R431-T434 PolarHBondContact O-OG1 2.86Å; S432-T434 VanDerWaalsContact C-N 3.33Å; S432-T434 PolarHBondContact O-N 3.17Å; T434-H438 VanDerWaalsContact O-CB 3.24Å; T434-H438 WeakPolarHBondContact O-CB 3.47Å; T434-H438 PolarHBondContact O-N 3.47Å
435	L	88.6	Confident	84.9	Confident	16 Å²	16	67.2 Å²	67.2	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-45.7	171.3	172.2	63.4	0	0	0	110.9	K421 C422 F429 R431 S432 T433 E437 H438 K439	K421-L435 WeakPolarHBondContact O-CD2 3.33Å; C422-L435 HydrophobicContact CB-CD1 3.61Å; F429-L435 HydrophobicContact CB-CB 4.39Å; F429-L435 HydrophobicContact CD2-CB 3.99Å; F429-L435 HydrophobicContact CD2-CD1 3.76Å; F429-L435 HydrophobicContact CD2-CG 4.47Å; F429-L435 HydrophobicContact CE2-CD1 3.91Å; F429-L435 HydrophobicContact CG-CB 4.33Å; R431-L435 PolarHBondContact O-N 3.14Å; S432-L435 WeakPolarHBondContact O-CB 3.36Å; S432-L435 PolarHBondContact O-N 3.19Å; T433-L435 VanDerWaalsContact C-N 3.34Å; L435-E437 VanDerWaalsContact C-N 3.35Å; L435-E437 PolarHBondContact O-N 2.93Å; L435-H438 WeakPolarHBondContact O-CB 3.31Å; L435-H438 PolarHBondContact O-N 2.95Å; L435-K439 HydrophobicContact CD1-CG 4.4Å; L435-K439 WeakPolarHBondContact O-CG 3.36Å; L435-K439 PolarHBondContact O-N 3.11Å
436	N	84.8	Confident	84.7	Confident	104 Å²	104	70 Å²	70	56%	0.556	37%	0.374	S	S	*	.	H	α-helix	trans	-62.9	-40.1	177.3	-86.7	9.2	0	0	0	112.4	S432 T433 H438 K439	S432-N436 PolarHBondContact O-N 3.2Å; T433-N436 PolarHBondContact O-N 3.08Å; N436-H438 VanDerWaalsContact C-N 3.33Å; N436-K439 PolarHBondContact O-N 3.39Å
437	E	84.1	Confident	84.7	Confident	99 Å²	99	71.1 Å²	71.1	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-40.2	172.8	-74.4	170.6	176.2	0	0	111.8	T433 L435 K440	T433-E437 WeakPolarHBondContact O-CG 3.24Å; T433-E437 PolarHBondContact O-N 2.9Å; L435-E437 VanDerWaalsContact C-N 3.35Å; L435-E437 PolarHBondContact O-N 2.93Å; E437-K440 WeakPolarHBondContact O-CB 3.43Å; E437-K440 PolarHBondContact O-N 3.01Å
438	H	87.1	Confident	84.7	Confident	20 Å²	20	69 Å²	69	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-38.9	176	171.2	64.6	0	0	0	112.6	C425 F429 T434 L435 N436 K440 I441 H442	C425-H438 PolarHBondContact SG-NE2 2.69Å; F429-H438 HydrophobicContact CE1-CB 4.03Å; F429-H438 HydrophobicContact CE2-CB 4.01Å; F429-H438 AromaticContact CE2-CD2 3.36Å; F429-H438 WeakPolarHBondContact CE2-CD2 3.36Å; F429-H438 AromaticContact CE2-CG 3.72Å; F429-H438 AromaticContact CE2-NE2 4Å; F429-H438 HydrophobicContact CZ-CB 3.53Å; F429-H438 AromaticContact CZ-CD2 3.36Å; F429-H438 WeakPolarHBondContact CZ-CD2 3.42Å; F429-H438 AromaticContact CZ-CG 3.25Å; F429-H438 AromaticContact CZ-ND1 3.78Å; F429-H438 AromaticContact CZ-NE2 3.88Å; T434-H438 VanDerWaalsContact O-CB 3.24Å; T434-H438 WeakPolarHBondContact O-CB 3.47Å; T434-H438 PolarHBondContact O-N 3.47Å; L435-H438 WeakPolarHBondContact O-CB 3.31Å; L435-H438 PolarHBondContact O-N 2.95Å; N436-H438 VanDerWaalsContact C-N 3.33Å; H438-K440 PolarHBondContact O-N 2.86Å; H438-K440 VanDerWaalsContact O-N 3.14Å; H438-I441 VanDerWaalsContact O-CB 3.24Å; H438-I441 WeakPolarHBondContact O-CB 3.43Å; H438-I441 WeakPolarHBondContact O-CG1 3.46Å; H438-I441 PolarHBondContact O-N 2.69Å; H438-H442 AromaticContact CD2-NE2 3.97Å; H438-H442 AromaticContact CE1-NE2 3.57Å; H438-H442 AromaticContact NE2-CD2 3.98Å; H438-H442 AromaticContact NE2-NE2 3.2Å; H438-H442 PolarHBondContact NE2-NE2 3.35Å; H438-H442 VanDerWaalsContact NE2-NE2 3.2Å
439	K	84.9	Confident	84.5	Confident	81 Å²	81	74 Å²	74	35%	0.352	38%	0.377	S	S	.	.	H	α-helix	trans	-56.4	-29.6	176.6	-76.8	-175.4	173.9	-165.4	0	113	L435 N436 I441 H442 T443	L435-K439 HydrophobicContact CD1-CG 4.4Å; L435-K439 WeakPolarHBondContact O-CG 3.36Å; L435-K439 PolarHBondContact O-N 3.11Å; N436-K439 PolarHBondContact O-N 3.39Å; K439-I441 PolarHBondContact O-N 3.42Å; K439-H442 PolarHBondContact O-N 3.21Å; K439-T443 PolarHBondContact O-N 2.96Å
440	K	84.6	Confident	84.6	Confident	73 Å²	73	72.1 Å²	72.1	32%	0.317	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-23.2	174.6	-60.3	-176.7	175.3	-173.7	0	113.7	E437 H438 H442 T443 G444 I458	E437-K440 WeakPolarHBondContact O-CB 3.43Å; E437-K440 PolarHBondContact O-N 3.01Å; H438-K440 PolarHBondContact O-N 2.86Å; H438-K440 VanDerWaalsContact O-N 3.14Å; K440-H442 VanDerWaalsContact C-N 3.32Å; K440-T443 WeakPolarHBondContact CA-OG1 3.43Å; K440-T443 PolarHBondContact O-OG1 2.79Å; K440-G444 PolarHBondContact O-N 3.48Å; K440-I458 HydrophobicContact CB-CG2 3.84Å
441	I	83.9	Confident	84.7	Confident	79 Å²	79	78.3 Å²	78.3	41%	0.405	39%	0.394	S	S	.	.	H	α-helix	trans	-69.7	-36.1	175.8	-59	172.6	0	0	0	110.2	H438 K439 I458 W459	H438-I441 VanDerWaalsContact O-CB 3.24Å; H438-I441 WeakPolarHBondContact O-CB 3.43Å; H438-I441 WeakPolarHBondContact O-CG1 3.46Å; H438-I441 PolarHBondContact O-N 2.69Å; K439-I441 PolarHBondContact O-N 3.42Å; I441-I458 HydrophobicContact CG1-CD1 4.33Å; I441-W459 HydrophobicContact CD1-CH2 4.13Å; I441-W459 HydrophobicContact CD1-CZ2 4.11Å; I441-W459 HydrophobicContact CG1-CH2 4.38Å; I441-W459 HydrophobicContact CG1-CZ2 4.22Å
442	H	81.9	Confident	84.6	Confident	68 Å²	68	78.9 Å²	78.9	32%	0.315	40%	0.402	S	S	.	.	H	α-helix	trans	-78.9	-37.7	-179.1	-63.5	-64	0	0	0	113.2	E424 C425 H438 K439 K440 G444	E424-H442 WeakPolarHBondContact OE2-CB 3.47Å; E424-H442 IonicContact OE2-CD2 3.88Å; E424-H442 IonicContact OE2-CG 2.86Å; E424-H442 IonicContact OE2-ND1 2.95Å; C425-H442 PolarHBondContact SG-NE2 2.96Å; C425-H442 VanDerWaalsContact SG-NE2 3.39Å; H438-H442 AromaticContact CD2-NE2 3.97Å; H438-H442 AromaticContact CE1-NE2 3.57Å; H438-H442 AromaticContact NE2-CD2 3.98Å; H438-H442 AromaticContact NE2-NE2 3.2Å; H438-H442 PolarHBondContact NE2-NE2 3.35Å; H438-H442 VanDerWaalsContact NE2-NE2 3.2Å; K439-H442 PolarHBondContact O-N 3.21Å; K440-H442 VanDerWaalsContact C-N 3.32Å; H442-G444 PolarHBondContact O-N 3.06Å
443	T	79.4	Confident	84.6	Confident	81 Å²	81	78.7 Å²	78.7	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-16.4	175	61.9	0	0	0	0	112.4	K439 K440 E445	K439-T443 PolarHBondContact O-N 2.96Å; K440-T443 WeakPolarHBondContact CA-OG1 3.43Å; K440-T443 PolarHBondContact O-OG1 2.79Å; T443-E445 PolarHBondContact O-N 3.48Å
444	G	76.3	Confident	84.6	Confident	43 Å²	43	78.4 Å²	78.4	44%	0.443	41%	0.41	S	S	.	.			trans	65.8	6	-176.9	0	0	0	0	0	113.5	K440 H442 K446	K440-G444 PolarHBondContact O-N 3.48Å; H442-G444 PolarHBondContact O-N 3.06Å; G444-K446 PolarHBondContact O-N 3.32Å
445	E	77.9	Confident	84.6	Confident	117 Å²	117	82.5 Å²	82.5	55%	0.547	42%	0.424	S	S	.	.			trans	-61.9	122	178.9	-72.8	-179	174.1	0	0	109.2	T443 P447	T443-E445 PolarHBondContact O-N 3.48Å; E445-P447 VanDerWaalsContact C-CD 3.5Å; E445-P447 WeakPolarHBondContact O-CD 3.34Å
446	K	83.6	Confident	84.6	Confident	113 Å²	113	83.2 Å²	83.2	49%	0.491	43%	0.432	S	S	.	.			trans	-118	78.5	176.1	-69.6	169.6	177.5	-174	0	109	G444 Y448 A456 F457 I458	G444-K446 PolarHBondContact O-N 3.32Å; K446-Y448 PolarHBondContact O-N 3.21Å; K446-A456 HydrophobicContact CB-CB 3.53Å; K446-A456 HydrophobicContact CD-CB 4.02Å; K446-A456 WeakPolarHBondContact CD-O 3.41Å; K446-A456 HydrophobicContact CG-CB 4.39Å; K446-F457 CarbonylContact C-O 3.56Å; K446-F457 VanDerWaalsContact C-O 3.3Å; K446-F457 VanDerWaalsContact CA-O 3.28Å; K446-F457 WeakPolarHBondContact CA-O 3.28Å; K446-I458 HydrophobicContact CG-CG1 3.85Å
447	P	84.6	Confident	84.7	Confident	77 Å²	77	80.3 Å²	80.3	50%	0.5	42%	0.415	S	S	.	.			trans	-66	-19.7	-173.2	-20.2	33.5	0	0	0	113.3	E445	E445-P447 VanDerWaalsContact C-CD 3.5Å; E445-P447 WeakPolarHBondContact O-CD 3.34Å
448	Y	87.1	Confident	84.7	Confident	83 Å²	83	77 Å²	77	33%	0.325	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	94.8	-171.1	-56.6	-76.1	0	0	0	110.1	K446 A456 F457 I458 W459	K446-Y448 PolarHBondContact O-N 3.21Å; Y448-A456 CarbonylContact O-C 3.58Å; Y448-A456 WeakPolarHBondContact O-CA 3.38Å; Y448-F457 PolarHBondContact N-O 3.19Å; Y448-F457 PolarHBondContact O-N 3.43Å; Y448-I458 WeakPolarHBondContact CD2-O 3.48Å; Y448-I458 VanDerWaalsContact CE2-O 3.28Å; Y448-I458 WeakPolarHBondContact CE2-O 3.45Å; Y448-W459 VanDerWaalsContact CD2-C 3.41Å
449	K	86.1	Confident	84.6	Confident	139 Å²	139	81.3 Å²	81.3	60%	0.604	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.3	177.5	-63.8	-177.7	-179.7	179.1	0	111.1	A456	K449-A456 HydrophobicContact CG-CB 3.93Å
450	C	90.8	Very high	84.7	Confident	3 Å²	3	80.8 Å²	80.8	2%	0.02	42%	0.422	C	S	.	.			trans	-89.1	118.6	170.1	177.1	0	0	0	0	108.8	E452 C453 G454 K455 F457 L463 H470	C450-E452 VanDerWaalsContact C-N 3.29Å; C450-E452 PolarHBondContact O-N 2.87Å; C450-C453 VanDerWaalsContact SG-SG 3.61Å; C450-G454 WeakPolarHBondContact O-CA 3.42Å; C450-G454 PolarHBondContact O-N 3.17Å; C450-K455 VanDerWaalsContact CB-O 3.31Å; C450-K455 WeakPolarHBondContact CB-O 3.41Å; C450-K455 PolarHBondContact N-O 3.09Å; C450-F457 HydrophobicContact CB-CE2 4.42Å; C450-L463 HydrophobicContact CB-CD1 3.63Å; C450-H470 PolarHBondContact SG-NE2 3.14Å; C450-H470 VanDerWaalsContact SG-NE2 3.43Å
451	E	87.3	Confident	84.7	Confident	173 Å²	173	80.6 Å²	80.6	81%	0.808	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.5	-179.2	-57.4	-53.7	140.8	0	0	112.8
452	E	84.8	Confident	84.9	Confident	129 Å²	129	78.6 Å²	78.6	60%	0.603	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-26.9	-175	-68.4	167.6	174.9	0	0	113.9	C450 H470	C450-E452 VanDerWaalsContact C-N 3.29Å; C450-E452 PolarHBondContact O-N 2.87Å; E452-H470 WeakPolarHBondContact OE2-CB 2.86Å; E452-H470 IonicContact OE2-CD2 3.06Å; E452-H470 PolarHBondContact OE2-CD2 2.91Å; E452-H470 IonicContact OE2-CG 2.85Å; E452-H470 IonicContact OE2-NE2 2.96Å
453	C	87.1	Confident	85.1	Confident	52 Å²	52	76.4 Å²	76.4	35%	0.351	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	6.2	-177.5	74.5	0	0	0	0	114.8	C450 K455 H466 H470	C450-C453 VanDerWaalsContact SG-SG 3.61Å; C453-K455 PolarHBondContact O-N 3.48Å; C453-H466 PolarHBondContact SG-NE2 3.14Å; C453-H470 PolarHBondContact SG-NE2 3.33Å; C453-H470 VanDerWaalsContact SG-NE2 3.4Å
454	G	84.4	Confident	85.4	Confident	57 Å²	57	77.5 Å²	77.5	59%	0.588	42%	0.42	S	S	*	.			trans	69	-3.2	179.4	0	0	0	0	0	115.7	C450 A456	C450-G454 WeakPolarHBondContact O-CA 3.42Å; C450-G454 PolarHBondContact O-N 3.17Å; G454-A456 PolarHBondContact O-N 3.25Å
455	K	86.6	Confident	85.9	Confident	126 Å²	126	78.6 Å²	78.6	55%	0.548	41%	0.414	S	S	.	.			trans	-67.3	131	-178.8	-72.5	-178.9	-177.7	174.5	0	111.3	C450 C453 F457	C450-K455 VanDerWaalsContact CB-O 3.31Å; C450-K455 WeakPolarHBondContact CB-O 3.41Å; C450-K455 PolarHBondContact N-O 3.09Å; C453-K455 PolarHBondContact O-N 3.48Å; K455-F457 HydrophobicContact CB-CE2 3.96Å; K455-F457 HydrophobicContact CB-CZ 4.12Å; K455-F457 WeakPolarHBondContact O-CE2 3.42Å
456	A	88.6	Confident	86.4	Confident	30 Å²	30	73.8 Å²	73.8	25%	0.248	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143	-179.3	0	0	0	0	0	112.1	K446 Y448 K449 G454	K446-A456 HydrophobicContact CB-CB 3.53Å; K446-A456 HydrophobicContact CD-CB 4.02Å; K446-A456 WeakPolarHBondContact CD-O 3.41Å; K446-A456 HydrophobicContact CG-CB 4.39Å; Y448-A456 CarbonylContact O-C 3.58Å; Y448-A456 WeakPolarHBondContact O-CA 3.38Å; K449-A456 HydrophobicContact CG-CB 3.93Å; G454-A456 PolarHBondContact O-N 3.25Å
457	F	86.8	Confident	86.5	Confident	44 Å²	44	73 Å²	73	19%	0.193	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.9	-177.1	-58.3	-90.8	0	0	0	111.1	K446 Y448 C450 K455 L463 H466	K446-F457 CarbonylContact C-O 3.56Å; K446-F457 VanDerWaalsContact C-O 3.3Å; K446-F457 VanDerWaalsContact CA-O 3.28Å; K446-F457 WeakPolarHBondContact CA-O 3.28Å; Y448-F457 PolarHBondContact N-O 3.19Å; Y448-F457 PolarHBondContact O-N 3.43Å; C450-F457 HydrophobicContact CB-CE2 4.42Å; K455-F457 HydrophobicContact CB-CE2 3.96Å; K455-F457 HydrophobicContact CB-CZ 4.12Å; K455-F457 WeakPolarHBondContact O-CE2 3.42Å; F457-L463 HydrophobicContact CB-CB 4.4Å; F457-L463 HydrophobicContact CD2-CB 3.97Å; F457-L463 HydrophobicContact CD2-CD1 3.8Å; F457-L463 HydrophobicContact CD2-CG 4.5Å; F457-L463 HydrophobicContact CE2-CD1 3.96Å; F457-L463 HydrophobicContact CG-CB 4.36Å; F457-H466 HydrophobicContact CE1-CB 4.04Å; F457-H466 HydrophobicContact CE2-CB 3.87Å; F457-H466 AromaticContact CE2-CD2 3.46Å; F457-H466 VanDerWaalsContact CE2-CD2 3.46Å; F457-H466 WeakPolarHBondContact CE2-CD2 3.43Å; F457-H466 AromaticContact CE2-CG 3.64Å; F457-H466 HydrophobicContact CZ-CB 3.45Å; F457-H466 VanDerWaalsContact CZ-CB 3.45Å; F457-H466 AromaticContact CZ-CD2 3.54Å; F457-H466 AromaticContact CZ-CG 3.24Å; F457-H466 AromaticContact CZ-ND1 3.71Å
