A0A087XC19_POEFO Loading...

Protein kinase C delta type

Calcium-independent, phospholipid- and diacylglycerol (DAG)-dependent serine/threonine-protein kinase that plays contrasting roles in cell death and cell survival by functioning as a pro-apoptotic protein during DNA damage-induced apoptosis, but acting as an anti-apoptotic protein during cytokine receptor-initiated cell death, is involved in tumor suppression.

AlphaFold DB , UniProt , Accession A0A087XC19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 688 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.1	Low	84.4	Confident	189 Å²	189	49.2 Å²	49.2	93%	0.931	27%	0.265	S	S	*	.				0	166.8	0	-66.6	-175.4	156.5	0	0	111	E121	M1-E121 WeakPolarHBondContact CB-OE1 3.44Å; M1-E121 WeakPolarHBondContact CG-OE1 3.26Å; M1-E121 PolarHBondContact N-OE1 3.13Å; M1-E121 PolarHBondContact N-OE2 3.1Å
2	A	64	Low	84.9	Confident	39 Å²	39	49.4 Å²	49.4	32%	0.322	26%	0.262	S	S	.	.			trans	-81.9	148	-179.3	0	0	0	0	0	112.3
3	P	81.8	Confident	85.2	Confident	52 Å²	52	52 Å²	52	34%	0.338	28%	0.276	S	S	.	.			trans	-62.9	146	-178	27.9	-36.2	0	0	0	112.3	I61 Y118	P3-I61 HydrophobicContact CB-CD1 4.23Å; P3-I61 WeakPolarHBondContact O-CB 3.39Å; P3-I61 PolarHBondContact O-N 3.2Å; P3-Y118 HydrophobicContact CB-CE2 4.4Å
4	F	89.9	Confident	84.8	Confident	52 Å²	52	51.6 Å²	51.6	23%	0.228	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.1	-176.4	72.4	-84.8	0	0	0	113.4	D58 H60 F119	F4-D58 HydrophobicContact CD2-CB 3.98Å; F4-D58 HydrophobicContact CE2-CB 4.32Å; F4-H60 HydrophobicContact CB-CB 4.42Å; F4-F119 HydrophobicContact CD1-CB 4.29Å; F4-F119 HydrophobicContact CE1-CB 3.83Å; F4-F119 HydrophobicContact CE2-CB 4.22Å; F4-F119 AromaticContact CE2-CD2 3.96Å; F4-F119 HydrophobicContact CE2-CD2 3.96Å; F4-F119 HydrophobicContact CE2-CG 4.22Å; F4-F119 HydrophobicContact CZ-CB 3.79Å; F4-F119 HydrophobicContact CZ-CD2 4.19Å; F4-F119 AromaticContact CZ-CG 3.98Å; F4-F119 HydrophobicContact CZ-CG 3.98Å; F4-F119 PolarHBondContact O-N 3.45Å
5	L	89.6	Confident	84.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.5	173.5	-60.4	-179.7	0	0	0	110.2	I7 D58 A59 I61 V86 L89 A90 V116 Q117 Y118	L5-I7 HydrophobicContact CB-CD1 4.34Å; L5-I7 HydrophobicContact CB-CG1 4.1Å; L5-D58 CarbonylContact O-C 3.57Å; L5-D58 WeakPolarHBondContact O-CA 3.19Å; L5-A59 PolarHBondContact N-O 2.8Å; L5-A59 PolarHBondContact O-N 3.13Å; L5-I61 HydrophobicContact CD2-CD1 3.98Å; L5-I61 HydrophobicContact CG-CD1 3.97Å; L5-I61 HydrophobicContact CG-CG1 3.96Å; L5-V86 HydrophobicContact CD1-CG1 3.88Å; L5-V86 WeakPolarHBondContact CD1-O 3.38Å; L5-L89 HydrophobicContact CD1-CB 3.6Å; L5-A90 HydrophobicContact CD1-CB 4.16Å; L5-A90 HydrophobicContact CD2-CB 3.97Å; L5-A90 HydrophobicContact CG-CB 4.38Å; L5-V116 HydrophobicContact CB-CG1 3.99Å; L5-V116 HydrophobicContact CD1-CG1 3.9Å; L5-V116 HydrophobicContact CD2-CG1 3.98Å; L5-V116 HydrophobicContact CG-CG1 4.18Å; L5-Q117 CarbonylContact C-O 3.51Å; L5-Q117 WeakPolarHBondContact CA-O 3.46Å; L5-Y118 HydrophobicContact CD2-CD2 3.68Å; L5-Y118 HydrophobicContact CD2-CG 4.29Å
6	R	92.4	Very high	84.4	Confident	95 Å²	95	58.3 Å²	58.3	36%	0.358	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.4	163.9	-175.3	159.1	-73.1	170.3	-0.8	109	D58 V116 Q117 F119	R6-D58 WeakPolarHBondContact CB-OD1 3.19Å; R6-D58 WeakPolarHBondContact CG-OD1 3.41Å; R6-D58 IonicContact CZ-OD1 3.95Å; R6-D58 IonicContact CZ-OD2 2.82Å; R6-D58 IonicContact NE-OD1 2.69Å; R6-D58 PolarHBondContact NE-OD1 3.25Å; R6-D58 IonicContact NE-OD2 2.97Å; R6-D58 IonicContact NH2-OD1 2.96Å; R6-D58 PolarHBondContact NH2-OD1 3.45Å; R6-D58 IonicContact NH2-OD2 2.63Å; R6-D58 PolarHBondContact NH2-OD2 3.44Å; R6-V116 CarbonylContact O-C 3.55Å; R6-V116 WeakPolarHBondContact O-CA 3.28Å; R6-Q117 PolarHBondContact N-O 3.43Å; R6-Q117 PolarHBondContact O-N 3.29Å; R6-F119 HydrophobicContact CB-CD2 4.22Å; R6-F119 HydrophobicContact CB-CE2 3.69Å
7	I	92.6	Very high	83.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.9	-172.4	-57.6	172.7	0	0	0	109.4	L5 F9 S56 F57 A59 L67 L89 M114 A115 V116	L5-I7 HydrophobicContact CB-CD1 4.34Å; L5-I7 HydrophobicContact CB-CG1 4.1Å; I7-F9 HydrophobicContact CG2-CE1 4.35Å; I7-F9 HydrophobicContact CG2-CZ 4.21Å; I7-S56 CarbonylContact O-C 3.5Å; I7-S56 VanDerWaalsContact O-CA 3.23Å; I7-S56 WeakPolarHBondContact O-CA 3.18Å; I7-F57 HydrophobicContact CB-CD1 4.48Å; I7-F57 HydrophobicContact CB-CE1 3.93Å; I7-F57 HydrophobicContact CB-CE2 4.14Å; I7-F57 HydrophobicContact CB-CZ 3.75Å; I7-F57 HydrophobicContact CD1-CE2 4.3Å; I7-F57 HydrophobicContact CD1-CZ 4.37Å; I7-F57 HydrophobicContact CG2-CE1 3.87Å; I7-F57 HydrophobicContact CG2-CZ 3.72Å; I7-F57 PolarHBondContact N-O 3.49Å; I7-F57 VanDerWaalsContact O-CD1 3.27Å; I7-F57 WeakPolarHBondContact O-CD1 3.34Å; I7-F57 PolarHBondContact O-N 2.77Å; I7-A59 HydrophobicContact CD1-CB 3.84Å; I7-L67 HydrophobicContact CD1-CD1 4.45Å; I7-L89 HydrophobicContact CD1-CD1 4.26Å; I7-M114 HydrophobicContact CG2-CG 3.74Å; I7-M114 HydrophobicContact CG2-SD 3.79Å; I7-A115 CarbonylContact C-O 3.56Å; I7-A115 WeakPolarHBondContact CA-O 3.47Å; I7-V116 HydrophobicContact CG1-CG1 4.04Å; I7-V116 HydrophobicContact CG1-CG2 4.22Å; I7-V116 HydrophobicContact CG2-CG2 4.37Å
8	A	93.4	Very high	83	Confident	13 Å²	13	58.2 Å²	58.2	11%	0.107	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.3	171.4	0	0	0	0	0	110.7	A55 M114 A115	A8-A55 WeakPolarHBondContact CB-O 3.28Å; A8-M114 WeakPolarHBondContact O-CA 3.18Å; A8-A115 PolarHBondContact N-O 3.23Å; A8-A115 PolarHBondContact O-N 3.44Å
9	F	92.8	Very high	82.1	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.5	174.2	-58.9	-64.2	0	0	0	109.7	I7 C26 I28 P51 W53 K54 F57 L67 I69 V112 M113 M114	I7-F9 HydrophobicContact CG2-CE1 4.35Å; I7-F9 HydrophobicContact CG2-CZ 4.21Å; F9-C26 HydrophobicContact CD2-CB 4.25Å; F9-I28 HydrophobicContact CD2-CD1 4.38Å; F9-I28 HydrophobicContact CE2-CD1 3.31Å; F9-I28 HydrophobicContact CE2-CG1 3.84Å; F9-I28 HydrophobicContact CZ-CD1 3.57Å; F9-I28 HydrophobicContact CZ-CG1 4.44Å; F9-P51 HydrophobicContact CD2-CG 4.09Å; F9-P51 HydrophobicContact CE2-CG 4.12Å; F9-W53 HydrophobicContact CB-CE3 3.84Å; F9-W53 HydrophobicContact CB-CZ3 3.71Å; F9-K54 PolarHBondContact O-N 3.49Å; F9-F57 HydrophobicContact CD2-CE1 4.15Å; F9-F57 