458	I	84.3	Confident	86.6	Confident	30 Å²	30	70 Å²	70	15%	0.154	37%	0.368	C	S	.	.	S	Bend	trans	-76.3	-30.5	177.9	-57.9	175	0	0	0	110.9	K440 I441 K446 Y448	K440-I458 HydrophobicContact CB-CG2 3.84Å; I441-I458 HydrophobicContact CG1-CD1 4.33Å; K446-I458 HydrophobicContact CG-CG1 3.85Å; Y448-I458 WeakPolarHBondContact CD2-O 3.48Å; Y448-I458 VanDerWaalsContact CE2-O 3.28Å; Y448-I458 WeakPolarHBondContact CE2-O 3.45Å
459	W	86	Confident	86.5	Confident	110 Å²	110	70.9 Å²	70.9	42%	0.417	38%	0.377	S	S	.	.	S	Bend	trans	-122.9	144.5	-177.3	-56	-68.4	0	0	0	112.3	I441 Y448 A461 S462 L463	I441-W459 HydrophobicContact CD1-CH2 4.13Å; I441-W459 HydrophobicContact CD1-CZ2 4.11Å; I441-W459 HydrophobicContact CG1-CH2 4.38Å; I441-W459 HydrophobicContact CG1-CZ2 4.22Å; Y448-W459 VanDerWaalsContact CD2-C 3.41Å; W459-A461 PolarHBondContact O-N 2.87Å; W459-S462 PolarHBondContact O-N 3.42Å; W459-L463 PolarHBondContact O-N 2.85Å
460	S	86.3	Confident	86.4	Confident	69 Å²	69	67.8 Å²	67.8	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-37.1	177.5	57.5	0	0	0	0	113	S462 L463 N464	S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 3.47Å; S460-L463 WeakPolarHBondContact O-CB 3.3Å; S460-L463 PolarHBondContact O-N 3.04Å; S460-N464 PolarHBondContact O-N 2.93Å
461	A	86.1	Confident	86	Confident	70 Å²	70	71.2 Å²	71.2	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-60.4	-39.9	177.1	0	0	0	0	0	111.8	W459 N464 E465	W459-A461 PolarHBondContact O-N 2.87Å; A461-N464 PolarHBondContact O-N 3.27Å; A461-E465 WeakPolarHBondContact O-CB 3.4Å; A461-E465 PolarHBondContact O-N 2.91Å
462	S	86.2	Confident	85.7	Confident	36 Å²	36	65.2 Å²	65.2	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-37.5	176.1	-54.9	0	0	0	0	112.3	W459 S460 H466	W459-S462 PolarHBondContact O-N 3.42Å; S460-S462 VanDerWaalsContact C-N 3.29Å; S460-S462 PolarHBondContact O-N 3.47Å; S462-H466 VanDerWaalsContact O-CB 3.25Å; S462-H466 WeakPolarHBondContact O-CB 3.08Å; S462-H466 PolarHBondContact O-N 3.27Å
463	L	87.9	Confident	85.7	Confident	22 Å²	22	64.5 Å²	64.5	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-63.6	-43.6	171.7	173.8	63.5	0	0	0	111.1	C450 F457 W459 S460 H466 K467	C450-L463 HydrophobicContact CB-CD1 3.63Å; F457-L463 HydrophobicContact CB-CB 4.4Å; F457-L463 HydrophobicContact CD2-CB 3.97Å; F457-L463 HydrophobicContact CD2-CD1 3.8Å; F457-L463 HydrophobicContact CD2-CG 4.5Å; F457-L463 HydrophobicContact CE2-CD1 3.96Å; F457-L463 HydrophobicContact CG-CB 4.36Å; W459-L463 PolarHBondContact O-N 2.85Å; S460-L463 WeakPolarHBondContact O-CB 3.3Å; S460-L463 PolarHBondContact O-N 3.04Å; L463-H466 WeakPolarHBondContact O-CB 3.42Å; L463-H466 PolarHBondContact O-N 3.09Å; L463-K467 HydrophobicContact CD1-CG 4.5Å; L463-K467 WeakPolarHBondContact O-CG 3.22Å; L463-K467 PolarHBondContact O-N 3.34Å
464	N	85.8	Confident	85.6	Confident	104 Å²	104	67.7 Å²	67.7	56%	0.556	38%	0.375	S	S	*	.	H	α-helix	trans	-64.4	-42.8	180	-160.8	68.8	0	0	0	111.9	S460 A461 H466 K467 N468	S460-N464 PolarHBondContact O-N 2.93Å; A461-N464 PolarHBondContact O-N 3.27Å; N464-H466 VanDerWaalsContact C-N 3.29Å; N464-H466 PolarHBondContact O-N 3.13Å; N464-K467 PolarHBondContact O-N 3.23Å; N464-N468 PolarHBondContact O-OD1 3.4Å
465	E	85.8	Confident	85.7	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-36.3	172.9	-176.4	175.6	-148.9	0	0	112.2	A461 N468 Q487	A461-E465 WeakPolarHBondContact O-CB 3.4Å; A461-E465 PolarHBondContact O-N 2.91Å; E465-N468 WeakPolarHBondContact O-CB 3.38Å; E465-N468 PolarHBondContact O-N 2.88Å; E465-Q487 VanDerWaalsContact CD-NE2 3.31Å; E465-Q487 HydrophobicContact CG-CG 3.77Å; E465-Q487 VanDerWaalsContact OE1-CB 3.27Å; E465-Q487 WeakPolarHBondContact OE1-CB 3.21Å; E465-Q487 WeakPolarHBondContact OE1-CG 3.49Å; E465-Q487 PolarHBondContact OE1-NE2 2.96Å; E465-Q487 VanDerWaalsContact OE1-NE2 3.08Å
466	H	87.5	Confident	85.7	Confident	17 Å²	17	67 Å²	67	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-67	-38.7	175.4	172.7	66.5	0	0	0	112.7	C453 F457 S462 L463 N464 N468 I469 H470	C453-H466 PolarHBondContact SG-NE2 3.14Å; F457-H466 HydrophobicContact CE1-CB 4.04Å; F457-H466 HydrophobicContact CE2-CB 3.87Å; F457-H466 AromaticContact CE2-CD2 3.46Å; F457-H466 VanDerWaalsContact CE2-CD2 3.46Å; F457-H466 WeakPolarHBondContact CE2-CD2 3.43Å; F457-H466 AromaticContact CE2-CG 3.64Å; F457-H466 HydrophobicContact CZ-CB 3.45Å; F457-H466 VanDerWaalsContact CZ-CB 3.45Å; F457-H466 AromaticContact CZ-CD2 3.54Å; F457-H466 AromaticContact CZ-CG 3.24Å; F457-H466 AromaticContact CZ-ND1 3.71Å; S462-H466 VanDerWaalsContact O-CB 3.25Å; S462-H466 WeakPolarHBondContact O-CB 3.08Å; S462-H466 PolarHBondContact O-N 3.27Å; L463-H466 WeakPolarHBondContact O-CB 3.42Å; L463-H466 PolarHBondContact O-N 3.09Å; N464-H466 VanDerWaalsContact C-N 3.29Å; N464-H466 PolarHBondContact O-N 3.13Å; H466-N468 PolarHBondContact O-N 3.28Å; H466-I469 VanDerWaalsContact O-CB 3.27Å; H466-I469 WeakPolarHBondContact O-CB 3.39Å; H466-I469 WeakPolarHBondContact O-CG1 3.22Å; H466-I469 PolarHBondContact O-N 3.29Å; H466-H470 AromaticContact CD2-NE2 3.84Å; H466-H470 AromaticContact CE1-NE2 3.55Å; H466-H470 AromaticContact NE2-CD2 3.91Å; H466-H470 AromaticContact NE2-CE1 3.89Å; H466-H470 AromaticContact NE2-NE2 3.04Å; H466-H470 PolarHBondContact NE2-NE2 3.39Å
467	K	85.9	Confident	85.6	Confident	95 Å²	95	72.5 Å²	72.5	41%	0.413	38%	0.379	S	S	.	.	H	α-helix	trans	-57.4	-31.4	177.7	-76.1	-176.1	175.1	-166.5	0	112.9	L463 N464 I469 H470 T471	L463-K467 HydrophobicContact CD1-CG 4.5Å; L463-K467 WeakPolarHBondContact O-CG 3.22Å; L463-K467 PolarHBondContact O-N 3.34Å; N464-K467 PolarHBondContact O-N 3.23Å; K467-I469 PolarHBondContact O-N 3.24Å; K467-H470 PolarHBondContact O-N 3.46Å; K467-T471 PolarHBondContact O-N 2.84Å; K467-T471 VanDerWaalsContact O-N 3.12Å; K467-T471 PolarHBondContact O-OG1 3.2Å
468	N	87.2	Confident	85.7	Confident	16 Å²	16	70.6 Å²	70.6	9%	0.086	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-20.7	174.9	-62.1	-10.9	0	0	0	113.5	N464 E465 H466 T471 G472 E473 N486	N464-N468 PolarHBondContact O-OD1 3.4Å; E465-N468 WeakPolarHBondContact O-CB 3.38Å; E465-N468 PolarHBondContact O-N 2.88Å; H466-N468 PolarHBondContact O-N 3.28Å; N468-T471 WeakPolarHBondContact CA-OG1 3.24Å; N468-G472 CarbonylContact O-C 3.39Å; N468-G472 WeakPolarHBondContact O-CA 2.94Å; N468-G472 PolarHBondContact O-N 3.33Å; N468-E473 PolarHBondContact O-N 3.17Å; N468-N486 HydrophobicContact CB-CB 4.07Å; N468-N486 PolarHBondContact ND2-O 2.87Å
469	I	85	Confident	85.7	Confident	100 Å²	100	78.4 Å²	78.4	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-72.6	-39	176.5	-60.1	173.6	0	0	0	110.7	H466 K467	H466-I469 VanDerWaalsContact O-CB 3.27Å; H466-I469 WeakPolarHBondContact O-CB 3.39Å; H466-I469 WeakPolarHBondContact O-CG1 3.22Å; H466-I469 PolarHBondContact O-N 3.29Å; K467-I469 PolarHBondContact O-N 3.24Å
470	H	84.3	Confident	85.6	Confident	75 Å²	75	79.5 Å²	79.5	35%	0.347	41%	0.414	S	S	.	.	H	α-helix	trans	-81.1	-41.5	-177.6	-57.5	-53.2	0	0	0	111.9	C450 E452 C453 H466 K467 G472	C450-H470 PolarHBondContact SG-NE2 3.14Å; C450-H470 VanDerWaalsContact SG-NE2 3.43Å; E452-H470 WeakPolarHBondContact OE2-CB 2.86Å; E452-H470 IonicContact OE2-CD2 3.06Å; E452-H470 PolarHBondContact OE2-CD2 2.91Å; E452-H470 IonicContact OE2-CG 2.85Å; E452-H470 IonicContact OE2-NE2 2.96Å; C453-H470 PolarHBondContact SG-NE2 3.33Å; C453-H470 VanDerWaalsContact SG-NE2 3.4Å; H466-H470 AromaticContact CD2-NE2 3.84Å; H466-H470 AromaticContact CE1-NE2 3.55Å; H466-H470 AromaticContact NE2-CD2 3.91Å; H466-H470 AromaticContact NE2-CE1 3.89Å; H466-H470 AromaticContact NE2-NE2 3.04Å; H466-H470 PolarHBondContact NE2-NE2 3.39Å; K467-H470 PolarHBondContact O-N 3.46Å; H470-G472 PolarHBondContact O-N 3.01Å
471	T	82.8	Confident	85.5	Confident	75 Å²	75	78.8 Å²	78.8	46%	0.46	41%	0.408	S	S	.	.	S	Bend	trans	-74.1	-14.4	176.5	61.9	0	0	0	0	112.7	K467 N468 E473	K467-T471 PolarHBondContact O-N 2.84Å; K467-T471 VanDerWaalsContact O-N 3.12Å; K467-T471 PolarHBondContact O-OG1 3.2Å; N468-T471 WeakPolarHBondContact CA-OG1 3.24Å; T471-E473 PolarHBondContact O-N 3.22Å; T471-E473 VanDerWaalsContact O-N 3.15Å; T471-E473 WeakPolarHBondContact OG1-CB 3.41Å; T471-E473 WeakPolarHBondContact OG1-CG 3.41Å; T471-E473 PolarHBondContact OG1-N 2.95Å
472	G	81.4	Confident	85.4	Confident	47 Å²	47	78.1 Å²	78.1	49%	0.485	41%	0.408	S	S	.	.			trans	66.8	6.7	-172.3	0	0	0	0	0	113.7	N468 H470 K474	N468-G472 CarbonylContact O-C 3.39Å; N468-G472 WeakPolarHBondContact O-CA 2.94Å; N468-G472 PolarHBondContact O-N 3.33Å; H470-G472 PolarHBondContact O-N 3.01Å; G472-K474 PolarHBondContact O-N 3.25Å
473	E	82.9	Confident	85.3	Confident	114 Å²	114	82.6 Å²	82.6	53%	0.533	42%	0.423	S	S	.	.			trans	-61.9	130.9	-179.2	-75.8	-175.4	172.5	0	0	110.8	N468 T471 P475	N468-E473 PolarHBondContact O-N 3.17Å; T471-E473 PolarHBondContact O-N 3.22Å; T471-E473 VanDerWaalsContact O-N 3.15Å; T471-E473 WeakPolarHBondContact OG1-CB 3.41Å; T471-E473 WeakPolarHBondContact OG1-CG 3.41Å; T471-E473 PolarHBondContact OG1-N 2.95Å; E473-P475 WeakPolarHBondContact O-CD 3.4Å
474	K	86.1	Confident	85.3	Confident	118 Å²	118	83 Å²	83	51%	0.513	43%	0.43	S	S	.	.			trans	-123.1	76.7	176.2	-68.3	172.7	179.9	-179.6	0	109.6	G472 Y476 A484 F485 N486	G472-K474 PolarHBondContact O-N 3.25Å; K474-Y476 PolarHBondContact O-N 3.15Å; K474-Y476 VanDerWaalsContact O-N 3.16Å; K474-A484 HydrophobicContact CB-CB 3.47Å; K474-A484 VanDerWaalsContact CB-CB 3.47Å; K474-A484 HydrophobicContact CD-CB 4.12Å; K474-A484 WeakPolarHBondContact CD-O 3.27Å; K474-A484 HydrophobicContact CG-CB 4.41Å; K474-F485 CarbonylContact C-O 3.24Å; K474-F485 VanDerWaalsContact C-O 3.23Å; K474-F485 VanDerWaalsContact CA-O 3.25Å; K474-F485 WeakPolarHBondContact CA-O 3.49Å; K474-N486 HydrophobicContact CG-CB 4.48Å
475	P	86.1	Confident	85.3	Confident	73 Å²	73	80.2 Å²	80.2	47%	0.474	41%	0.413	S	S	.	.			trans	-63.3	-24.1	-172.8	-22.3	34.2	0	0	0	113.3	E473 K477	E473-P475 WeakPolarHBondContact O-CD 3.4Å; P475-K477 PolarHBondContact O-N 2.57Å
476	Y	87.3	Confident	85.2	Confident	95 Å²	95	79.6 Å²	79.6	37%	0.373	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	92	-171.3	-56.1	-77.5	0	0	0	110.7	K474 A484 F485	K474-Y476 PolarHBondContact O-N 3.15Å; K474-Y476 VanDerWaalsContact O-N 3.16Å; Y476-A484 CarbonylContact O-C 3.24Å; Y476-A484 WeakPolarHBondContact O-CA 3.49Å; Y476-F485 WeakPolarHBondContact CB-O 3.24Å; Y476-F485 PolarHBondContact N-O 3.16Å; Y476-F485 VanDerWaalsContact N-O 3.13Å; Y476-F485 PolarHBondContact O-N 2.94Å
477	K	86.3	Confident	85.1	Confident	147 Å²	147	81.9 Å²	81.9	64%	0.639	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.1	178.9	-61.6	-175.8	-178.6	-180	0	112.2	P475 A484	P475-K477 PolarHBondContact O-N 2.57Å; K477-A484 HydrophobicContact CG-CB 3.92Å
478	C	88.4	Confident	85	Confident	3 Å²	3	79.9 Å²	79.9	2%	0.02	42%	0.421	C	S	.	.			trans	-74.1	126.2	168.5	-177.6	0	0	0	0	109.6	E480 G482 K483 L491 H498	C478-E480 VanDerWaalsContact C-N 3.33Å; C478-E480 PolarHBondContact SG-N 3.49Å; C478-G482 WeakPolarHBondContact O-CA 3.47Å; C478-G482 PolarHBondContact O-N 3.17Å; C478-K483 VanDerWaalsContact CB-O 3.27Å; C478-K483 WeakPolarHBondContact CB-O 3.43Å; C478-K483 PolarHBondContact N-O 3.24Å; C478-L491 HydrophobicContact CB-CD1 3.75Å; C478-H498 PolarHBondContact SG-NE2 3.26Å; C478-H498 VanDerWaalsContact SG-NE2 3.44Å
479	K	84.1	Confident	84.8	Confident	195 Å²	195	81.6 Å²	81.6	85%	0.848	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.2	178.7	-66.5	-172.3	175.9	-172.8	0	112.7