AromaticContact CE2-CE1 3.52Å; F9-F57 HydrophobicContact CE2-CE1 3.52Å; F9-F57 AromaticContact CE2-CZ 3.84Å; F9-F57 HydrophobicContact CE2-CZ 3.84Å; F9-F57 HydrophobicContact CZ-CE1 4.18Å; F9-F57 HydrophobicContact CZ-CZ 4.13Å; F9-L67 HydrophobicContact CZ-CD2 4.39Å; F9-I69 HydrophobicContact CE1-CD1 3.78Å; F9-I69 HydrophobicContact CE1-CG1 4.48Å; F9-I69 HydrophobicContact CE1-CG2 4.49Å; F9-I69 HydrophobicContact CZ-CD1 3.88Å; F9-I69 HydrophobicContact CZ-CG1 4.11Å; F9-I69 HydrophobicContact CZ-CG2 4.28Å; F9-V112 HydrophobicContact CB-CG1 3.91Å; F9-V112 HydrophobicContact CD1-CG1 3.37Å; F9-V112 HydrophobicContact CE1-CG1 4.15Å; F9-V112 HydrophobicContact CG-CG1 3.89Å; F9-M113 CarbonylContact C-O 3.44Å; F9-M113 WeakPolarHBondContact CA-O 3.33Å; F9-M114 HydrophobicContact CD1-CB 3.99Å; F9-M114 HydrophobicContact CD1-CG 3.95Å; F9-M114 HydrophobicContact CE1-CB 4.03Å; F9-M114 HydrophobicContact CE1-CG 3.68Å; F9-M114 HydrophobicContact CE1-SD 3.67Å; F9-M114 HydrophobicContact CZ-SD 4.36Å
10	N	89.6	Confident	81.6	Confident	44 Å²	44	60.8 Å²	60.8	24%	0.235	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-28.5	-166.5	-72.7	-16.1	0	0	0	113.8	E101 M113 A115	N10-E101 PolarHBondContact ND2-OE1 2.99Å; N10-M113 HydrophobicContact CB-CG 4.37Å; N10-M113 PolarHBondContact N-O 3.21Å; N10-A115 WeakPolarHBondContact ND2-CB 3.4Å
11	S	90.3	Very high	80.9	Confident	54 Å²	54	63.6 Å²	63.6	38%	0.378	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	165.2	-177	-165.9	0	0	0	0	110.7	M113	S11-M113 PolarHBondContact O-N 3.47Å
12	F	90.4	Very high	81.8	Confident	52 Å²	52	56.9 Å²	56.9	23%	0.228	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.8	173.9	65.4	-84.2	0	0	0	110.6	M14 Q23 P24 W53 K111 V112	F12-M14 HydrophobicContact CD2-CG 3.69Å; F12-M14 HydrophobicContact CD2-SD 4.39Å; F12-M14 HydrophobicContact CE2-CG 3.7Å; F12-M14 HydrophobicContact CE2-SD 3.85Å; F12-Q23 HydrophobicContact CE1-CG 3.81Å; F12-Q23 HydrophobicContact CZ-CG 3.85Å; F12-P24 HydrophobicContact CD1-CG 4.47Å; F12-P24 HydrophobicContact CD2-CG 3.64Å; F12-P24 HydrophobicContact CE1-CG 4.18Å; F12-P24 HydrophobicContact CE2-CG 3.28Å; F12-P24 HydrophobicContact CG-CG 4.25Å; F12-P24 VanDerWaalsContact CZ-CD 3.48Å; F12-P24 HydrophobicContact CZ-CG 3.6Å; F12-W53 HydrophobicContact CB-CH2 3.53Å; F12-W53 HydrophobicContact CB-CZ2 4.08Å; F12-W53 HydrophobicContact CB-CZ3 3.99Å; F12-W53 HydrophobicContact CD1-CD2 4.14Å; F12-W53 AromaticContact CD1-CE2 3.67Å; F12-W53 HydrophobicContact CD1-CE3 4.28Å; F12-W53 AromaticContact CD1-CH2 3.68Å; F12-W53 HydrophobicContact CD1-CH2 3.68Å; F12-W53 AromaticContact CD1-CZ2 3.45Å; F12-W53 HydrophobicContact CD1-CZ2 3.45Å; F12-W53 VanDerWaalsContact CD1-CZ2 3.45Å; F12-W53 HydrophobicContact CD1-CZ3 4.06Å; F12-W53 HydrophobicContact CE1-CZ2 4.19Å; F12-W53 AromaticContact CG-CH2 3.88Å; F12-W53 HydrophobicContact CG-CH2 3.88Å; F12-W53 AromaticContact CG-CZ2 3.91Å; F12-W53 HydrophobicContact CG-CZ2 3.91Å; F12-W53 HydrophobicContact CG-CZ3 4.47Å; F12-K111 CarbonylContact C-O 3.57Å; F12-K111 VanDerWaalsContact CA-O 3.27Å; F12-K111 WeakPolarHBondContact CA-O 3.49Å; F12-V112 HydrophobicContact CB-CG2 4.01Å
13	D	88.4	Confident	82.6	Confident	83 Å²	83	61.5 Å²	61.5	44%	0.444	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.1	170.4	-176.3	-10.8	0	0	0	107.1	G15 W103 G110 K111	D13-G15 VanDerWaalsContact C-N 3.34Å; D13-G15 PolarHBondContact OD1-N 3.41Å; D13-W103 HydrophobicContact CB-CZ3 4.4Å; D13-G110 CarbonylContact O-C 3.57Å; D13-G110 WeakPolarHBondContact O-CA 3.34Å; D13-K111 HydrophobicContact CB-CB 4.44Å; D13-K111 PolarHBondContact N-O 3.29Å; D13-K111 PolarHBondContact O-N 3.49Å
14	M	80.4	Confident	82.8	Confident	46 Å²	46	59.1 Å²	59.1	23%	0.227	35%	0.354	C	S	.	.			trans	-87.7	-7.1	-177.2	-56.6	-170.8	-49.9	0	0	112.3	F12 I16 L17 L20 P24	F12-M14 HydrophobicContact CD2-CG 3.69Å; F12-M14 HydrophobicContact CD2-SD 4.39Å; F12-M14 HydrophobicContact CE2-CG 3.7Å; F12-M14 HydrophobicContact CE2-SD 3.85Å; M14-I16 PolarHBondContact O-N 3.33Å; M14-I16 VanDerWaalsContact O-N 3.16Å; M14-L17 HydrophobicContact CB-CB 4.24Å; M14-L17 HydrophobicContact CB-CD1 4.46Å; M14-L17 WeakPolarHBondContact O-CB 3.39Å; M14-L17 WeakPolarHBondContact O-CD1 3.24Å; M14-L17 WeakPolarHBondContact O-CG 3.43Å; M14-L17 PolarHBondContact O-N 2.96Å; M14-L20 HydrophobicContact CE-CD1 3.92Å; M14-L20 HydrophobicContact SD-CD1 3.21Å; M14-L20 WeakPolarHBondContact SD-CD1 3.46Å; M14-L20 HydrophobicContact SD-CG 4.5Å; M14-P24 HydrophobicContact SD-CG 3.94Å
15	G	83.6	Confident	82.9	Confident	48 Å²	48	59.7 Å²	59.7	50%	0.495	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	-120.1	-179.2	0	0	0	0	0	111.9	D13 L17	D13-G15 VanDerWaalsContact C-N 3.34Å; D13-G15 PolarHBondContact OD1-N 3.41Å; G15-L17 VanDerWaalsContact C-N 3.35Å
16	I	79.7	Confident	82.9	Confident	162 Å²	162	59.7 Å²	59.7	83%	0.831	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	7.2	-176	-48.1	164.8	0	0	0	111.3	M14 S109	M14-I16 PolarHBondContact O-N 3.33Å; M14-I16 VanDerWaalsContact O-N 3.16Å; I16-S109 PolarHBondContact N-OG 3.12Å
17	L	74.4	Confident	82.8	Confident	28 Å²	28	55.4 Å²	55.4	15%	0.147	34%	0.342	C	S	.	.	S	Bend	trans	-67.5	151.4	179.4	-64.9	170.2	0	0	0	111.8	M14 G15 L79 A80 S109	M14-L17 HydrophobicContact CB-CB 4.24Å; M14-L17 HydrophobicContact CB-CD1 4.46Å; M14-L17 WeakPolarHBondContact O-CB 3.39Å; M14-L17 WeakPolarHBondContact O-CD1 3.24Å; M14-L17 WeakPolarHBondContact O-CG 3.43Å; M14-L17 PolarHBondContact O-N 2.96Å; G15-L17 VanDerWaalsContact C-N 3.35Å; L17-L79 HydrophobicContact CD1-CB 4.04Å; L17-A80 HydrophobicContact CD1-CB 4.46Å; L17-S109 WeakPolarHBondContact CD1-O 3.37Å
18	P	69.4	Low	82.9	Confident	88 Å²	88	55.4 Å²	55.4	57%	0.571	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-58	143.3	-176.5	-22	31.7	0	0	0	112.6	L20	P18-L20 PolarHBondContact O-N 3.46Å
19	P	64.7	Low	82.8	Confident	131 Å²	131	57.7 Å²	57.7	85%	0.851	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-60.4	129	176.8	22.3	-30	0	0	0	110.6