480	E	83.2	Confident	84.7	Confident	132 Å²	132	77.8 Å²	77.8	62%	0.617	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-37.6	-174	-68.8	156.8	179	0	0	112.8	C478 H498	C478-E480 VanDerWaalsContact C-N 3.33Å; C478-E480 PolarHBondContact SG-N 3.49Å; E480-H498 WeakPolarHBondContact OE2-CB 3.36Å; E480-H498 IonicContact OE2-CD2 2.96Å; E480-H498 PolarHBondContact OE2-CD2 3.33Å; E480-H498 IonicContact OE2-CG 3.13Å
481	C	84.8	Confident	84.7	Confident	54 Å²	54	75 Å²	75	37%	0.365	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	10.1	-177.4	82.1	0	0	0	0	114.5	K483 H494 H498	C481-K483 PolarHBondContact O-N 2.88Å; C481-H494 PolarHBondContact SG-NE2 3Å; C481-H498 VanDerWaalsContact SG-CE1 3.56Å; C481-H498 PolarHBondContact SG-NE2 2.82Å
482	G	83.4	Confident	84.6	Confident	56 Å²	56	77 Å²	77	58%	0.577	41%	0.413	S	S	*	.			trans	68.6	-7.2	178.1	0	0	0	0	0	116.1	C478 A484	C478-G482 WeakPolarHBondContact O-CA 3.47Å; C478-G482 PolarHBondContact O-N 3.17Å; G482-A484 PolarHBondContact O-N 3.45Å
483	K	85.5	Confident	84.4	Confident	130 Å²	130	77.8 Å²	77.8	57%	0.565	41%	0.405	S	S	*	.			trans	-63.5	130.7	-178.4	-76.6	-178.4	-179.9	175.9	0	111	C478 C481 F485	C478-K483 VanDerWaalsContact CB-O 3.27Å; C478-K483 WeakPolarHBondContact CB-O 3.43Å; C478-K483 PolarHBondContact N-O 3.24Å; C481-K483 PolarHBondContact O-N 2.88Å; K483-F485 HydrophobicContact CB-CE2 4.02Å; K483-F485 HydrophobicContact CB-CZ 4.15Å; K483-F485 WeakPolarHBondContact O-CE2 3.49Å
484	A	87.8	Confident	84.4	Confident	31 Å²	31	73 Å²	73	26%	0.256	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145	-178.1	0	0	0	0	0	111.6	K474 Y476 K477 G482	K474-A484 HydrophobicContact CB-CB 3.47Å; K474-A484 VanDerWaalsContact CB-CB 3.47Å; K474-A484 HydrophobicContact CD-CB 4.12Å; K474-A484 WeakPolarHBondContact CD-O 3.27Å; K474-A484 HydrophobicContact CG-CB 4.41Å; Y476-A484 CarbonylContact O-C 3.24Å; Y476-A484 WeakPolarHBondContact O-CA 3.49Å; K477-A484 HydrophobicContact CG-CB 3.92Å; G482-A484 PolarHBondContact O-N 3.45Å
485	F	85.9	Confident	84	Confident	45 Å²	45	72.7 Å²	72.7	20%	0.197	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.4	-179.7	-58.5	-90.4	0	0	0	110.3	K474 Y476 K483 Q487 L491 H494	K474-F485 CarbonylContact C-O 3.24Å; K474-F485 VanDerWaalsContact C-O 3.23Å; K474-F485 VanDerWaalsContact CA-O 3.25Å; K474-F485 WeakPolarHBondContact CA-O 3.49Å; Y476-F485 WeakPolarHBondContact CB-O 3.24Å; Y476-F485 PolarHBondContact N-O 3.16Å; Y476-F485 VanDerWaalsContact N-O 3.13Å; Y476-F485 PolarHBondContact O-N 2.94Å; K483-F485 HydrophobicContact CB-CE2 4.02Å; K483-F485 HydrophobicContact CB-CZ 4.15Å; K483-F485 WeakPolarHBondContact O-CE2 3.49Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; F485-L491 HydrophobicContact CB-CB 4.46Å; F485-L491 HydrophobicContact CD2-CB 3.96Å; F485-L491 HydrophobicContact CD2-CD1 3.97Å; F485-L491 HydrophobicContact CE2-CD1 4.16Å; F485-L491 HydrophobicContact CG-CB 4.4Å; F485-H494 HydrophobicContact CE1-CB 3.9Å; F485-H494 HydrophobicContact CE2-CB 3.64Å; F485-H494 AromaticContact CE2-CD2 3.36Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.21Å; F485-H494 AromaticContact CE2-CG 3.49Å; F485-H494 VanDerWaalsContact CE2-CG 3.49Å; F485-H494 HydrophobicContact CZ-CB 3.29Å; F485-H494 AromaticContact CZ-CD2 3.49Å; F485-H494 VanDerWaalsContact CZ-CD2 3.49Å; F485-H494 WeakPolarHBondContact CZ-CD2 3.5Å; F485-H494 AromaticContact CZ-CG 3.14Å; F485-H494 AromaticContact CZ-ND1 3.62Å
486	N	83.6	Confident	83.5	Confident	54 Å²	54	70 Å²	70	29%	0.289	36%	0.361	S	S	.	.	S	Bend	trans	-79	-17	175.4	57.1	-3.9	0	0	0	112.8	N468 K474	N468-N486 HydrophobicContact CB-CB 4.07Å; N468-N486 PolarHBondContact ND2-O 2.87Å; K474-N486 HydrophobicContact CG-CB 4.48Å
487	Q	84.3	Confident	83	Confident	65 Å²	65	70.5 Å²	70.5	30%	0.304	37%	0.37	S	S	.	.	S	Bend	trans	-128.2	144.2	-179.9	-54.1	-170.1	-25.6	0	0	111.3	E465 F485 S489 G490 L491	E465-Q487 VanDerWaalsContact CD-NE2 3.31Å; E465-Q487 HydrophobicContact CG-CG 3.77Å; E465-Q487 VanDerWaalsContact OE1-CB 3.27Å; E465-Q487 WeakPolarHBondContact OE1-CB 3.21Å; E465-Q487 WeakPolarHBondContact OE1-CG 3.49Å; E465-Q487 PolarHBondContact OE1-NE2 2.96Å; E465-Q487 VanDerWaalsContact OE1-NE2 3.08Å; F485-Q487 VanDerWaalsContact C-N 3.32Å; Q487-S489 PolarHBondContact O-N 3.21Å; Q487-G490 PolarHBondContact O-N 2.91Å; Q487-L491 PolarHBondContact O-N 3.41Å
488	S	84.1	Confident	82.4	Confident	53 Å²	53	66.9 Å²	66.9	37%	0.371	36%	0.355	S	S	.	.	H	α-helix	trans	-66.5	-36.9	179.1	61.6	0	0	0	0	112.4	G490 L491 I492	S488-G490 VanDerWaalsContact C-N 3.28Å; S488-G490 PolarHBondContact O-N 3.3Å; S488-L491 PolarHBondContact O-N 3.16Å; S488-L491 VanDerWaalsContact O-N 3.16Å; S488-I492 WeakPolarHBondContact O-CG1 3.36Å; S488-I492 PolarHBondContact O-N 3.14Å
489	S	83.3	Confident	81.4	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-57.8	-41.5	173.8	57.5	0	0	0	0	111.5	Q487 L491 I492 I493	Q487-S489 PolarHBondContact O-N 3.21Å; S489-L491 VanDerWaalsContact C-N 3.35Å; S489-L491 PolarHBondContact O-N 3.2Å; S489-I492 PolarHBondContact O-N 3.06Å; S489-I493 WeakPolarHBondContact O-CB 3.27Å; S489-I493 VanDerWaalsContact O-CG1 3.24Å; S489-I493 WeakPolarHBondContact O-CG1 3.47Å; S489-I493 PolarHBondContact O-N 3.38Å
490	G	83	Confident	80.2	Confident	19 Å²	19	68.8 Å²	68.8	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-42.9	174.9	0	0	0	0	0	112.4	Q487 S488 H494	Q487-G490 PolarHBondContact O-N 2.91Å; S488-G490 VanDerWaalsContact C-N 3.28Å; S488-G490 PolarHBondContact O-N 3.3Å; G490-H494 WeakPolarHBondContact O-CB 3.27Å; G490-H494 PolarHBondContact O-N 3.22Å
491	L	83.9	Confident	79.2	Confident	16 Å²	16	68.3 Å²	68.3	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-43.6	175.2	175.5	62.2	0	0	0	112.2	C478 F485 Q487 S488 S489 H494 R495	C478-L491 HydrophobicContact CB-CD1 3.75Å; F485-L491 HydrophobicContact CB-CB 4.46Å; F485-L491 HydrophobicContact CD2-CB 3.96Å; F485-L491 HydrophobicContact CD2-CD1 3.97Å; F485-L491 HydrophobicContact CE2-CD1 4.16Å; F485-L491 HydrophobicContact CG-CB 4.4Å; Q487-L491 PolarHBondContact O-N 3.41Å; S488-L491 PolarHBondContact O-N 3.16Å; S488-L491 VanDerWaalsContact O-N 3.16Å; S489-L491 VanDerWaalsContact C-N 3.35Å; S489-L491 PolarHBondContact O-N 3.2Å; L491-H494 PolarHBondContact O-N 3.26Å; L491-R495 HydrophobicContact CD1-CG 4.33Å; L491-R495 WeakPolarHBondContact O-CG 2.93Å; L491-R495 PolarHBondContact O-N 2.99Å
492	I	81.6	Confident	78.2	Confident	118 Å²	118	71.4 Å²	71.4	61%	0.605	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-46.9	177.8	-67.8	167.9	0	0	0	110.3	S488 S489 H494 R495	S488-I492 WeakPolarHBondContact O-CG1 3.36Å; S488-I492 PolarHBondContact O-N 3.14Å; S489-I492 PolarHBondContact O-N 3.06Å; I492-H494 VanDerWaalsContact C-N 3.31Å; I492-H494 PolarHBondContact O-N 3.5Å; I492-R495 PolarHBondContact O-N 3.44Å
493	I	77.1	Confident	77.3	Confident	63 Å²	63	74.1 Å²	74.1	32%	0.323	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-42	176.1	-69.2	167.1	0	0	0	110.3	S489 R495 S496 R515	S489-I493 WeakPolarHBondContact O-CB 3.27Å; S489-I493 VanDerWaalsContact O-CG1 3.24Å; S489-I493 WeakPolarHBondContact O-CG1 3.47Å; S489-I493 PolarHBondContact O-N 3.38Å; I493-R495 PolarHBondContact O-N 3.33Å; I493-S496 WeakPolarHBondContact O-CB 3.27Å; I493-S496 PolarHBondContact O-N 2.79Å; I493-S496 PolarHBondContact O-OG 3.47Å; I493-R515 HydrophobicContact CG2-CG 4.18Å
494	H	82	Confident	76.8	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.065	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-38	179.3	174	66.3	0	0	0	112.9	C481 F485 G490 L491 I492 S496 I497 H498	C481-H494 PolarHBondContact SG-NE2 3Å; F485-H494 HydrophobicContact CE1-CB 3.9Å; F485-H494 HydrophobicContact CE2-CB 3.64Å; F485-H494 AromaticContact CE2-CD2 3.36Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.21Å; F485-H494 AromaticContact CE2-CG 3.49Å; F485-H494 VanDerWaalsContact CE2-CG 3.49Å; F485-H494 HydrophobicContact CZ-CB 3.29Å; F485-H494 AromaticContact CZ-CD2 3.49Å; F485-H494 VanDerWaalsContact CZ-CD2 3.49Å; F485-H494 WeakPolarHBondContact CZ-CD2 3.5Å; F485-H494 AromaticContact CZ-CG 3.14Å; F485-H494 AromaticContact CZ-ND1 3.62Å; G490-H494 WeakPolarHBondContact O-CB 3.27Å; G490-H494 PolarHBondContact O-N 3.22Å; L491-H494 PolarHBondContact O-N 3.26Å; I492-H494 VanDerWaalsContact C-N 3.31Å; I492-H494 PolarHBondContact O-N 3.5Å; H494-S496 PolarHBondContact O-N 3.4Å; H494-S496 VanDerWaalsContact O-N 3.17Å; H494-I497 VanDerWaalsContact O-CB 3.27Å; H494-I497 WeakPolarHBondContact O-CB 3.45Å; H494-I497 WeakPolarHBondContact O-CG1 3.25Å; H494-I497 PolarHBondContact O-N 3.35Å; H494-H498 AromaticContact CD2-NE2 3.77Å; H494-H498 AromaticContact CE1-NE2 3.5Å; H494-H498 AromaticContact NE2-CD2 3.86Å; H494-H498 AromaticContact NE2-CE1 3.87Å; H494-H498 AromaticContact NE2-NE2 2.99Å; H494-H498 PolarHBondContact NE2-NE2 3.13Å
495	R	78.4	Confident	76.2	Confident	112 Å²	112	77.4 Å²	77.4	42%	0.423	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-27.9	175.4	-76.9	-178.8	-177.8	-173.7	1.3	113.1	L491 I492 I493 I497 H498 S499	L491-R495 HydrophobicContact CD1-CG 4.33Å; L491-R495 WeakPolarHBondContact O-CG 2.93Å; L491-R495 PolarHBondContact O-N 2.99Å; I492-R495 PolarHBondContact O-N 3.44Å; I493-R495 PolarHBondContact O-N 3.33Å; R495-I497 PolarHBondContact O-N 3.11Å; R495-I497 VanDerWaalsContact O-N 3.16Å; R495-H498 PolarHBondContact O-N 3.5Å; R495-H498 VanDerWaalsContact O-N 3.15Å; R495-S499 PolarHBondContact O-N 3.16Å; R495-S499 PolarHBondContact O-OG 3.08Å
496	S	76.2	Confident	76.1	Confident	15 Å²	15	75.3 Å²	75.3	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-17.1	174.3	74.8	0	0	0	0	114	I493 H494 S499	I493-S496 WeakPolarHBondContact O-CB 3.27Å; I493-S496 PolarHBondContact O-N 2.79Å; I493-S496 PolarHBondContact O-OG 3.47Å; H494-S496 PolarHBondContact O-N 3.4Å; H494-S496 VanDerWaalsContact O-N 3.17Å; S496-S499 WeakPolarHBondContact CA-OG 3.5Å
497	I	75.5	Confident	76.1	Confident	107 Å²	107	80.7 Å²	80.7	55%	0.549	40%	0.399	S	S	.	.	H	α-helix	trans	-76.6	-38.2	176	-59.4	171.7	0	0	0	110.7	H494 R495	H494-I497 VanDerWaalsContact O-CB 3.27Å; H494-I497 WeakPolarHBondContact O-CB 3.45Å; H494-I497 WeakPolarHBondContact O-CG1 3.25Å; H494-I497 PolarHBondContact O-N 3.35Å; R495-I497 PolarHBondContact O-N 3.11Å; R495-I497 VanDerWaalsContact O-N 3.16Å
498	H	75.2	Confident	75.9	Confident	71 Å²	71	84 Å²	84	33%	0.329	42%	0.415	S	S	.	.	H	α-helix	trans	-79.6	-23.6	-179.3	-59.6	-51.2	0	0	0	113.2	C478 E480 C481 H494 R495	C478-H498 PolarHBondContact SG-NE2 3.26Å; C478-H498 VanDerWaalsContact SG-NE2 3.44Å; E480-H498 WeakPolarHBondContact OE2-CB 3.36Å; E480-H498 IonicContact OE2-CD2 2.96Å; E480-H498 PolarHBondContact OE2-CD2 3.33Å; E480-H498 IonicContact OE2-CG 3.13Å; C481-H498 VanDerWaalsContact SG-CE1 3.56Å; C481-H498 PolarHBondContact SG-NE2 2.82Å; H494-H498 AromaticContact CD2-NE2 3.77Å; H494-H498 AromaticContact CE1-NE2 3.5Å; H494-H498 AromaticContact NE2-CD2 3.86Å; H494-H498 AromaticContact NE2-CE1 3.87Å; H494-H498 AromaticContact NE2-NE2 2.99Å; H494-H498 PolarHBondContact NE2-NE2 3.13Å; R495-H498 PolarHBondContact O-N 3.5Å; R495-H498 VanDerWaalsContact O-N 3.15Å
499	S	67.7	Low	75.9	Confident	59 Å²	59	83.9 Å²	83.9	41%	0.413	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.6	-173.1	35.1	0	0	0	0	114.2	R495 S496 Q501	R495-S499 PolarHBondContact O-N 3.16Å; R495-S499 PolarHBondContact O-OG 3.08Å; S496-S499 WeakPolarHBondContact CA-OG 3.5Å; S499-Q501 VanDerWaalsContact O-CG 3.31Å; S499-Q501 WeakPolarHBondContact O-CG 3.35Å; S499-Q501 PolarHBondContact O-N 3.26Å
500	E	58.5	Low	75.6	Confident	178 Å²	178	84.2 Å²	84.2	83%	0.832	43%	0.425	S	S	*	.			trans	47.7	1.5	-171.3	-67.1	-164.2	163.3	0	0	116	K502	E500-K502 PolarHBondContact O-N 2.93Å
501	Q	62.3	Low	75.5	Confident	122 Å²	122	89.3 Å²	89.3	57%	0.57	44%	0.442	S	S	*	.			trans	-75.9	87.1	-177.7	-68.2	-156.4	-6.7	0	0	109.6	S499 L503	S499-Q501 VanDerWaalsContact O-CG 3.31Å; S499-Q501 WeakPolarHBondContact O-CG 3.35Å; S499-Q501 PolarHBondContact O-N 3.26Å; Q501-L503 HydrophobicContact CB-CD2 4.26Å; Q501-L503 HydrophobicContact CB-CG 4.27Å; Q501-L503 PolarHBondContact O-N 2.94Å
502	K	62.8	Low	75.3	Confident	120 Å²	120	90 Å²	90	52%	0.522	45%	0.45	S	S	.	.			trans	-71.8	82.9	162.1	-64.6	172.6	178.1	177.7	0	108.6	E500 Y504 A512 F513 T514	E500-K502 PolarHBondContact O-N 2.93Å; K502-Y504 PolarHBondContact O-N 3.19Å; K502-A512 HydrophobicContact CB-CB 3.41Å; K502-A512 VanDerWaalsContact CB-CB 3.41Å; K502-A512 HydrophobicContact CD-CB 3.78Å; K502-A512 WeakPolarHBondContact CD-O 3.4Å; K502-A512 HydrophobicContact CG-CB 4.22Å; K502-F513 CarbonylContact C-O 3.54Å; K502-F513 WeakPolarHBondContact CA-O 3.28Å; K502-T514 HydrophobicContact CG-CG2 4.19Å
503	L	65.3	Low	75.2	Confident	112 Å²	112	86.5 Å²	86.5	59%	0.586	43%	0.43	S	S	*	.			trans	-65	-22.4	-173.8	-68.7	167.2	0	0	0	114	Q501 F513	Q501-L503 HydrophobicContact CB-CD2 4.26Å; Q501-L503 HydrophobicContact CB-CG 4.27Å; Q501-L503 PolarHBondContact O-N 2.94Å; L503-F513 PolarHBondContact N-O 3.31Å
504	Y	73.7	Confident	75	Confident	95 Å²	95	86.1 Å²	86.1	37%	0.373	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	94.8	-171	-59.5	-79.4	0	0	0	110.3	K502 A512 F513 R515 S516	K502-Y504 PolarHBondContact O-N 3.19Å; Y504-A512 CarbonylContact O-C 3.55Å; Y504-A512 WeakPolarHBondContact O-CA 3.39Å; Y504-F513 PolarHBondContact N-O 3.39Å; Y504-F513 VanDerWaalsContact N-O 3.1Å; Y504-F513 PolarHBondContact O-N 3.17Å; Y504-R515 VanDerWaalsContact CD2-C 3.49Å; Y504-S516 VanDerWaalsContact CE1-CB 3.43Å
505	K	76.3	Confident	74.8	Confident	135 Å²	135	91.4 Å²	91.4	59%	0.587	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.6	177.8	-63.6	-176.3	-178.7	179.6	0	111.1	A512 L519	K505-A512 HydrophobicContact CG-CB 3.96Å; K505-L519 WeakPolarHBondContact O-CD2 3.44Å
506	C	84.5	Confident	74.8	Confident	2 Å²	2	88.5 Å²	88.5	1%	0.014	45%	0.447	C	S	.	.			trans	-85.7	115.4	168.2	179.8	0	0	0	0	108.4	E508 G510 K511 F513 L519 H526	C506-E508 PolarHBondContact O-N 3.48Å; C506-G510 WeakPolarHBondContact O-CA 3.28Å; C506-G510 PolarHBondContact O-N 3.35Å; C506-K511 WeakPolarHBondContact CB-O 3.33Å; C506-K511 PolarHBondContact N-O 3.29Å; C506-F513 HydrophobicContact CB-CE2 4.37Å; C506-L519 HydrophobicContact CB-CD1 3.61Å; C506-H526 PolarHBondContact SG-NE2 3.18Å
507	E	82.7	Confident	75.1	Confident	166 Å²	166	92 Å²	92	78%	0.776	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.2	179.1	-58	-54.7	140.1	0	0	112.5
508	E	80.8	Confident	75.5	Confident	134 Å²	134	88.2 Å²	88.2	63%	0.626	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-28.7	-176.3	-69.1	166.5	-168.8	0	0	113.6	C506 H526	C506-E508 PolarHBondContact O-N 3.48Å; E508-H526 WeakPolarHBondContact OE2-CB 3.49Å; E508-H526 IonicContact OE2-CD2 3.96Å; E508-H526 PolarHBondContact OE2-CD2 2.92Å; E508-H526 IonicContact OE2-CG 2.93Å; E508-H526 IonicContact OE2-NE2 3.95Å
509	C	83.1	Confident	75.9	Confident	52 Å²	52	85.5 Å²	85.5	35%	0.351	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	10.2	-177	82.5	0	0	0	0	114.7	K511 H522 H526	C509-K511 PolarHBondContact O-N 2.9Å; C509-K511 VanDerWaalsContact SG-CG 3.59Å; C509-H522 PolarHBondContact SG-NE2 2.64Å; C509-H526 PolarHBondContact SG-NE2 2.78Å; C509-H526 VanDerWaalsContact SG-NE2 3.45Å
510	G	78.4	Confident	76.6	Confident	58 Å²	58	87 Å²	87	60%	0.598	44%	0.444	S	S	*	.			trans	66.4	-2.9	178.8	0	0	0	0	0	116	C506 A512	C506-G510 WeakPolarHBondContact O-CA 3.28Å; C506-G510 PolarHBondContact O-N 3.35Å; G510-A512 PolarHBondContact O-N 3.23Å
511	K	79.8	Confident	77.8	Confident	126 Å²	126	83 Å²	83	55%	0.548	43%	0.426	S	S	.	.			trans	-68.4	130.5	-177.1	-74.8	-179.5	-177.5	174.6	0	110.4	C506 C509 F513	C506-K511 WeakPolarHBondContact CB-O 3.33Å; C506-K511 PolarHBondContact N-O 3.29Å; C509-K511 PolarHBondContact O-N 2.9Å; C509-K511 VanDerWaalsContact SG-CG 3.59Å; K511-F513 HydrophobicContact CB-CE2 3.85Å; K511-F513 HydrophobicContact CB-CZ 4.08Å; K511-F513 WeakPolarHBondContact O-CE2 3.45Å
512	A	79.3	Confident	78.8	Confident	31 Å²	31	78.1 Å²	78.1	26%	0.256	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.2	-177.8	0	0	0	0	0	111.5	K502 Y504 K505 G510	K502-A512 HydrophobicContact CB-CB 3.41Å; K502-A512 VanDerWaalsContact CB-CB 3.41Å; K502-A512 HydrophobicContact CD-CB 3.78Å; K502-A512 WeakPolarHBondContact CD-O 3.4Å; K502-A512 HydrophobicContact CG-CB 4.22Å; Y504-A512 CarbonylContact O-C 3.55Å; Y504-A512 WeakPolarHBondContact O-CA 3.39Å; K505-A512 HydrophobicContact CG-CB 3.96Å; G510-A512 PolarHBondContact O-N 3.23Å
513	F	79.7	Confident	79.7	Confident	44 Å²	44	76.7 Å²	76.7	19%	0.193	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.4	-175.7	-60.3	-92.5	0	0	0	110.6	K502 L503 Y504 C506 K511 A518 L519 H522	K502-F513 CarbonylContact C-O 3.54Å; K502-F513 WeakPolarHBondContact CA-O 3.28Å; L503-F513 PolarHBondContact N-O 3.31Å; Y504-F513 PolarHBondContact N-O 3.39Å; Y504-F513 VanDerWaalsContact N-O 3.1Å; Y504-F513 PolarHBondContact O-N 3.17Å; C506-F513 HydrophobicContact CB-CE2 4.37Å; K511-F513 HydrophobicContact CB-CE2 3.85Å; K511-F513 HydrophobicContact CB-CZ 4.08Å; K511-F513 WeakPolarHBondContact O-CE2 3.45Å; F513-A518 HydrophobicContact CB-CB 4.34Å; F513-A518 HydrophobicContact CD1-CB 3.95Å; F513-A518 HydrophobicContact CG-CB 4.44Å; F513-L519 HydrophobicContact CB-CB 4.31Å; F513-L519 HydrophobicContact CD2-CB 4.01Å; F513-L519 HydrophobicContact CD2-CD1 3.76Å; F513-L519 HydrophobicContact CD2-CG 4.49Å; F513-L519 HydrophobicContact CE2-CD1 3.97Å; F513-L519 HydrophobicContact CG-CB 4.29Å; F513-H522 HydrophobicContact CE1-CB 3.93Å; F513-H522 HydrophobicContact CE2-CB 3.9Å; F513-H522 AromaticContact CE2-CD2 3.41Å; F513-H522 VanDerWaalsContact CE2-CD2 3.41Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.25Å; F513-H522 AromaticContact CE2-CG 3.66Å; F513-H522 HydrophobicContact CZ-CB 3.42Å; F513-H522 VanDerWaalsContact CZ-CB 3.42Å; F513-H522 AromaticContact CZ-CD2 3.45Å; F513-H522 VanDerWaalsContact CZ-CD2 3.45Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.43Å; F513-H522 AromaticContact CZ-CG 3.21Å; F513-H522 AromaticContact CZ-ND1 3.74Å
514	T	73.8	Confident	80.6	Confident	55 Å²	55	73.9 Å²	73.9	34%	0.337	38%	0.38	S	S	.	.	S	Bend	trans	-82.4	-15.1	176.8	52.6	0	0	0	0	113	K502	K502-T514 HydrophobicContact CG-CG2 4.19Å
515	R	76.4	Confident	80.9	Confident	125 Å²	125	74.1 Å²	74.1	47%	0.472	39%	0.386	S	S	.	.	S	Bend	trans	-132.7	140.4	-177.7	-58.7	178.7	-173.9	179.7	-2.6	110.7	I493 Y504 T517 A518 L519	I493-R515 HydrophobicContact CG2-CG 4.18Å; Y504-R515 VanDerWaalsContact CD2-C 3.49Å; R515-T517 VanDerWaalsContact C-N 3.31Å; R515-T517 PolarHBondContact O-N 2.82Å; R515-A518 HydrophobicContact CB-CB 4.22Å; R515-A518 PolarHBondContact O-N 3.19Å; R515-L519 PolarHBondContact O-N 3.22Å
516	S	79.9	Confident	81.1	Confident	51 Å²	51	71.2 Å²	71.2	36%	0.357	38%	0.375	S	S	.	.	H	α-helix	trans	-67.3	-31.8	177.7	91.8	0	0	0	0	112.7	Y504 A518 L519 N520	Y504-S516 VanDerWaalsContact CE1-CB 3.43Å; S516-A518 VanDerWaalsContact C-N 3.33Å; S516-A518 PolarHBondContact O-N 3.17Å; S516-L519 PolarHBondContact O-N 2.81Å; S516-N520 PolarHBondContact O-N 3.39Å
517	T	82.7	Confident	80.8	Confident	88 Å²	88	74.4 Å²	74.4	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-41.8	174.7	51.7	0	0	0	0	111.6	R515 N520 E521	R515-T517 VanDerWaalsContact C-N 3.31Å; R515-T517 PolarHBondContact O-N 2.82Å; T517-N520 PolarHBondContact O-N 3.12Å; T517-E521 WeakPolarHBondContact O-CB 3.36Å; T517-E521 WeakPolarHBondContact O-CG 3.42Å; T517-E521 PolarHBondContact O-N 3.35Å
518	A	82.8	Confident	80.6	Confident	29 Å²	29	68.9 Å²	68.9	24%	0.24	39%	0.385	C	S	.	.	H	α-helix	trans	-65.7	-38.1	176.3	0	0	0	0	0	111.8	F513 R515 S516 H522	F513-A518 HydrophobicContact CB-CB 4.34Å; F513-A518 HydrophobicContact CD1-CB 3.95Å; F513-A518 HydrophobicContact CG-CB 4.44Å; R515-A518 HydrophobicContact CB-CB 4.22Å; R515-A518 PolarHBondContact O-N 3.19Å; S516-A518 VanDerWaalsContact C-N 3.33Å; S516-A518 PolarHBondContact O-N 3.17Å; A518-H522 VanDerWaalsContact O-CB 3.28Å; A518-H522 WeakPolarHBondContact O-CB 3.44Å; A518-H522 PolarHBondContact O-N 3.38Å
519	L	83.8	Confident	80.5	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-45.9	171.7	174.4	63.3	0	0	0	111.5	K505 C506 F513 R515 S516 E521 H522 K523	K505-L519 WeakPolarHBondContact O-CD2 3.44Å; C506-L519 HydrophobicContact CB-CD1 3.61Å; F513-L519 HydrophobicContact CB-CB 4.31Å; F513-L519 HydrophobicContact CD2-CB 4.01Å; F513-L519 HydrophobicContact CD2-CD1 3.76Å; F513-L519 HydrophobicContact CD2-CG 4.49Å; F513-L519 HydrophobicContact CE2-CD1 3.97Å; F513-L519 HydrophobicContact CG-CB 4.29Å; R515-L519 PolarHBondContact O-N 3.22Å; S516-L519 PolarHBondContact O-N 2.81Å; L519-E521 PolarHBondContact O-N 2.95Å; L519-H522 WeakPolarHBondContact O-CB 3.31Å; L519-H522 PolarHBondContact O-N 2.95Å; L519-K523 HydrophobicContact CD1-CG 4.37Å; L519-K523 WeakPolarHBondContact O-CG 3.43Å; L519-K523 PolarHBondContact O-N 2.92Å
520	N	82.8	Confident	80.4	Confident	91 Å²	91	71 Å²	71	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-64.5	-38.8	179.3	-75.1	-12.3	0	0	0	112.3	S516 T517 H522 K523	S516-N520 PolarHBondContact O-N 3.39Å; T517-N520 PolarHBondContact O-N 3.12Å; N520-H522 VanDerWaalsContact C-N 3.34Å; N520-K523 PolarHBondContact O-N 3.03Å
521	E	82.8	Confident	80.7	Confident	94 Å²	94	71.7 Å²	71.7	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-40	171.8	-75.4	-178.5	173.7	0	0	111.8	T517 L519 K524 L543	T517-E521 WeakPolarHBondContact O-CB 3.36Å; T517-E521 WeakPolarHBondContact O-CG 3.42Å; T517-E521 PolarHBondContact O-N 3.35Å; L519-E521 PolarHBondContact O-N 2.95Å; E521-K524 WeakPolarHBondContact O-CB 3.19Å; E521-K524 PolarHBondContact O-N 3.05Å; E521-L543 HydrophobicContact CB-CD2 3.95Å; E521-L543 VanDerWaalsContact CD-CD2 3.49Å; E521-L543 HydrophobicContact CG-CD2 3.57Å
522	H	83.9	Confident	80.9	Confident	19 Å²	19	69.5 Å²	69.5	9%	0.088	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.9	173.3	65.4	0	0	0	112.7	C509 F513 A518 L519 N520 K524 I525 H526	C509-H522 PolarHBondContact SG-NE2 2.64Å; F513-H522 HydrophobicContact CE1-CB 3.93Å; F513-H522 HydrophobicContact CE2-CB 3.9Å; F513-H522 AromaticContact CE2-CD2 3.41Å; F513-H522 VanDerWaalsContact CE2-CD2 3.41Å; F513-H522 WeakPolarHBondContact CE2-CD2 3.25Å; F513-H522 AromaticContact CE2-CG 3.66Å; F513-H522 HydrophobicContact CZ-CB 3.42Å; F513-H522 VanDerWaalsContact CZ-CB 3.42Å; F513-H522 AromaticContact CZ-CD2 3.45Å; F513-H522 VanDerWaalsContact CZ-CD2 3.45Å; F513-H522 WeakPolarHBondContact CZ-CD2 3.43Å; F513-H522 AromaticContact CZ-CG 3.21Å; F513-H522 AromaticContact CZ-ND1 3.74Å; A518-H522 VanDerWaalsContact O-CB 3.28Å; A518-H522 WeakPolarHBondContact O-CB 3.44Å; A518-H522 PolarHBondContact O-N 3.38Å; L519-H522 WeakPolarHBondContact O-CB 3.31Å; L519-H522 PolarHBondContact O-N 2.95Å; N520-H522 VanDerWaalsContact C-N 3.34Å; H522-K524 PolarHBondContact O-N 3.24Å; H522-K524 VanDerWaalsContact O-N 3.14Å; H522-I525 WeakPolarHBondContact O-CB 3.41Å; H522-I525 WeakPolarHBondContact O-CG1 3.47Å; H522-I525 PolarHBondContact O-N 3.44Å; H522-H526 AromaticContact CD2-NE2 3.85Å; H522-H526 AromaticContact CE1-NE2 3.65Å; H522-H526 AromaticContact NE2-CD2 3.96Å; H522-H526 AromaticContact NE2-CE1 3.86Å; H522-H526 AromaticContact NE2-NE2 3.1Å; H522-H526 PolarHBondContact NE2-NE2 2.92Å; H522-H526 VanDerWaalsContact NE2-NE2 3.1Å
523	K	82.1	Confident	81.2	Confident	90 Å²	90	75.3 Å²	75.3	39%	0.391	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-27.7	176.6	-75.7	-176.1	175.5	-167	0	113.2	L519 N520 I525 H526 S527	L519-K523 HydrophobicContact CD1-CG 4.37Å; L519-K523 WeakPolarHBondContact O-CG 3.43Å; L519-K523 PolarHBondContact O-N 2.92Å; N520-K523 PolarHBondContact O-N 3.03Å; K523-I525 PolarHBondContact O-N 3.2Å; K523-H526 PolarHBondContact O-N 3.31Å; K523-H526 VanDerWaalsContact O-N 3.13Å; K523-S527 PolarHBondContact O-N 3.39Å; K523-S527 VanDerWaalsContact O-N 3.09Å
524	K	82.9	Confident	81.7	Confident	53 Å²	53	73.3 Å²	73.3	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-19.3	174.4	-62.1	179.7	-179.5	-178.2	0	113.8	E521 H522 S527 G528 E529 N542	E521-K524 WeakPolarHBondContact O-CB 3.19Å; E521-K524 PolarHBondContact O-N 3.05Å; H522-K524 PolarHBondContact O-N 3.24Å; H522-K524 VanDerWaalsContact O-N 3.14Å; K524-S527 WeakPolarHBondContact CA-OG 3.43Å; K524-G528 PolarHBondContact O-N 3.14Å; K524-E529 PolarHBondContact O-N 3.47Å; K524-N542 HydrophobicContact CB-CB 4.46Å