20	L	72	Confident	82.7	Confident	37 Å²	37	58.9 Å²	58.9	19%	0.194	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-98.1	142	-176.3	-76	128.5	0	0	0	111.5	M14 P18 G22 K73 L79	M14-L20 HydrophobicContact CE-CD1 3.92Å; M14-L20 HydrophobicContact SD-CD1 3.21Å; M14-L20 WeakPolarHBondContact SD-CD1 3.46Å; M14-L20 HydrophobicContact SD-CG 4.5Å; P18-L20 PolarHBondContact O-N 3.46Å; L20-G22 VanDerWaalsContact CB-O 3.29Å; L20-G22 WeakPolarHBondContact CB-O 3.29Å; L20-G22 PolarHBondContact O-N 3Å; L20-K73 HydrophobicContact CD2-CB 3.75Å; L20-K73 HydrophobicContact CD2-CD 3.38Å; L20-K73 HydrophobicContact CD2-CG 3.24Å; L20-L79 HydrophobicContact CD1-CD1 3.79Å; L20-L79 HydrophobicContact CD2-CD1 4.3Å
21	A	66.4	Low	82.6	Confident	120 Å²	120	58.5 Å²	58.5	99%	0.992	35%	0.351	S	S	*	.	S	Bend	trans	-73.5	-8.3	173.8	0	0	0	0	0	113.5
22	G	72.1	Confident	82.5	Confident	48 Å²	48	58.6 Å²	58.6	50%	0.495	35%	0.346	S	S	.	.	S	Bend	trans	-150.9	167.1	179.1	0	0	0	0	0	111.8	L20	L20-G22 VanDerWaalsContact CB-O 3.29Å; L20-G22 WeakPolarHBondContact CB-O 3.29Å; L20-G22 PolarHBondContact O-N 3Å
23	Q	80.4	Confident	81.9	Confident	135 Å²	135	58 Å²	58	63%	0.631	35%	0.35	S	S	*	.			trans	-71.5	128.5	-178.2	-170.9	176.7	-4.1	0	0	110.7	F12 W53	F12-Q23 HydrophobicContact CE1-CG 3.81Å; F12-Q23 HydrophobicContact CZ-CG 3.85Å; Q23-W53 VanDerWaalsContact NE2-CD1 3.28Å
24	P	86.5	Confident	81.3	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.019	34%	0.344	C	S	.	.			trans	-65.7	161	174.5	30.2	-36.8	0	0	0	111	F12 M14 W53 L71 M72 L79	F12-P24 HydrophobicContact CD1-CG 4.47Å; F12-P24 HydrophobicContact CD2-CG 3.64Å; F12-P24 HydrophobicContact CE1-CG 4.18Å; F12-P24 HydrophobicContact CE2-CG 3.28Å; F12-P24 HydrophobicContact CG-CG 4.25Å; F12-P24 VanDerWaalsContact CZ-CD 3.48Å; F12-P24 HydrophobicContact CZ-CG 3.6Å; M14-P24 HydrophobicContact SD-CG 3.94Å; P24-W53 PolarHBondContact O-NE1 3.39Å; P24-L71 HydrophobicContact CB-CD1 3.91Å; P24-L71 HydrophobicContact CB-CG 4.18Å; P24-L71 HydrophobicContact CG-CD1 4.18Å; P24-M72 WeakPolarHBondContact CA-O 3.25Å; P24-M72 WeakPolarHBondContact CB-O 3.49Å; P24-L79 HydrophobicContact CB-CD1 4.44Å
25	F	90.9	Very high	80.9	Confident	63 Å²	63	60.1 Å²	60.1	28%	0.276	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.2	177.8	64.8	-85.2	0	0	0	111.6	Y50 M72	F25-Y50 HydrophobicContact CD2-CD1 4.1Å; F25-Y50 AromaticContact CE2-CD1 3.77Å; F25-Y50 HydrophobicContact CE2-CD1 3.77Å; F25-Y50 HydrophobicContact CE2-CE1 4.02Å; F25-M72 HydrophobicContact CD1-CB 4.33Å; F25-M72 HydrophobicContact CD2-CB 4.12Å; F25-M72 HydrophobicContact CE1-CB 3.94Å; F25-M72 HydrophobicContact CE2-CB 3.71Å; F25-M72 HydrophobicContact CE2-CG 4.05Å; F25-M72 HydrophobicContact CG-CB 4.41Å; F25-M72 HydrophobicContact CZ-CB 3.62Å; F25-M72 HydrophobicContact CZ-CG 4.34Å; F25-M72 PolarHBondContact N-O 2.92Å; F25-M72 VanDerWaalsContact N-O 3.07Å; F25-M72 WeakPolarHBondContact O-CB 3.36Å; F25-M72 PolarHBondContact O-N 3.19Å
26	C	90.2	Very high	80.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.4	179.8	-71.7	0	0	0	0	111.6	F9 I28 W53 L70	F9-C26 HydrophobicContact CD2-CB 4.25Å; C26-I28 HydrophobicContact CB-CD1 4.33Å; C26-W53 WeakPolarHBondContact SG-CH2 3.44Å; C26-L70 CarbonylContact C-O 3.49Å; C26-L70 WeakPolarHBondContact CA-O 3.41Å