525	I	81.3	Confident	82.2	Confident	100 Å²	100	80.9 Å²	80.9	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-71.4	-42	174.5	-58.5	175.7	0	0	0	109.5	H522 K523 G528	H522-I525 WeakPolarHBondContact O-CB 3.41Å; H522-I525 WeakPolarHBondContact O-CG1 3.47Å; H522-I525 PolarHBondContact O-N 3.44Å; K523-I525 PolarHBondContact O-N 3.2Å; I525-G528 PolarHBondContact O-N 3.48Å
526	H	80.3	Confident	82.6	Confident	74 Å²	74	80.9 Å²	80.9	34%	0.343	42%	0.415	S	S	.	.	H	α-helix	trans	-73.3	-40	179.7	-58.4	-49.1	0	0	0	112.3	C506 E508 C509 H522 K523 G528	C506-H526 PolarHBondContact SG-NE2 3.18Å; E508-H526 WeakPolarHBondContact OE2-CB 3.49Å; E508-H526 IonicContact OE2-CD2 3.96Å; E508-H526 PolarHBondContact OE2-CD2 2.92Å; E508-H526 IonicContact OE2-CG 2.93Å; E508-H526 IonicContact OE2-NE2 3.95Å; C509-H526 PolarHBondContact SG-NE2 2.78Å; C509-H526 VanDerWaalsContact SG-NE2 3.45Å; H522-H526 AromaticContact CD2-NE2 3.85Å; H522-H526 AromaticContact CE1-NE2 3.65Å; H522-H526 AromaticContact NE2-CD2 3.96Å; H522-H526 AromaticContact NE2-CE1 3.86Å; H522-H526 AromaticContact NE2-NE2 3.1Å; H522-H526 PolarHBondContact NE2-NE2 2.92Å; H522-H526 VanDerWaalsContact NE2-NE2 3.1Å; K523-H526 PolarHBondContact O-N 3.31Å; K523-H526 VanDerWaalsContact O-N 3.13Å; H526-G528 PolarHBondContact O-N 3.45Å
527	S	78.8	Confident	82.9	Confident	69 Å²	69	81 Å²	81	48%	0.483	42%	0.415	S	S	.	.	S	Bend	trans	-73.4	-9.2	175.1	67.3	0	0	0	0	113.8	K523 K524 E529	K523-S527 PolarHBondContact O-N 3.39Å; K523-S527 VanDerWaalsContact O-N 3.09Å; K524-S527 WeakPolarHBondContact CA-OG 3.43Å; S527-E529 PolarHBondContact O-N 3.49Å; S527-E529 VanDerWaalsContact O-N 3.08Å; S527-E529 WeakPolarHBondContact OG-CG 3.27Å
528	G	77.1	Confident	83	Confident	50 Å²	50	79.4 Å²	79.4	52%	0.515	42%	0.417	S	S	.	.			trans	64.8	7.4	-175.5	0	0	0	0	0	114.4	K524 I525 H526 K530	K524-G528 PolarHBondContact O-N 3.14Å; I525-G528 PolarHBondContact O-N 3.48Å; H526-G528 PolarHBondContact O-N 3.45Å; G528-K530 PolarHBondContact O-N 3.02Å
529	E	78.3	Confident	83.1	Confident	107 Å²	107	84 Å²	84	50%	0.5	43%	0.431	S	S	.	.			trans	-62.2	119.8	-178	-78.4	-179.9	-167.7	0	0	110.9	K524 S527 P531	K524-E529 PolarHBondContact O-N 3.47Å; S527-E529 PolarHBondContact O-N 3.49Å; S527-E529 VanDerWaalsContact O-N 3.08Å; S527-E529 WeakPolarHBondContact OG-CG 3.27Å; E529-P531 VanDerWaalsContact C-CD 3.48Å; E529-P531 WeakPolarHBondContact O-CD 3.41Å
530	K	82.8	Confident	83.3	Confident	123 Å²	123	84.9 Å²	84.9	54%	0.535	44%	0.44	S	S	.	.			trans	-120.6	74.1	173.8	-67.6	172.6	178.9	-179.8	0	110.6	G528 Y532 A540 Y541	G528-K530 PolarHBondContact O-N 3.02Å; K530-Y532 PolarHBondContact O-N 3.44Å; K530-A540 HydrophobicContact CB-CB 3.6Å; K530-A540 HydrophobicContact CD-CB 4.14Å; K530-A540 WeakPolarHBondContact CD-O 3.47Å; K530-A540 HydrophobicContact CG-CB 4.47Å; K530-Y541 CarbonylContact C-O 3.57Å; K530-Y541 VanDerWaalsContact C-O 3.28Å; K530-Y541 VanDerWaalsContact CA-O 3.27Å; K530-Y541 WeakPolarHBondContact CA-O 3.45Å
531	P	82.8	Confident	83.4	Confident	73 Å²	73	82.8 Å²	82.8	47%	0.474	43%	0.426	S	S	.	.			trans	-66.8	-20.6	-173.5	-19.2	32.9	0	0	0	113.5	E529	E529-P531 VanDerWaalsContact C-CD 3.48Å; E529-P531 WeakPolarHBondContact O-CD 3.41Å
532	Y	85.3	Confident	83.3	Confident	81 Å²	81	80.4 Å²	80.4	32%	0.318	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	96.9	-170.4	-56.2	-75.7	0	0	0	110.7	K530 A540 Y541 N542 S544	K530-Y532 PolarHBondContact O-N 3.44Å; Y532-A540 CarbonylContact O-C 3.56Å; Y532-A540 WeakPolarHBondContact O-CA 3.4Å; Y532-Y541 PolarHBondContact N-O 3.02Å; Y532-Y541 VanDerWaalsContact N-O 3.14Å; Y532-Y541 PolarHBondContact O-N 3.32Å; Y532-N542 WeakPolarHBondContact CE2-O 3.43Å; Y532-S544 VanDerWaalsContact CD2-N 3.31Å; Y532-S544 VanDerWaalsContact CE2-N 3.33Å
533	K	85.7	Confident	83.2	Confident	152 Å²	152	81.3 Å²	81.3	66%	0.661	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.3	179.5	-63.7	-177.4	179.7	-179.5	0	112	A540	K533-A540 HydrophobicContact CG-CB 3.87Å
534	C	89.8	Confident	83.3	Confident	3 Å²	3	79.8 Å²	79.8	2%	0.02	42%	0.422	C	S	.	.			trans	-74.3	124.8	169	-179.3	0	0	0	0	109.3	E536 G538 K539 L547	C534-E536 VanDerWaalsContact C-N 3.33Å; C534-G538 WeakPolarHBondContact O-CA 3.46Å; C534-G538 PolarHBondContact O-N 3.13Å; C534-K539 WeakPolarHBondContact CB-O 3.45Å; C534-K539 PolarHBondContact N-O 3.16Å; C534-L547 HydrophobicContact CB-CD1 3.63Å
535	K	85.1	Confident	83.4	Confident	213 Å²	213	80.5 Å²	80.5	93%	0.926	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.3	178.6	-64.7	-172.4	177.3	-173.8	0	112.9
536	E	83.7	Confident	83.5	Confident	126 Å²	126	77.8 Å²	77.8	59%	0.589	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-33.4	-174	-67.6	160.8	170.5	0	0	113.2	C534 H554	C534-E536 VanDerWaalsContact C-N 3.33Å; E536-H554 WeakPolarHBondContact OE2-CB 2.86Å; E536-H554 IonicContact OE2-CD2 3.12Å; E536-H554 PolarHBondContact OE2-CD2 3.03Å; E536-H554 IonicContact OE2-CG 3.77Å
537	C	86.8	Confident	83.8	Confident	52 Å²	52	75 Å²	75	35%	0.351	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	7.8	-177.7	72.7	0	0	0	0	114.5	K539 H550 H554	C537-K539 PolarHBondContact O-N 2.9Å; C537-H550 PolarHBondContact SG-NE2 2.84Å; C537-H554 PolarHBondContact SG-NE2 3.3Å
538	G	83.4	Confident	84.1	Confident	56 Å²	56	75.3 Å²	75.3	58%	0.577	41%	0.408	S	S	*	.			trans	70.4	-10.6	178.2	0	0	0	0	0	116.1	C534 A540	C534-G538 WeakPolarHBondContact O-CA 3.46Å; C534-G538 PolarHBondContact O-N 3.13Å; G538-A540 PolarHBondContact O-N 3.43Å
539	K	86.6	Confident	84.4	Confident	125 Å²	125	77.7 Å²	77.7	54%	0.543	40%	0.404	S	S	.	.			trans	-60.6	130.7	-178	-69.5	-178	-179.6	179.1	0	111.8	C534 C537 Y541	C534-K539 WeakPolarHBondContact CB-O 3.45Å; C534-K539 PolarHBondContact N-O 3.16Å; C537-K539 PolarHBondContact O-N 2.9Å; K539-Y541 HydrophobicContact CB-CE2 3.87Å; K539-Y541 WeakPolarHBondContact O-CE2 3.32Å
540	A	86.8	Confident	84.7	Confident	31 Å²	31	73.3 Å²	73.3	26%	0.256	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.8	-178.1	0	0	0	0	0	111.9	K530 Y532 K533 G538	K530-A540 HydrophobicContact CB-CB 3.6Å; K530-A540 HydrophobicContact CD-CB 4.14Å; K530-A540 WeakPolarHBondContact CD-O 3.47Å; K530-A540 HydrophobicContact CG-CB 4.47Å; Y532-A540 CarbonylContact O-C 3.56Å; Y532-A540 WeakPolarHBondContact O-CA 3.4Å; K533-A540 HydrophobicContact CG-CB 3.87Å; G538-A540 PolarHBondContact O-N 3.43Å
541	Y	85.3	Confident	84.7	Confident	48 Å²	48	72 Å²	72	19%	0.188	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151	-176.3	-57.9	-87.4	0	0	0	111.5	K530 Y532 K539 T546 L547 H550	K530-Y541 CarbonylContact C-O 3.57Å; K530-Y541 VanDerWaalsContact C-O 3.28Å; K530-Y541 VanDerWaalsContact CA-O 3.27Å; K530-Y541 WeakPolarHBondContact CA-O 3.45Å; Y532-Y541 PolarHBondContact N-O 3.02Å; Y532-Y541 VanDerWaalsContact N-O 3.14Å; Y532-Y541 PolarHBondContact O-N 3.32Å; K539-Y541 HydrophobicContact CB-CE2 3.87Å; K539-Y541 WeakPolarHBondContact O-CE2 3.32Å; Y541-T546 WeakPolarHBondContact CB-OG1 3.44Å; Y541-L547 HydrophobicContact CD2-CB 3.9Å; Y541-L547 HydrophobicContact CD2-CD1 3.76Å; Y541-L547 HydrophobicContact CD2-CG 4.43Å; Y541-L547 HydrophobicContact CE2-CD1 3.91Å; Y541-L547 HydrophobicContact CG-CB 4.36Å; Y541-H550 HydrophobicContact CE1-CB 4.25Å; Y541-H550 HydrophobicContact CE2-CB 3.96Å; Y541-H550 AromaticContact CE2-CD2 3.45Å; Y541-H550 VanDerWaalsContact CE2-CD2 3.45Å; Y541-H550 WeakPolarHBondContact CE2-CD2 3.3Å; Y541-H550 AromaticContact CE2-CG 3.73Å; Y541-H550 AromaticContact CZ-CD2 3.63Å; Y541-H550 AromaticContact CZ-CG 3.45Å; Y541-H550 VanDerWaalsContact CZ-CG 3.45Å; Y541-H550 AromaticContact CZ-ND1 3.93Å; Y541-H550 PolarHBondContact OH-CD2 3.47Å; Y541-H550 PolarHBondContact OH-CE1 2.83Å; Y541-H550 PolarHBondContact OH-ND1 3.42Å; Y541-H550 PolarHBondContact OH-NE2 3.41Å
542	N	81.4	Confident	84.8	Confident	44 Å²	44	71.5 Å²	71.5	24%	0.235	37%	0.367	C	S	.	.	S	Bend	trans	-79	-23.2	178.1	59.3	-1.5	0	0	0	113.1	K524 Y532	K524-N542 HydrophobicContact CB-CB 4.46Å; Y532-N542 WeakPolarHBondContact CE2-O 3.43Å
543	L	81.9	Confident	84.7	Confident	38 Å²	38	72.7 Å²	72.7	20%	0.199	38%	0.378	C	S	.	.	S	Bend	trans	-124	138.7	-179.7	-63.8	172.1	0	0	0	112	E521 S545 T546 L547	E521-L543 HydrophobicContact CB-CD2 3.95Å; E521-L543 VanDerWaalsContact CD-CD2 3.49Å; E521-L543 HydrophobicContact CG-CD2 3.57Å; L543-S545 VanDerWaalsContact C-N 3.28Å; L543-S545 PolarHBondContact O-N 3.2Å; L543-T546 HydrophobicContact CB-CG2 4.19Å; L543-T546 PolarHBondContact O-N 3.06Å; L543-T546 PolarHBondContact O-OG1 3.36Å; L543-L547 PolarHBondContact O-N 3.21Å
544	S	83.6	Confident	84.5	Confident	58 Å²	58	69 Å²	69	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.2	-179.8	0	0	0	0	111.7	Y532 T546 L547 T548	Y532-S544 VanDerWaalsContact CD2-N 3.31Å; Y532-S544 VanDerWaalsContact CE2-N 3.33Å; S544-T546 VanDerWaalsContact C-N 3.28Å; S544-T546 PolarHBondContact O-N 2.89Å; S544-L547 PolarHBondContact O-N 2.98Å; S544-L547 VanDerWaalsContact O-N 3.13Å; S544-T548 PolarHBondContact O-N 3.32Å; S544-T548 PolarHBondContact O-OG1 2.95Å
545	S	84.2	Confident	84	Confident	67 Å²	67	72.9 Å²	72.9	47%	0.469	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-35.8	178.1	60	0	0	0	0	113	L543 K549	L543-S545 VanDerWaalsContact C-N 3.28Å; L543-S545 PolarHBondContact O-N 3.2Å; S545-K549 WeakPolarHBondContact O-CB 3.03Å; S545-K549 WeakPolarHBondContact O-CD 3.49Å; S545-K549 VanDerWaalsContact O-CG 3.3Å; S545-K549 WeakPolarHBondContact O-CG 3.26Å; S545-K549 PolarHBondContact O-N 3.27Å
546	T	84.5	Confident	83.7	Confident	43 Å²	43	65.1 Å²	65.1	26%	0.264	37%	0.367	S	S	.	.	H	α-helix	trans	-71.4	-37.5	175.5	52.4	0	0	0	0	112.4	Y541 L543 S544 K549 H550	Y541-T546 WeakPolarHBondContact CB-OG1 3.44Å; L543-T546 HydrophobicContact CB-CG2 4.19Å; L543-T546 PolarHBondContact O-N 3.06Å; L543-T546 PolarHBondContact O-OG1 3.36Å; S544-T546 VanDerWaalsContact C-N 3.28Å; S544-T546 PolarHBondContact O-N 2.89Å; T546-K549 PolarHBondContact O-N 3.33Å; T546-H550 WeakPolarHBondContact O-CB 3.42Å; T546-H550 PolarHBondContact O-N 3.02Å
547	L	86	Confident	83.6	Confident	15 Å²	15	63.9 Å²	63.9	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-45.5	171.9	173.9	62.2	0	0	0	111.2	C534 Y541 L543 S544 K549 H550 K551	C534-L547 HydrophobicContact CB-CD1 3.63Å; Y541-L547 HydrophobicContact CD2-CB 3.9Å; Y541-L547 HydrophobicContact CD2-CD1 3.76Å; Y541-L547 HydrophobicContact CD2-CG 4.43Å; Y541-L547 HydrophobicContact CE2-CD1 3.91Å; Y541-L547 HydrophobicContact CG-CB 4.36Å; L543-L547 PolarHBondContact O-N 3.21Å; S544-L547 PolarHBondContact O-N 2.98Å; S544-L547 VanDerWaalsContact O-N 3.13Å; L547-K549 VanDerWaalsContact C-N 3.33Å; L547-K549 PolarHBondContact O-N 3.39Å; L547-H550 WeakPolarHBondContact O-CB 3.39Å; L547-H550 PolarHBondContact O-N 3.22Å; L547-H550 VanDerWaalsContact O-N 3.14Å; L547-K551 HydrophobicContact CD1-CG 4.38Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 3.23Å
548	T	84.2	Confident	83.4	Confident	76 Å²	76	67.4 Å²	67.4	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-43	177.7	-57.9	0	0	0	0	111.7	S544 H550 K551	S544-T548 PolarHBondContact O-N 3.32Å; S544-T548 PolarHBondContact O-OG1 2.95Å; T548-H550 VanDerWaalsContact C-N 3.33Å; T548-H550 PolarHBondContact O-N 3.37Å; T548-K551 PolarHBondContact O-N 3.43Å
549	K	83.5	Confident	83.4	Confident	100 Å²	100	67.3 Å²	67.3	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-41	173.6	-79.1	166.2	165.4	-173.6	0	112.1	S545 T546 L547 R552 W571	S545-K549 WeakPolarHBondContact O-CB 3.03Å; S545-K549 WeakPolarHBondContact O-CD 3.49Å; S545-K549 VanDerWaalsContact O-CG 3.3Å; S545-K549 WeakPolarHBondContact O-CG 3.26Å; S545-K549 PolarHBondContact O-N 3.27Å; T546-K549 PolarHBondContact O-N 3.33Å; L547-K549 VanDerWaalsContact C-N 3.33Å; L547-K549 PolarHBondContact O-N 3.39Å; K549-R552 WeakPolarHBondContact O-CB 3.36Å; K549-R552 PolarHBondContact O-N 3.47Å; K549-W571 HydrophobicContact CB-CH2 3.65Å; K549-W571 HydrophobicContact CB-CZ3 3.83Å; K549-W571 HydrophobicContact CD-CH2 4.28Å; K549-W571 HydrophobicContact CD-CZ3 3.73Å; K549-W571 HydrophobicContact CG-CH2 4.16Å; K549-W571 HydrophobicContact CG-CZ3 3.79Å
550	H	84.9	Confident	83.3	Confident	15 Å²	15	64.2 Å²	64.2	7%	0.069	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-39	177.3	166.6	66.8	0	0	0	112.9	C537 Y541 T546 L547 T548 R552 I553 H554	C537-H550 PolarHBondContact SG-NE2 2.84Å; Y541-H550 HydrophobicContact CE1-CB 4.25Å; Y541-H550 HydrophobicContact CE2-CB 3.96Å; Y541-H550 AromaticContact CE2-CD2 3.45Å; Y541-H550 VanDerWaalsContact CE2-CD2 3.45Å; Y541-H550 WeakPolarHBondContact CE2-CD2 3.3Å; Y541-H550 AromaticContact CE2-CG 3.73Å; Y541-H550 AromaticContact CZ-CD2 3.63Å; Y541-H550 AromaticContact CZ-CG 3.45Å; Y541-H550 VanDerWaalsContact CZ-CG 3.45Å; Y541-H550 AromaticContact CZ-ND1 3.93Å; Y541-H550 PolarHBondContact OH-CD2 3.47Å; Y541-H550 PolarHBondContact OH-CE1 2.83Å; Y541-H550 PolarHBondContact OH-ND1 3.42Å; Y541-H550 PolarHBondContact OH-NE2 3.41Å; T546-H550 WeakPolarHBondContact O-CB 3.42Å; T546-H550 PolarHBondContact O-N 3.02Å; L547-H550 WeakPolarHBondContact O-CB 3.39Å; L547-H550 PolarHBondContact O-N 3.22Å; L547-H550 VanDerWaalsContact O-N 3.14Å; T548-H550 VanDerWaalsContact C-N 3.33Å; T548-H550 PolarHBondContact O-N 3.37Å; H550-R552 PolarHBondContact O-N 3.01Å; H550-R552 VanDerWaalsContact O-N 3.11Å; H550-I553 VanDerWaalsContact O-CB 3.28Å; H550-I553 WeakPolarHBondContact O-CB 3.36Å; H550-I553 WeakPolarHBondContact O-CG1 3.43Å; H550-I553 PolarHBondContact O-N 3.15Å; H550-H554 AromaticContact CD2-NE2 3.89Å; H550-H554 AromaticContact CE1-CE1 3.94Å; H550-H554 AromaticContact CE1-NE2 3.32Å; H550-H554 PolarHBondContact CE1-NE2 3Å; H550-H554 VanDerWaalsContact CE1-NE2 3.32Å; H550-H554 AromaticContact NE2-CD2 3.85Å; H550-H554 AromaticContact NE2-CE1 3.98Å; H550-H554 AromaticContact NE2-NE2 3.02Å; H550-H554 PolarHBondContact NE2-NE2 3.23Å
551	K	83.3	Confident	83	Confident	97 Å²	97	66.5 Å²	66.5	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-27.4	177.6	-75.2	-178.4	175.3	-169.6	0	113.4	L547 T548 I553 H554 T555	L547-K551 HydrophobicContact CD1-CG 4.38Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 3.23Å; T548-K551 PolarHBondContact O-N 3.43Å; K551-I553 PolarHBondContact O-N 3.34Å; K551-I553 VanDerWaalsContact O-N 3.16Å; K551-H554 PolarHBondContact O-N 3.34Å; K551-T555 PolarHBondContact O-N 3.47Å; K551-T555 PolarHBondContact O-OG1 3.26Å
552	R	84.9	Confident	83.1	Confident	62 Å²	62	64.3 Å²	64.3	23%	0.234	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-20.6	174.9	-61.6	-178.5	179	178.3	-3	114	K549 H550 T555 G556 E557	K549-R552 WeakPolarHBondContact O-CB 3.36Å; K549-R552 PolarHBondContact O-N 3.47Å; H550-R552 PolarHBondContact O-N 3.01Å; H550-R552 VanDerWaalsContact O-N 3.11Å; R552-T555 WeakPolarHBondContact CA-OG1 3.29Å; R552-G556 PolarHBondContact O-N 2.96Å; R552-G556 VanDerWaalsContact O-N 3.13Å; R552-E557 PolarHBondContact O-N 3.42Å
553	I	82.6	Confident	83.2	Confident	105 Å²	105	70.7 Å²	70.7	54%	0.538	38%	0.377	S	S	.	.	H	α-helix	trans	-71.6	-38.8	175.4	-58.4	175.1	0	0	0	110	H550 K551	H550-I553 VanDerWaalsContact O-CB 3.28Å; H550-I553 WeakPolarHBondContact O-CB 3.36Å; H550-I553 WeakPolarHBondContact O-CG1 3.43Å; H550-I553 PolarHBondContact O-N 3.15Å; K551-I553 PolarHBondContact O-N 3.34Å; K551-I553 VanDerWaalsContact O-N 3.16Å
554	H	81.9	Confident	83.1	Confident	74 Å²	74	75 Å²	75	34%	0.343	40%	0.397	S	S	.	.	H	α-helix	trans	-79.3	-39.2	179.8	-56.4	-53.3	0	0	0	111.9	E536 C537 H550 K551 G556	E536-H554 WeakPolarHBondContact OE2-CB 2.86Å; E536-H554 IonicContact OE2-CD2 3.12Å; E536-H554 PolarHBondContact OE2-CD2 3.03Å; E536-H554 IonicContact OE2-CG 3.77Å; C537-H554 PolarHBondContact SG-NE2 3.3Å; H550-H554 AromaticContact CD2-NE2 3.89Å; H550-H554 AromaticContact CE1-CE1 3.94Å; H550-H554 AromaticContact CE1-NE2 3.32Å; H550-H554 PolarHBondContact CE1-NE2 3Å; H550-H554 VanDerWaalsContact CE1-NE2 3.32Å; H550-H554 AromaticContact NE2-CD2 3.85Å; H550-H554 AromaticContact NE2-CE1 3.98Å; H550-H554 AromaticContact NE2-NE2 3.02Å; H550-H554 PolarHBondContact NE2-NE2 3.23Å; K551-H554 PolarHBondContact O-N 3.34Å; H554-G556 VanDerWaalsContact C-N 3.29Å; H554-G556 PolarHBondContact O-N 3.06Å
555	T	80.3	Confident	83.1	Confident	85 Å²	85	74.7 Å²	74.7	52%	0.521	39%	0.394	S	S	.	.	H	α-helix	trans	-79	-11.6	179	62.3	0	0	0	0	113.6	K551 R552 E557	K551-T555 PolarHBondContact O-N 3.47Å; K551-T555 PolarHBondContact O-OG1 3.26Å; R552-T555 WeakPolarHBondContact CA-OG1 3.29Å; T555-E557 PolarHBondContact O-N 3.18Å; T555-E557 VanDerWaalsContact O-N 3.13Å; T555-E557 WeakPolarHBondContact OG1-CB 3.19Å
556	G	77.8	Confident	83	Confident	51 Å²	51	74.3 Å²	74.3	53%	0.526	40%	0.401	S	S	.	.			trans	64.7	10.8	-175.2	0	0	0	0	0	114.5	R552 H554 K558	R552-G556 PolarHBondContact O-N 2.96Å; R552-G556 VanDerWaalsContact O-N 3.13Å; H554-G556 VanDerWaalsContact C-N 3.29Å; H554-G556 PolarHBondContact O-N 3.06Å; G556-K558 PolarHBondContact O-N 3.35Å
557	E	80.9	Confident	83	Confident	100 Å²	100	78.3 Å²	78.3	47%	0.467	41%	0.414	S	S	.	.			trans	-62	125.1	-174.8	-164.4	-167.3	161.4	0	0	110.7	R552 T555 P559	R552-E557 PolarHBondContact O-N 3.42Å; T555-E557 PolarHBondContact O-N 3.18Å; T555-E557 VanDerWaalsContact O-N 3.13Å; T555-E557 WeakPolarHBondContact OG1-CB 3.19Å; E557-P559 HydrophobicContact CG-CG 3.97Å; E557-P559 WeakPolarHBondContact O-CD 3.31Å
558	K	83.3	Confident	83	Confident	125 Å²	125	79.4 Å²	79.4	54%	0.543	43%	0.425	S	S	.	.			trans	-120.2	75.8	178.3	-70.2	171.1	176	-178.6	0	110.7	G556 F560 A568 F569	G556-K558 PolarHBondContact O-N 3.35Å; K558-F560 PolarHBondContact O-N 3.31Å; K558-F560 VanDerWaalsContact O-N 3.16Å; K558-A568 HydrophobicContact CB-CB 3.63Å; K558-A568 HydrophobicContact CD-CB 4.09Å; K558-A568 WeakPolarHBondContact CD-O 3.42Å; K558-A568 HydrophobicContact CG-CB 4.47Å; K558-F569 CarbonylContact C-O 3.29Å; K558-F569 VanDerWaalsContact C-O 3.24Å; K558-F569 VanDerWaalsContact CA-O 3.29Å; K558-F569 WeakPolarHBondContact CA-O 3.01Å
559	P	83.1	Confident	83	Confident	54 Å²	54	77.8 Å²	77.8	35%	0.351	41%	0.412	S	S	.	.			trans	-69.4	-13.5	-172	-17	30.3	0	0	0	114.6	E557	E557-P559 HydrophobicContact CG-CG 3.97Å; E557-P559 WeakPolarHBondContact O-CD 3.31Å
560	F	85.6	Confident	82.9	Confident	60 Å²	60	75.7 Å²	75.7	26%	0.263	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	96.7	-171.2	-57.2	-74.9	0	0	0	109.8	K558 A568 F569 S572 L575	K558-F560 PolarHBondContact O-N 3.31Å; K558-F560 VanDerWaalsContact O-N 3.16Å; F560-A568 CarbonylContact O-C 3.56Å; F560-A568 WeakPolarHBondContact O-CA 3.41Å; F560-F569 HydrophobicContact CB-CB 4.41Å; F560-F569 PolarHBondContact N-O 3.11Å; F560-F569 VanDerWaalsContact N-O 3.13Å; F560-F569 PolarHBondContact O-N 2.96Å; F560-S572 VanDerWaalsContact CD2-N 3.32Å; F560-S572 VanDerWaalsContact CE2-N 3.34Å; F560-L575 HydrophobicContact CB-CB 4.05Å; F560-L575 HydrophobicContact CB-CD2 3.84Å
561	T	80.7	Confident	82.7	Confident	80 Å²	80	79.2 Å²	79.2	49%	0.491	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.1	178.3	49.5	0	0	0	0	111.3	A568 L575	T561-A568 HydrophobicContact CG2-CB 3.92Å; T561-L575 WeakPolarHBondContact O-CD2 3.34Å
562	C	87.1	Confident	82.6	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.014	42%	0.42	C	S	.	.			trans	-83.3	119.1	168.4	179.8	0	0	0	0	108.6	E564 G566 K567 F569 L575 H582	C562-E564 VanDerWaalsContact C-N 3.28Å; C562-E564 PolarHBondContact O-N 3.12Å; C562-G566 WeakPolarHBondContact O-CA 3.28Å; C562-G566 PolarHBondContact O-N 3.01Å; C562-K567 WeakPolarHBondContact CB-O 3.38Å; C562-K567 PolarHBondContact N-O 3.4Å; C562-F569 HydrophobicContact CB-CE2 4.42Å; C562-L575 HydrophobicContact CB-CD1 3.65Å; C562-H582 PolarHBondContact SG-NE2 2.84Å; C562-H582 VanDerWaalsContact SG-NE2 3.39Å
563	E	83.4	Confident	82.5	Confident	177 Å²	177	77.6 Å²	77.6	83%	0.827	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.2	179.1	-67.1	170.6	172.1	0	0	112
564	E	80	Confident	82.5	Confident	129 Å²	129	74.4 Å²	74.4	60%	0.603	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-29.4	-177.1	-65.9	169.5	168.8	0	0	113.4	C562 H582	C562-E564 VanDerWaalsContact C-N 3.28Å; C562-E564 PolarHBondContact O-N 3.12Å; E564-H582 WeakPolarHBondContact OE2-CB 3.39Å; E564-H582 IonicContact OE2-CD2 3.66Å; E564-H582 PolarHBondContact OE2-CD2 3.13Å; E564-H582 IonicContact OE2-CG 3.15Å; E564-H582 IonicContact OE2-NE2 3.99Å
565	C	83.8	Confident	82.6	Confident	52 Å²	52	71.9 Å²	71.9	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	11.3	-176.9	82.5	0	0	0	0	114.9	K567 H578 H582	C565-K567 PolarHBondContact O-N 3.04Å; C565-K567 VanDerWaalsContact SG-CG 3.57Å; C565-H578 PolarHBondContact SG-NE2 2.79Å; C565-H582 PolarHBondContact SG-NE2 3.23Å; C565-H582 VanDerWaalsContact SG-NE2 3.36Å
566	G	81.3	Confident	82.7	Confident	59 Å²	59	72 Å²	72	61%	0.608	41%	0.406	S	S	*	.			trans	67.2	-2.2	177.7	0	0	0	0	0	116.2	C562 A568	C562-G566 WeakPolarHBondContact O-CA 3.28Å; C562-G566 PolarHBondContact O-N 3.01Å; G566-A568 PolarHBondContact O-N 3.43Å
567	K	84.9	Confident	82.7	Confident	126 Å²	126	75.5 Å²	75.5	55%	0.548	41%	0.406	S	S	.	.			trans	-68.3	126.8	-175.4	-74.6	179.9	-176.6	176.3	0	111	C562 C565 F569	C562-K567 WeakPolarHBondContact CB-O 3.38Å; C562-K567 PolarHBondContact N-O 3.4Å; C565-K567 PolarHBondContact O-N 3.04Å; C565-K567 VanDerWaalsContact SG-CG 3.57Å; K567-F569 HydrophobicContact CB-CE2 3.78Å; K567-F569 HydrophobicContact CB-CZ 3.91Å; K567-F569 WeakPolarHBondContact O-CD2 3.16Å; K567-F569 VanDerWaalsContact O-CE2 3.26Å; K567-F569 WeakPolarHBondContact O-CE2 3.48Å
568	A	85.8	Confident	82.8	Confident	38 Å²	38	71.5 Å²	71.5	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.7	-179.7	0	0	0	0	0	112.1	K558 F560 T561 G566	K558-A568 HydrophobicContact CB-CB 3.63Å; K558-A568 HydrophobicContact CD-CB 4.09Å; K558-A568 WeakPolarHBondContact CD-O 3.42Å; K558-A568 HydrophobicContact CG-CB 4.47Å; F560-A568 CarbonylContact O-C 3.56Å; F560-A568 WeakPolarHBondContact O-CA 3.41Å; T561-A568 HydrophobicContact CG2-CB 3.92Å; G566-A568 PolarHBondContact O-N 3.43Å
569	F	83.9	Confident	82.6	Confident	42 Å²	42	69.6 Å²	69.6	18%	0.184	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.7	-178.4	-57.7	-89.6	0	0	0	111	K558 F560 C562 K567 L575 H578	K558-F569 CarbonylContact C-O 3.29Å; K558-F569 VanDerWaalsContact C-O 3.24Å; K558-F569 VanDerWaalsContact CA-O 3.29Å; K558-F569 WeakPolarHBondContact CA-O 3.01Å; F560-F569 HydrophobicContact CB-CB 4.41Å; F560-F569 PolarHBondContact N-O 3.11Å; F560-F569 VanDerWaalsContact N-O 3.13Å; F560-F569 PolarHBondContact O-N 2.96Å; C562-F569 HydrophobicContact CB-CE2 4.42Å; K567-F569 HydrophobicContact CB-CE2 3.78Å; K567-F569 HydrophobicContact CB-CZ 3.91Å; K567-F569 WeakPolarHBondContact O-CD2 3.16Å; K567-F569 VanDerWaalsContact O-CE2 3.26Å; K567-F569 WeakPolarHBondContact O-CE2 3.48Å; F569-L575 HydrophobicContact CB-CB 4.43Å; F569-L575 HydrophobicContact CD2-CB 4Å; F569-L575 HydrophobicContact CD2-CD1 3.83Å; F569-L575 HydrophobicContact CE2-CD1 3.98Å; F569-L575 HydrophobicContact CG-CB 4.4Å; F569-H578 HydrophobicContact CE1-CB 4.06Å; F569-H578 HydrophobicContact CE2-CB 3.87Å; F569-H578 AromaticContact CE2-CD2 3.36Å; F569-H578 WeakPolarHBondContact CE2-CD2 3.2Å; F569-H578 AromaticContact CE2-CG 3.62Å; F569-H578 HydrophobicContact CZ-CB 3.48Å; F569-H578 VanDerWaalsContact CZ-CB 3.48Å; F569-H578 AromaticContact CZ-CD2 3.46Å; F569-H578 VanDerWaalsContact CZ-CD2 3.46Å; F569-H578 WeakPolarHBondContact CZ-CD2 3.43Å; F569-H578 AromaticContact CZ-CG 3.24Å; F569-H578 AromaticContact CZ-ND1 3.75Å
570	N	80.6	Confident	82.4	Confident	57 Å²	57	68.9 Å²	68.9	31%	0.305	37%	0.372	S	S	.	.	S	Bend	trans	-77.8	-20.9	175.8	51.7	-4.3	0	0	0	113.3
571	W	81.8	Confident	82	Confident	88 Å²	88	70.3 Å²	70.3	33%	0.333	38%	0.382	S	S	.	.	S	Bend	trans	-128.1	138.9	-179	-54.3	98.7	0	0	0	112.1	K549 S573 S574 L575	K549-W571 HydrophobicContact CB-CH2 3.65Å; K549-W571 HydrophobicContact CB-CZ3 3.83Å; K549-W571 HydrophobicContact CD-CH2 4.28Å; K549-W571 HydrophobicContact CD-CZ3 3.73Å; K549-W571 HydrophobicContact CG-CH2 4.16Å; K549-W571 HydrophobicContact CG-CZ3 3.79Å; W571-S573 VanDerWaalsContact C-N 3.29Å; W571-S573 PolarHBondContact O-N 2.81Å; W571-S574 WeakPolarHBondContact O-CB 3.25Å; W571-S574 PolarHBondContact O-N 3.38Å; W571-S574 VanDerWaalsContact O-N 3.11Å; W571-L575 PolarHBondContact O-N 3.03Å; W571-L575 VanDerWaalsContact O-N 3.16Å