27	A	91.5	Very high	79.6	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.033	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	165.3	0	0	0	0	0	109.2	T48 M49 Y50 L70 M72	A27-T48 HydrophobicContact CB-CG2 3.97Å; A27-M49 CarbonylContact C-O 3.5Å; A27-M49 WeakPolarHBondContact CA-O 3.44Å; A27-Y50 HydrophobicContact CB-CD1 3.79Å; A27-Y50 HydrophobicContact CB-CE1 3.52Å; A27-L70 HydrophobicContact CB-CB 4.36Å; A27-L70 PolarHBondContact N-O 3.29Å; A27-L70 WeakPolarHBondContact O-CD1 3.04Å; A27-L70 PolarHBondContact O-N 2.88Å; A27-M72 HydrophobicContact CB-CG 3.72Å; A27-M72 HydrophobicContact CB-SD 4.33Å
28	I	93.1	Very high	79.1	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119	-172	-52.4	-58.9	0	0	0	109.5	F9 C26 T48 M49 P51 F57 L67 E68 I69	F9-I28 HydrophobicContact CD2-CD1 4.38Å; F9-I28 HydrophobicContact CE2-CD1 3.31Å; F9-I28 HydrophobicContact CE2-CG1 3.84Å; F9-I28 HydrophobicContact CZ-CD1 3.57Å; F9-I28 HydrophobicContact CZ-CG1 4.44Å; C26-I28 HydrophobicContact CB-CD1 4.33Å; I28-T48 WeakPolarHBondContact O-CG2 3.48Å; I28-M49 HydrophobicContact CB-CB 4.24Å; I28-M49 PolarHBondContact N-O 2.87Å; I28-M49 PolarHBondContact O-N 3.47Å; I28-P51 HydrophobicContact CG1-CG 3.74Å; I28-F57 HydrophobicContact CG1-CZ 4.3Å; I28-F57 HydrophobicContact CG2-CE2 4.25Å; I28-F57 HydrophobicContact CG2-CZ 4.23Å; I28-L67 HydrophobicContact CG2-CD1 3.32Å; I28-L67 HydrophobicContact CG2-CG 3.82Å; I28-E68 WeakPolarHBondContact CA-O 3.49Å; I28-I69 HydrophobicContact CD1-CB 4.07Å; I28-I69 HydrophobicContact CD1-CG1 3.99Å; I28-I69 HydrophobicContact CD1-CG2 3.78Å
29	K	92.4	Very high	78.9	Confident	61 Å²	61	71.2 Å²	71.2	27%	0.265	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.6	175.2	-68.7	172.2	179.2	170.1	0	109.2	T48 E68 L70	K29-T48 HydrophobicContact CG-CG2 3.89Å; K29-T48 WeakPolarHBondContact CG-OG1 3.24Å; K29-E68 HydrophobicContact CB-CB 4.15Å; K29-E68 WeakPolarHBondContact CD-OE2 3.27Å; K29-E68 PolarHBondContact N-O 3.45Å; K29-E68 IonicContact NZ-OE2 3.39Å; K29-E68 PolarHBondContact O-N 3.43Å; K29-L70 HydrophobicContact CD-CD1 3.9Å; K29-L70 HydrophobicContact CG-CD1 4.16Å
30	M	89.8	Confident	79.2	Confident	28 Å²	28	73 Å²	73	14%	0.138	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.5	173.6	-74.7	-72.1	-81.7	0	0	109.2	M49 A59 R65 L67	M30-M49 HydrophobicContact CG-SD 4.45Å; M30-A59 HydrophobicContact CE-CB 3.89Å; M30-A59 HydrophobicContact SD-CB 4.48Å; M30-R65 HydrophobicContact CE-CG 4.29Å; M30-L67 HydrophobicContact SD-CB 4.49Å; M30-L67 HydrophobicContact SD-CD1 3.63Å
31	K	88.8	Confident	79.4	Confident	37 Å²	37	74.4 Å²	74.4	16%	0.161	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.3	-178.1	-61.1	-178.8	-177.5	174.1	0	111.3	L42 V43 Q44 V66 E68	K31-L42 HydrophobicContact CB-CB 4.19Å; K31-L42 HydrophobicContact CD-CB 4.11Å; K31-V43 WeakPolarHBondContact CA-O 3.26Å; K31-Q44 HydrophobicContact CG-CB 4.17Å; K31-V66 HydrophobicContact CB-CG2 3.78Å; K31-V66 PolarHBondContact N-O 3.21Å; K31-V66 PolarHBondContact O-N 3.14Å; K31-E68 WeakPolarHBondContact CE-OE2 3.48Å; K31-E68 IonicContact NZ-OE1 2.63Å; K31-E68 PolarHBondContact NZ-OE1 3.45Å; K31-E68 IonicContact NZ-OE2 2.85Å; K31-E68 PolarHBondContact NZ-OE2 3.37Å
32	E	86.6	Confident	80.2	Confident	56 Å²	56	72.7 Å²	72.7	26%	0.262	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.1	178.7	-61.5	-179.3	158.1	0	0	109.9	L34 L42 V43 R65	E32-L34 PolarHBondContact O-N 2.99Å; E32-L42 WeakPolarHBondContact O-CA 3.45Å; E32-V43 PolarHBondContact N-O 3.29Å; E32-V43 PolarHBondContact O-N 3.3Å; E32-R65 IonicContact OE1-CZ 2.68Å; E32-R65 IonicContact OE1-NE 2.68Å; E32-R65 IonicContact OE1-NH2 2.81Å; E32-R65 PolarHBondContact OE1-NH2 3.49Å
33	A	78.4	Confident	80.7	Confident	39 Å²	39	73.1 Å²	73.1	32%	0.322	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.5	174.2	0	0	0	0	0	110.9	T41 L42 G64	A33-T41 CarbonylContact C-O 3.54Å; A33-T41 WeakPolarHBondContact CA-O 3.33Å; A33-L42 HydrophobicContact CB-CD2 4Å; A33-G64 VanDerWaalsContact CB-O 3.31Å; A33-G64 WeakPolarHBondContact CB-O 3.14Å; A33-G64 PolarHBondContact N-O 3.46Å; A33-G64 VanDerWaalsContact N-O 3.16Å
34	L	77.2	Confident	80.8	Confident	60 Å²	60	69.7 Å²	69.7	31%	0.314	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.8	171.8	-77.6	159.7	0	0	0	109.5	E32 T36 K40 T41 V43	E32-L34 PolarHBondContact O-N 2.99Å; L34-T36 PolarHBondContact O-N 2.88Å; L34-K40 WeakPolarHBondContact O-CA 2.96Å; L34-T41 PolarHBondContact N-O 3.04Å; L34-T41 PolarHBondContact O-N 3.31Å; L34-T41 PolarHBondContact O-OG1 2.95Å; L34-V43 HydrophobicContact CD1-CB 3.72Å; L34-V43 HydrophobicContact CD1-CG1 4.33Å; L34-V43 HydrophobicContact CD1-CG2 3.6Å
35	T	70.6	Confident	80.2	Confident	114 Å²	114	77.9 Å²	77.9	70%	0.699	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	117.8	173	-52.4	0	0	0	0	108.7
36	T	71.8	Confident	79.5	Confident	63 Å²	63	82.2 Å²	82.2	39%	0.387	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	165.8	174.3	68.8	0	0	0	0	109.6	L34 R38 G39	L34-T36 PolarHBondContact O-N 2.88Å; T36-R38 PolarHBondContact O-N 3.5Å; T36-R38 PolarHBondContact OG1-N 3.04Å; T36-G39 PolarHBondContact N-O 3.35Å; T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-O 3.4Å
37	E	64.2	Low	79.1	Confident	210 Å²	210	87.7 Å²	87.7	98%	0.981	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.9	175.5	-63.4	-179.9	173.8	0	0	113.4
38	R	63.7	Low	78.9	Confident	250 Å²	250	89.1 Å²	89.1	94%	0.943	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	5.7	177.8	-61	-176.3	-178.8	-172.5	-0.1	113.8	T36	T36-R38 PolarHBondContact O-N 3.5Å; T36-R38 PolarHBondContact OG1-N 3.04Å
39	G	66.6	Low	78.7	Confident	35 Å²	35	92.4 Å²	92.4	36%	0.361	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117.3	-173	-178.3	0	0	0	0	0	114.1	T36	T36-G39 PolarHBondContact N-O 3.35Å; T36-G39 PolarHBondContact O-N 2.86Å; T36-G39 PolarHBondContact OG1-O 3.4Å
40	K	70.1	Confident	78.6	Confident	170 Å²	170	96 Å²	96	74%	0.739	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.6	178.3	-67.7	-175.7	178.7	-177.2	0	110.4	L34	L34-K40 WeakPolarHBondContact O-CA 2.96Å
41	T	77.4	Confident	78.5	Confident	66 Å²	66	95.7 Å²	95.7	41%	0.405	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.1	176.9	56.9	0	0	0	0	110.6	A33 L34	A33-T41 CarbonylContact C-O 3.54Å; A33-T41 WeakPolarHBondContact CA-O 3.33Å; L34-T41 PolarHBondContact N-O 3.04Å; L34-T41 PolarHBondContact O-N 3.31Å; L34-T41 PolarHBondContact O-OG1 2.95Å