572	S	81.8	Confident	81.7	Confident	65 Å²	65	70.2 Å²	70.2	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-37.4	175.2	58.1	0	0	0	0	112.1	F560 S574 L575 T576	F560-S572 VanDerWaalsContact CD2-N 3.32Å; F560-S572 VanDerWaalsContact CE2-N 3.34Å; S572-S574 VanDerWaalsContact C-N 3.27Å; S572-S574 PolarHBondContact O-N 3.38Å; S572-L575 PolarHBondContact O-N 3.4Å; S572-L575 VanDerWaalsContact O-N 3.16Å; S572-T576 PolarHBondContact O-N 2.83Å; S572-T576 PolarHBondContact O-OG1 2.95Å
573	S	82.3	Confident	81	Confident	60 Å²	60	74 Å²	74	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-32.6	175.5	56	0	0	0	0	112.7	W571 K577	W571-S573 VanDerWaalsContact C-N 3.29Å; W571-S573 PolarHBondContact O-N 2.81Å; S573-K577 WeakPolarHBondContact O-CB 3.46Å; S573-K577 WeakPolarHBondContact O-CG 3.34Å; S573-K577 PolarHBondContact O-N 3.16Å
574	S	83.2	Confident	80.1	Confident	39 Å²	39	68 Å²	68	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-69.5	-41.5	173.3	-60.9	0	0	0	0	111.3	W571 S572 K577 H578	W571-S574 WeakPolarHBondContact O-CB 3.25Å; W571-S574 PolarHBondContact O-N 3.38Å; W571-S574 VanDerWaalsContact O-N 3.11Å; S572-S574 VanDerWaalsContact C-N 3.27Å; S572-S574 PolarHBondContact O-N 3.38Å; S574-K577 PolarHBondContact O-N 3.11Å; S574-H578 VanDerWaalsContact O-CB 3.31Å; S574-H578 WeakPolarHBondContact O-CB 3.23Å; S574-H578 PolarHBondContact O-N 3.04Å
575	L	83.8	Confident	79.6	Confident	20 Å²	20	67.3 Å²	67.3	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-45.8	173	175.8	62.3	0	0	0	111.6	F560 T561 C562 F569 W571 S572 K577 H578 K579	F560-L575 HydrophobicContact CB-CB 4.05Å; F560-L575 HydrophobicContact CB-CD2 3.84Å; T561-L575 WeakPolarHBondContact O-CD2 3.34Å; C562-L575 HydrophobicContact CB-CD1 3.65Å; F569-L575 HydrophobicContact CB-CB 4.43Å; F569-L575 HydrophobicContact CD2-CB 4Å; F569-L575 HydrophobicContact CD2-CD1 3.83Å; F569-L575 HydrophobicContact CE2-CD1 3.98Å; F569-L575 HydrophobicContact CG-CB 4.4Å; W571-L575 PolarHBondContact O-N 3.03Å; W571-L575 VanDerWaalsContact O-N 3.16Å; S572-L575 PolarHBondContact O-N 3.4Å; S572-L575 VanDerWaalsContact O-N 3.16Å; L575-K577 VanDerWaalsContact C-N 3.33Å; L575-K577 PolarHBondContact O-N 3.35Å; L575-H578 CarbonylContact O-C 3.24Å; L575-H578 WeakPolarHBondContact O-CA 3.41Å; L575-H578 WeakPolarHBondContact O-CB 3.48Å; L575-H578 PolarHBondContact O-N 2.96Å; L575-K579 HydrophobicContact CD1-CG 4.24Å; L575-K579 WeakPolarHBondContact O-CG 3.39Å; L575-K579 PolarHBondContact O-N 3.26Å
576	T	82.1	Confident	79.1	Confident	88 Å²	88	70.9 Å²	70.9	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-45.5	176.3	-53.9	0	0	0	0	111.2	S572 H578 K579 I580	S572-T576 PolarHBondContact O-N 2.83Å; S572-T576 PolarHBondContact O-OG1 2.95Å; T576-H578 VanDerWaalsContact C-N 3.26Å; T576-H578 PolarHBondContact O-N 3.04Å; T576-K579 PolarHBondContact O-N 3.47Å; T576-I580 WeakPolarHBondContact O-CG1 3.38Å; T576-I580 PolarHBondContact O-N 3.46Å
577	K	78.3	Confident	78.7	Confident	124 Å²	124	71.1 Å²	71.1	54%	0.539	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-32.3	175.2	-73.1	171.4	-174.5	-178.2	0	112.9	S573 S574 L575	S573-K577 WeakPolarHBondContact O-CB 3.46Å; S573-K577 WeakPolarHBondContact O-CG 3.34Å; S573-K577 PolarHBondContact O-N 3.16Å; S574-K577 PolarHBondContact O-N 3.11Å; L575-K577 VanDerWaalsContact C-N 3.33Å; L575-K577 PolarHBondContact O-N 3.35Å
578	H	81.6	Confident	78.3	Confident	17 Å²	17	69.5 Å²	69.5	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-73.5	-39.6	176.8	171.9	64.2	0	0	0	112	C565 F569 S574 L575 T576 I580 I581 H582	C565-H578 PolarHBondContact SG-NE2 2.79Å; F569-H578 HydrophobicContact CE1-CB 4.06Å; F569-H578 HydrophobicContact CE2-CB 3.87Å; F569-H578 AromaticContact CE2-CD2 3.36Å; F569-H578 WeakPolarHBondContact CE2-CD2 3.2Å; F569-H578 AromaticContact CE2-CG 3.62Å; F569-H578 HydrophobicContact CZ-CB 3.48Å; F569-H578 VanDerWaalsContact CZ-CB 3.48Å; F569-H578 AromaticContact CZ-CD2 3.46Å; F569-H578 VanDerWaalsContact CZ-CD2 3.46Å; F569-H578 WeakPolarHBondContact CZ-CD2 3.43Å; F569-H578 AromaticContact CZ-CG 3.24Å; F569-H578 AromaticContact CZ-ND1 3.75Å; S574-H578 VanDerWaalsContact O-CB 3.31Å; S574-H578 WeakPolarHBondContact O-CB 3.23Å; S574-H578 PolarHBondContact O-N 3.04Å; L575-H578 CarbonylContact O-C 3.24Å; L575-H578 WeakPolarHBondContact O-CA 3.41Å; L575-H578 WeakPolarHBondContact O-CB 3.48Å; L575-H578 PolarHBondContact O-N 2.96Å; T576-H578 VanDerWaalsContact C-N 3.26Å; T576-H578 PolarHBondContact O-N 3.04Å; H578-I580 PolarHBondContact O-N 3.02Å; H578-I581 WeakPolarHBondContact O-CB 3.46Å; H578-I581 WeakPolarHBondContact O-CG1 3.38Å; H578-I581 PolarHBondContact O-N 2.81Å; H578-H582 AromaticContact CD2-NE2 3.98Å; H578-H582 AromaticContact CE1-NE2 3.53Å; H578-H582 AromaticContact NE2-CD2 3.88Å; H578-H582 AromaticContact NE2-NE2 3.14Å; H578-H582 PolarHBondContact NE2-NE2 3.46Å; H578-H582 VanDerWaalsContact NE2-NE2 3.14Å
579	K	78.8	Confident	77.9	Confident	84 Å²	84	74.1 Å²	74.1	37%	0.365	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-33	175.8	-73.1	-171.6	173.6	-160.9	0	112.9	L575 T576 I581 H582 T583	L575-K579 HydrophobicContact CD1-CG 4.24Å; L575-K579 WeakPolarHBondContact O-CG 3.39Å; L575-K579 PolarHBondContact O-N 3.26Å; T576-K579 PolarHBondContact O-N 3.47Å; K579-I581 PolarHBondContact O-N 2.75Å; K579-I581 VanDerWaalsContact O-N 3.15Å; K579-H582 PolarHBondContact O-N 3.26Å; K579-H582 VanDerWaalsContact O-N 3.08Å; K579-T583 PolarHBondContact O-N 3.44Å
580	I	79.6	Confident	77.8	Confident	40 Å²	40	72.1 Å²	72.1	21%	0.205	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-23.8	174.2	-61.7	168.8	0	0	0	112.2	T576 H578 T583 G584 E585 N598	T576-I580 WeakPolarHBondContact O-CG1 3.38Å; T576-I580 PolarHBondContact O-N 3.46Å; H578-I580 PolarHBondContact O-N 3.02Å; I580-T583 WeakPolarHBondContact CA-OG1 3.31Å; I580-T583 PolarHBondContact O-OG1 2.86Å; I580-G584 PolarHBondContact O-N 3.39Å; I580-G584 VanDerWaalsContact O-N 3.17Å; I580-E585 VanDerWaalsContact CG2-O 3.31Å; I580-E585 WeakPolarHBondContact CG2-O 3.47Å; I580-N598 HydrophobicContact CG2-CB 4.1Å
581	I	76.9	Confident	77.8	Confident	90 Å²	90	77.3 Å²	77.3	46%	0.462	40%	0.401	S	S	.	.	H	α-helix	trans	-73	-38.2	177.1	-55.9	173.9	0	0	0	110.7	H578 K579	H578-I581 WeakPolarHBondContact O-CB 3.46Å; H578-I581 WeakPolarHBondContact O-CG1 3.38Å; H578-I581 PolarHBondContact O-N 2.81Å; K579-I581 PolarHBondContact O-N 2.75Å; K579-I581 VanDerWaalsContact O-N 3.15Å
582	H	75.6	Confident	77.6	Confident	78 Å²	78	79.2 Å²	79.2	36%	0.361	41%	0.414	S	S	.	.	H	α-helix	trans	-72.4	-36.8	177.9	-64.7	-53.6	0	0	0	112	C562 E564 C565 H578 K579 G584	C562-H582 PolarHBondContact SG-NE2 2.84Å; C562-H582 VanDerWaalsContact SG-NE2 3.39Å; E564-H582 WeakPolarHBondContact OE2-CB 3.39Å; E564-H582 IonicContact OE2-CD2 3.66Å; E564-H582 PolarHBondContact OE2-CD2 3.13Å; E564-H582 IonicContact OE2-CG 3.15Å; E564-H582 IonicContact OE2-NE2 3.99Å; C565-H582 PolarHBondContact SG-NE2 3.23Å; C565-H582 VanDerWaalsContact SG-NE2 3.36Å; H578-H582 AromaticContact CD2-NE2 3.98Å; H578-H582 AromaticContact CE1-NE2 3.53Å; H578-H582 AromaticContact NE2-CD2 3.88Å; H578-H582 AromaticContact NE2-NE2 3.14Å; H578-H582 PolarHBondContact NE2-NE2 3.46Å; H578-H582 VanDerWaalsContact NE2-NE2 3.14Å; K579-H582 PolarHBondContact O-N 3.26Å; K579-H582 VanDerWaalsContact O-N 3.08Å; H582-G584 VanDerWaalsContact C-N 3.29Å; H582-G584 PolarHBondContact O-N 3.41Å
583	T	71.1	Confident	77.6	Confident	82 Å²	82	78.5 Å²	78.5	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-78.1	-13.7	177.4	63.2	0	0	0	0	113.5	K579 I580 E585	K579-T583 PolarHBondContact O-N 3.44Å; I580-T583 WeakPolarHBondContact CA-OG1 3.31Å; I580-T583 PolarHBondContact O-OG1 2.86Å; T583-E585 PolarHBondContact O-N 3.42Å; T583-E585 VanDerWaalsContact O-N 3.07Å; T583-E585 WeakPolarHBondContact OG1-CB 3.47Å
584	G	65.3	Low	77.3	Confident	51 Å²	51	78.2 Å²	78.2	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	10.8	-175.9	0	0	0	0	0	114.2	I580 H582 K586	I580-G584 PolarHBondContact O-N 3.39Å; I580-G584 VanDerWaalsContact O-N 3.17Å; H582-G584 VanDerWaalsContact C-N 3.29Å; H582-G584 PolarHBondContact O-N 3.41Å; G584-K586 PolarHBondContact O-N 3.02Å
585	E	70.3	Confident	77.2	Confident	114 Å²	114	82.5 Å²	82.5	53%	0.533	43%	0.429	S	S	.	.			trans	-72	111.8	-168.3	-158.6	-173.2	153.8	0	0	111	I580 T583 S587	I580-E585 VanDerWaalsContact CG2-O 3.31Å; I580-E585 WeakPolarHBondContact CG2-O 3.47Å; T583-E585 PolarHBondContact O-N 3.42Å; T583-E585 VanDerWaalsContact O-N 3.07Å; T583-E585 WeakPolarHBondContact OG1-CB 3.47Å; E585-S587 PolarHBondContact O-N 3.04Å; E585-S587 PolarHBondContact OE1-OG 3.11Å
586	K	72.8	Confident	76.9	Confident	126 Å²	126	83 Å²	83	55%	0.548	44%	0.436	S	S	.	.			trans	-96.2	72.5	177	-68.7	172.7	172.5	-177.1	0	110.2	G584 Y588 A596 F597	G584-K586 PolarHBondContact O-N 3.02Å; K586-Y588 PolarHBondContact O-N 3.39Å; K586-A596 HydrophobicContact CB-CB 3.61Å; K586-A596 HydrophobicContact CD-CB 4.07Å; K586-A596 WeakPolarHBondContact CD-O 3.41Å; K586-A596 HydrophobicContact CG-CB 4.43Å; K586-F597 CarbonylContact C-O 3.58Å; K586-F597 WeakPolarHBondContact CA-O 3.46Å
587	S	73.1	Confident	76.7	Confident	65 Å²	65	80.7 Å²	80.7	46%	0.455	42%	0.418	S	S	.	.			trans	-72.2	-10	-174.2	-36.1	0	0	0	0	114.5	E585 F597	E585-S587 PolarHBondContact O-N 3.04Å; E585-S587 PolarHBondContact OE1-OG 3.11Å; S587-F597 PolarHBondContact N-O 3.37Å
588	Y	74.8	Confident	76.4	Confident	91 Å²	91	77.7 Å²	77.7	36%	0.357	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.2	-174.6	-57.7	-84.2	0	0	0	111.1	K586 A596 F597 P600	K586-Y588 PolarHBondContact O-N 3.39Å; Y588-A596 CarbonylContact O-C 3.56Å; Y588-A596 WeakPolarHBondContact O-CA 3.42Å; Y588-F597 PolarHBondContact N-O 2.83Å; Y588-F597 VanDerWaalsContact N-O 3.13Å; Y588-F597 PolarHBondContact O-N 3.16Å; Y588-P600 HydrophobicContact CD1-CB 3.99Å; Y588-P600 HydrophobicContact CD1-CG 4.24Å; Y588-P600 HydrophobicContact CE1-CB 3.83Å; Y588-P600 HydrophobicContact CE1-CG 3.66Å; Y588-P600 HydrophobicContact CE2-CG 4.02Å; Y588-P600 HydrophobicContact CG-CB 4.48Å
589	K	78.2	Confident	75.9	Confident	135 Å²	135	82 Å²	82	59%	0.587	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.2	179.6	-64.2	-176.7	-177.6	179.3	0	111.7	A596	K589-A596 HydrophobicContact CG-CB 3.98Å
590	C	81.9	Confident	75.7	Confident	1 Å²	1	81 Å²	81	1%	0.007	43%	0.425	C	S	.	.			trans	-82.9	117.1	167.9	-177.6	0	0	0	0	108.6	E592 G594 K595 F597 L603 H610	C590-E592 PolarHBondContact O-N 3.13Å; C590-G594 WeakPolarHBondContact O-CA 3.31Å; C590-G594 PolarHBondContact O-N 3.43Å; C590-K595 WeakPolarHBondContact CB-O 3.49Å; C590-K595 PolarHBondContact N-O 3.02Å; C590-F597 HydrophobicContact CB-CE2 4.21Å; C590-L603 HydrophobicContact CB-CD1 3.62Å; C590-H610 PolarHBondContact SG-NE2 3.15Å
591	E	80.9	Confident	75.6	Confident	165 Å²	165	82.6 Å²	82.6	77%	0.771	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.6	179	-58.1	-57.2	147.3	0	0	112.5
592	E	78.1	Confident	75.7	Confident	128 Å²	128	80.7 Å²	80.7	60%	0.598	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-28.1	-175.9	-69.6	167.9	-179.9	0	0	113.6	C590 H610	C590-E592 PolarHBondContact O-N 3.13Å; E592-H610 WeakPolarHBondContact OE2-CB 3.47Å; E592-H610 IonicContact OE2-CD2 3.99Å; E592-H610 PolarHBondContact OE2-CD2 2.93Å; E592-H610 IonicContact OE2-CG 3.06Å; E592-H610 IonicContact OE2-NE2 3.15Å
593	C	81.4	Confident	75.9	Confident	50 Å²	50	77.8 Å²	77.8	34%	0.338	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	5.2	-176.3	75	0	0	0	0	114.5	K595 H606 H610	C593-K595 PolarHBondContact O-N 3.45Å; C593-H606 PolarHBondContact SG-NE2 2.77Å; C593-H610 PolarHBondContact SG-NE2 2.99Å
594	G	76.7	Confident	76.3	Confident	55 Å²	55	77.5 Å²	77.5	57%	0.567	42%	0.419	S	S	*	.			trans	69.3	-5.1	179.6	0	0	0	0	0	115.8	C590 A596	C590-G594 WeakPolarHBondContact O-CA 3.31Å; C590-G594 PolarHBondContact O-N 3.43Å; G594-A596 PolarHBondContact O-N 3.13Å
595	K	80.3	Confident	77	Confident	128 Å²	128	79 Å²	79	56%	0.557	42%	0.417	S	S	*	.			trans	-64.8	129.5	-177.2	-71.3	-177.5	-178	178.7	0	111.1	C590 C593 F597	C590-K595 WeakPolarHBondContact CB-O 3.49Å; C590-K595 PolarHBondContact N-O 3.02Å; C593-K595 PolarHBondContact O-N 3.45Å; K595-F597 HydrophobicContact CB-CE2 3.69Å; K595-F597 HydrophobicContact CB-CZ 3.88Å; K595-F597 WeakPolarHBondContact O-CD2 3.44Å; K595-F597 VanDerWaalsContact O-CE2 3.25Å; K595-F597 WeakPolarHBondContact O-CE2 3.26Å
596	A	77.1	Confident	77.4	Confident	31 Å²	31	74.5 Å²	74.5	26%	0.256	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136	-179.7	0	0	0	0	0	111.3	K586 Y588 K589 G594	K586-A596 HydrophobicContact CB-CB 3.61Å; K586-A596 HydrophobicContact CD-CB 4.07Å; K586-A596 WeakPolarHBondContact CD-O 3.41Å; K586-A596 HydrophobicContact CG-CB 4.43Å; Y588-A596 CarbonylContact O-C 3.56Å; Y588-A596 WeakPolarHBondContact O-CA 3.42Å; K589-A596 HydrophobicContact CG-CB 3.98Å; G594-A596 PolarHBondContact O-N 3.13Å
597	F	77.8	Confident	77.7	Confident	40 Å²	40	72.8 Å²	72.8	18%	0.175	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.7	-175.4	-61	-90.7	0	0	0	110.3	K586 S587 Y588 C590 K595 R599 L603 H606	K586-F597 CarbonylContact C-O 3.58Å; K586-F597 WeakPolarHBondContact CA-O 3.46Å; S587-F597 PolarHBondContact N-O 3.37Å; Y588-F597 PolarHBondContact N-O 2.83Å; Y588-F597 VanDerWaalsContact N-O 3.13Å; Y588-F597 PolarHBondContact O-N 3.16Å; C590-F597 HydrophobicContact CB-CE2 4.21Å; K595-F597 HydrophobicContact CB-CE2 3.69Å; K595-F597 HydrophobicContact CB-CZ 3.88Å; K595-F597 WeakPolarHBondContact O-CD2 3.44Å; K595-F597 VanDerWaalsContact O-CE2 3.25Å; K595-F597 WeakPolarHBondContact O-CE2 3.26Å; F597-R599 VanDerWaalsContact C-N 3.35Å; F597-L603 HydrophobicContact CB-CB 4.32Å; F597-L603 HydrophobicContact CD2-CB 4.06Å; F597-L603 HydrophobicContact CD2-CD1 3.75Å; F597-L603 HydrophobicContact CD2-CG 4.49Å; F597-L603 HydrophobicContact CE2-CD1 3.93Å; F597-L603 HydrophobicContact CG-CB 4.28Å; F597-H606 HydrophobicContact CE1-CB 3.97Å; F597-H606 HydrophobicContact CE2-CB 4.06Å; F597-H606 AromaticContact CE2-CD2 3.41Å; F597-H606 VanDerWaalsContact CE2-CD2 3.41Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.21Å; F597-H606 AromaticContact CE2-CG 3.74Å; F597-H606 HydrophobicContact CZ-CB 3.54Å; F597-H606 AromaticContact CZ-CD2 3.34Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.01Å; F597-H606 AromaticContact CZ-CG 3.22Å; F597-H606 AromaticContact CZ-ND1 3.74Å; F597-H606 AromaticContact CZ-NE2 3.89Å
598	N	71.3	Confident	78	Confident	60 Å²	60	76 Å²	76	32%	0.321	39%	0.391	S	S	.	.	S	Bend	trans	-84.9	-7.8	176.3	60.1	8.3	0	0	0	113.1	I580	I580-N598 HydrophobicContact CG2-CB 4.1Å
599	R	71	Confident	78.2	Confident	108 Å²	108	77.5 Å²	77.5	41%	0.408	40%	0.404	S	S	.	.			trans	-136.4	139.3	-178.5	-66.2	175.1	179.5	-179.3	1.8	110.8	F597 S601 T602 L603	F597-R599 VanDerWaalsContact C-N 3.35Å; R599-S601 VanDerWaalsContact C-N 3.31Å; R599-S601 PolarHBondContact O-N 3.36Å; R599-T602 HydrophobicContact CB-CG2 4.16Å; R599-T602 WeakPolarHBondContact CB-OG1 3.48Å; R599-T602 PolarHBondContact O-N 3.49Å; R599-T602 PolarHBondContact O-OG1 3.39Å; R599-L603 PolarHBondContact O-N 3.38Å
600	P	75.3	Confident	78.1	Confident	62 Å²	62	74.9 Å²	74.9	40%	0.403	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-35.1	174.4	4	-0.6	0	0	0	112	Y588 T602 L603 T604	Y588-P600 HydrophobicContact CD1-CB 3.99Å; Y588-P600 HydrophobicContact CD1-CG 4.24Å; Y588-P600 HydrophobicContact CE1-CB 3.83Å; Y588-P600 HydrophobicContact CE1-CG 3.66Å; Y588-P600 HydrophobicContact CE2-CG 4.02Å; Y588-P600 HydrophobicContact CG-CB 4.48Å; P600-T602 VanDerWaalsContact C-N 3.33Å; P600-T602 PolarHBondContact O-N 3.19Å; P600-L603 WeakPolarHBondContact O-CB 3.29Å; P600-L603 PolarHBondContact O-N 3.25Å; P600-T604 PolarHBondContact O-N 3.38Å; P600-T604 PolarHBondContact O-OG1 2.92Å
601	S	77.8	Confident	77.5	Confident	75 Å²	75	79.1 Å²	79.1	52%	0.524	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-36	178.8	57.1	0	0	0	0	112.9	R599 T604 V605	R599-S601 VanDerWaalsContact C-N 3.31Å; R599-S601 PolarHBondContact O-N 3.36Å; S601-T604 PolarHBondContact O-N 3.06Å; S601-V605 WeakPolarHBondContact O-CG2 3.47Å; S601-V605 PolarHBondContact O-N 3.16Å
602	T	78.5	Confident	76.6	Confident	50 Å²	50	74.4 Å²	74.4	31%	0.307	42%	0.415	S	S	.	.	H	α-helix	trans	-73.9	-34.9	176.3	53.5	0	0	0	0	111.2	R599 P600 V605 H606	R599-T602 HydrophobicContact CB-CG2 4.16Å; R599-T602 WeakPolarHBondContact CB-OG1 3.48Å; R599-T602 PolarHBondContact O-N 3.49Å; R599-T602 PolarHBondContact O-OG1 3.39Å; P600-T602 VanDerWaalsContact C-N 3.33Å; P600-T602 PolarHBondContact O-N 3.19Å; T602-V605 PolarHBondContact O-N 3.27Å; T602-H606 VanDerWaalsContact O-CB 3.23Å; T602-H606 WeakPolarHBondContact O-CB 3.49Å; T602-H606 PolarHBondContact O-N 3.13Å
603	L	79.4	Confident	75.5	Confident	17 Å²	17	76.4 Å²	76.4	9%	0.089	42%	0.422	C	S	.	.	H	α-helix	trans	-61.9	-43.7	168.3	175.5	62.4	0	0	0	111.6	C590 F597 R599 P600 V605 H606 K607	C590-L603 HydrophobicContact CB-CD1 3.62Å; F597-L603 HydrophobicContact CB-CB 4.32Å; F597-L603 HydrophobicContact CD2-CB 4.06Å; F597-L603 HydrophobicContact CD2-CD1 3.75Å; F597-L603 HydrophobicContact CD2-CG 4.49Å; F597-L603 HydrophobicContact CE2-CD1 3.93Å; F597-L603 HydrophobicContact CG-CB 4.28Å; R599-L603 PolarHBondContact O-N 3.38Å; P600-L603 WeakPolarHBondContact O-CB 3.29Å; P600-L603 PolarHBondContact O-N 3.25Å; L603-V605 PolarHBondContact O-N 3.32Å; L603-H606 PolarHBondContact O-N 2.84Å; L603-K607 HydrophobicContact CD1-CD 4.45Å; L603-K607 HydrophobicContact CD1-CG 4.16Å; L603-K607 HydrophobicContact CG-CD 4.4Å; L603-K607 HydrophobicContact CG-CG 4.48Å; L603-K607 WeakPolarHBondContact O-CG 3.46Å; L603-K607 PolarHBondContact O-N 3.16Å
604	T	79.9	Confident	73.9	Confident	76 Å²	76	83 Å²	83	47%	0.466	45%	0.448	S	S	.	.	H	α-helix	trans	-61.5	-43	177.5	-55.5	0	0	0	0	111.7	P600 S601 K607 R608	P600-T604 PolarHBondContact O-N 3.38Å; P600-T604 PolarHBondContact O-OG1 2.92Å; S601-T604 PolarHBondContact O-N 3.06Å; T604-K607 PolarHBondContact O-N 3.33Å; T604-R608 PolarHBondContact O-N 3.47Å
605	V	79.9	Confident	72.6	Confident	81 Å²	81	88.5 Å²	88.5	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-66.2	-41.7	174.8	173	0	0	0	0	110.7	S601 T602 L603 K607 R608	S601-V605 WeakPolarHBondContact O-CG2 3.47Å; S601-V605 PolarHBondContact O-N 3.16Å; T602-V605 PolarHBondContact O-N 3.27Å; L603-V605 PolarHBondContact O-N 3.32Å; V605-K607 VanDerWaalsContact C-N 3.34Å; V605-K607 PolarHBondContact O-N 3.07Å; V605-R608 VanDerWaalsContact O-CB 3.29Å; V605-R608 WeakPolarHBondContact O-CB 3.36Å; V605-R608 PolarHBondContact O-N 3.17Å
606	H	79.9	Confident	70.4	Confident	21 Å²	21	91.5 Å²	91.5	10%	0.097	50%	0.496	C	S	.	.	H	α-helix	trans	-61.5	-40.4	176.4	176.6	63.9	0	0	0	112.6	C593 F597 T602 L603 R608 I609 H610	C593-H606 PolarHBondContact SG-NE2 2.77Å; F597-H606 HydrophobicContact CE1-CB 3.97Å; F597-H606 HydrophobicContact CE2-CB 4.06Å; F597-H606 AromaticContact CE2-CD2 3.41Å; F597-H606 VanDerWaalsContact CE2-CD2 3.41Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.21Å; F597-H606 AromaticContact CE2-CG 3.74Å; F597-H606 HydrophobicContact CZ-CB 3.54Å; F597-H606 AromaticContact CZ-CD2 3.34Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.01Å; F597-H606 AromaticContact CZ-CG 3.22Å; F597-H606 AromaticContact CZ-ND1 3.74Å; F597-H606 AromaticContact CZ-NE2 3.89Å; T602-H606 VanDerWaalsContact O-CB 3.23Å; T602-H606 WeakPolarHBondContact O-CB 3.49Å; T602-H606 PolarHBondContact O-N 3.13Å; L603-H606 PolarHBondContact O-N 2.84Å; H606-R608 PolarHBondContact O-N 3.36Å; H606-I609 VanDerWaalsContact O-CB 3.26Å; H606-I609 WeakPolarHBondContact O-CB 3.47Å; H606-I609 PolarHBondContact O-N 3.18Å; H606-H610 AromaticContact CD2-NE2 3.97Å; H606-H610 AromaticContact CE1-NE2 3.82Å; H606-H610 AromaticContact NE2-NE2 3.26Å; H606-H610 PolarHBondContact NE2-NE2 3.14Å
607	K	77.6	Confident	70	Confident	89 Å²	89	94.6 Å²	94.6	39%	0.387	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-21.6	173.5	-73.7	-176.4	176.1	-165.3	0	113.2	L603 T604 V605 I609 H610 T611	L603-K607 HydrophobicContact CD1-CD 4.45Å; L603-K607 HydrophobicContact CD1-CG 4.16Å; L603-K607 HydrophobicContact CG-CD 4.4Å; L603-K607 HydrophobicContact CG-CG 4.48Å; L603-K607 WeakPolarHBondContact O-CG 3.46Å; L603-K607 PolarHBondContact O-N 3.16Å; T604-K607 PolarHBondContact O-N 3.33Å; V605-K607 VanDerWaalsContact C-N 3.34Å; V605-K607 PolarHBondContact O-N 3.07Å; K607-I609 VanDerWaalsContact C-N 3.28Å; K607-H610 PolarHBondContact O-N 3.08Å; K607-T611 PolarHBondContact O-N 3.39Å; K607-T611 PolarHBondContact O-OG1 3.45Å
608	R	80.1	Confident	69.6	Low	132 Å²	132	97.4 Å²	97.4	50%	0.498	53%	0.525	S	S	.	.	H	α-helix	trans	-69.9	-26.6	172.9	-65.8	178.4	-175.1	-179.1	-1.7	112.8	T604 V605 H606 T611 G612	T604-R608 PolarHBondContact O-N 3.47Å; V605-R608 VanDerWaalsContact O-CB 3.29Å; V605-R608 WeakPolarHBondContact O-CB 3.36Å; V605-R608 PolarHBondContact O-N 3.17Å; H606-R608 PolarHBondContact O-N 3.36Å; R608-T611 VanDerWaalsContact CA-OG1 3.31Å; R608-T611 WeakPolarHBondContact CA-OG1 3.13Å; R608-T611 PolarHBondContact O-N 3.36Å; R608-T611 PolarHBondContact O-OG1 2.78Å; R608-G612 PolarHBondContact O-N 3.35Å
609	I	78.7	Confident	69.5	Low	124 Å²	124	99.5 Å²	99.5	64%	0.636	54%	0.536	S	S	*	.	H	α-helix	trans	-67.8	-39.4	177	-54.5	174.7	0	0	0	110	H606 K607 T611	H606-I609 VanDerWaalsContact O-CB 3.26Å; H606-I609 WeakPolarHBondContact O-CB 3.47Å; H606-I609 PolarHBondContact O-N 3.18Å; K607-I609 VanDerWaalsContact C-N 3.28Å; I609-T611 VanDerWaalsContact C-N 3.28Å; I609-T611 PolarHBondContact O-N 3.1Å
610	H	76.3	Confident	69.5	Low	80 Å²	80	99 Å²	99	37%	0.37	54%	0.544	S	S	.	.	H	α-helix	trans	-70.5	-23.7	175.2	-62.2	-49.9	0	0	0	113.5	C590 E592 C593 H606 K607	C590-H610 PolarHBondContact SG-NE2 3.15Å; E592-H610 WeakPolarHBondContact OE2-CB 3.47Å; E592-H610 IonicContact OE2-CD2 3.99Å; E592-H610 PolarHBondContact OE2-CD2 2.93Å; E592-H610 IonicContact OE2-CG 3.06Å; E592-H610 IonicContact OE2-NE2 3.15Å; C593-H610 PolarHBondContact SG-NE2 2.99Å; H606-H610 AromaticContact CD2-NE2 3.97Å; H606-H610 AromaticContact CE1-NE2 3.82Å; H606-H610 AromaticContact NE2-NE2 3.26Å; H606-H610 PolarHBondContact NE2-NE2 3.14Å; K607-H610 PolarHBondContact O-N 3.08Å
611	T	70.8	Confident	69.1	Low	90 Å²	90	101.3 Å²	101.3	55%	0.552	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	7.9	-178.4	49.2	0	0	0	0	113.7	K607 R608 I609 K613	K607-T611 PolarHBondContact O-N 3.39Å; K607-T611 PolarHBondContact O-OG1 3.45Å; R608-T611 VanDerWaalsContact CA-OG1 3.31Å; R608-T611 WeakPolarHBondContact CA-OG1 3.13Å; R608-T611 PolarHBondContact O-N 3.36Å; R608-T611 PolarHBondContact O-OG1 2.78Å; I609-T611 VanDerWaalsContact C-N 3.28Å; I609-T611 PolarHBondContact O-N 3.1Å; T611-K613 PolarHBondContact O-N 2.97Å; T611-K613 VanDerWaalsContact O-N 3.12Å
612	G	60.4	Low	68.5	Low	66 Å²	66	103.1 Å²	103.1	68%	0.68	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.5	19.2	169.5	0	0	0	0	0	116	R608 E614	R608-G612 PolarHBondContact O-N 3.35Å; G612-E614 PolarHBondContact O-N 2.81Å
613	K	54.6	Low	67.8	Low	170 Å²	170	106.9 Å²	106.9	74%	0.739	57%	0.572	S	S	*	*			trans	-93.3	85.7	176	-75.3	-171.6	176.1	-176.8	0	110.2	T611	T611-K613 PolarHBondContact O-N 2.97Å; T611-K613 VanDerWaalsContact O-N 3.12Å
614	E	49.1	Very low	66.9	Low	187 Å²	187	113.8 Å²	113.8	87%	0.874	61%	0.61	S	S	*	*			trans	-66	150.1	162.1	-71.7	-165.9	151.4	0	0	110.8	G612	G612-E614 PolarHBondContact O-N 2.81Å
615	H	48.4	Very low	65.8	Low	171 Å²	171	116.9 Å²	116.9	79%	0.792	62%	0.622	S	S	*	*			trans	-61.9	132.7	-171.6	-85.4	-92.8	0	0	0	113
616	S	34.3	Very low	64.5	Low	192 Å²	192	120.2 Å²	120.2	100%	1.343	63%	0.633	S	S	*	*			trans	-113	0	149.2	-49.2	0	0	0	0	108.5

Retrieved 616 of 616 residues in 473.2 ms (Link to these results)

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