42	L	81.9	Confident	78.4	Confident	84 Å²	84	97.1 Å²	97.1	44%	0.44	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.8	179.6	-68.4	173.6	0	0	0	110.3	K31 E32 A33 V66	K31-L42 HydrophobicContact CB-CB 4.19Å; K31-L42 HydrophobicContact CD-CB 4.11Å; E32-L42 WeakPolarHBondContact O-CA 3.45Å; A33-L42 HydrophobicContact CB-CD2 4Å; L42-V66 HydrophobicContact CD1-CG2 3.81Å; L42-V66 HydrophobicContact CD2-CG1 4.31Å; L42-V66 HydrophobicContact CD2-CG2 3.76Å; L42-V66 HydrophobicContact CG-CG2 4.36Å
43	V	82.3	Confident	78.4	Confident	56 Å²	56	96.8 Å²	96.8	34%	0.339	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.8	-179	178.8	0	0	0	0	110.8	K31 E32 L34 R45	K31-V43 WeakPolarHBondContact CA-O 3.26Å; E32-V43 PolarHBondContact N-O 3.29Å; E32-V43 PolarHBondContact O-N 3.3Å; L34-V43 HydrophobicContact CD1-CB 3.72Å; L34-V43 HydrophobicContact CD1-CG1 4.33Å; L34-V43 HydrophobicContact CD1-CG2 3.6Å; V43-R45 HydrophobicContact CG1-CG 4.45Å
44	Q	83.9	Confident	78.9	Confident	64 Å²	64	102.4 Å²	102.4	30%	0.299	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.1	173.1	-179	175.5	-7.6	0	0	109.4	K31 K46 T48	K31-Q44 HydrophobicContact CG-CB 4.17Å; Q44-K46 WeakPolarHBondContact CG-O 3.31Å; Q44-K46 PolarHBondContact NE2-O 3.4Å; Q44-T48 PolarHBondContact NE2-OG1 2.92Å
45	R	73.8	Confident	79.4	Confident	175 Å²	175	101.5 Å²	101.5	66%	0.66	51%	0.507	S	S	*	.			trans	-101.4	-22.5	178	-67.4	-177.4	173.2	-170.6	-2.4	113.9	V43	V43-R45 HydrophobicContact CG1-CG 4.45Å
46	K	76.3	Confident	80.2	Confident	153 Å²	153	99.6 Å²	99.6	67%	0.665	50%	0.499	S	S	*	.	S	Bend	trans	-108.6	152.2	-179.4	-65.1	-168.6	176.8	-167	0	111.1	Q44	Q44-K46 WeakPolarHBondContact CG-O 3.31Å; Q44-K46 PolarHBondContact NE2-O 3.4Å
47	P	82.1	Confident	81.1	Confident	116 Å²	116	97.3 Å²	97.3	75%	0.753	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-55.7	152.7	175	-24.2	33.8	0	0	0	113
48	T	86.8	Confident	82.4	Confident	34 Å²	34	90.5 Å²	90.5	21%	0.209	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-64.5	133.2	175.4	-60.4	0	0	0	0	110.3	A27 I28 K29 Q44 Y50	A27-T48 HydrophobicContact CB-CG2 3.97Å; I28-T48 WeakPolarHBondContact O-CG2 3.48Å; K29-T48 HydrophobicContact CG-CG2 3.89Å; K29-T48 WeakPolarHBondContact CG-OG1 3.24Å; Q44-T48 PolarHBondContact NE2-OG1 2.92Å; T48-Y50 HydrophobicContact CG2-CE1 4.28Å; T48-Y50 HydrophobicContact CG2-CE2 4.03Å; T48-Y50 WeakPolarHBondContact O-CD2 3.27Å; T48-Y50 WeakPolarHBondContact O-CE2 3.22Å
49	M	89	Confident	83.6	Confident	69 Å²	69	78.6 Å²	78.6	34%	0.34	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-93.3	145.2	179.8	-59	169.5	61.7	0	0	110.3	A27 I28 M30 P51 F57	A27-M49 CarbonylContact C-O 3.5Å; A27-M49 WeakPolarHBondContact CA-O 3.44Å; I28-M49 HydrophobicContact CB-CB 4.24Å; I28-M49 PolarHBondContact N-O 2.87Å; I28-M49 PolarHBondContact O-N 3.47Å; M30-M49 HydrophobicContact CG-SD 4.45Å; M49-P51 WeakPolarHBondContact O-CD 3.48Å; M49-F57 HydrophobicContact CE-CB 3.6Å; M49-F57 HydrophobicContact CE-CD2 3.61Å; M49-F57 HydrophobicContact CE-CG 3.77Å; M49-F57 HydrophobicContact SD-CD2 4.43Å
50	Y	89.6	Confident	84.6	Confident	138 Å²	138	80.5 Å²	80.5	54%	0.541	41%	0.408	S	S	.	.			trans	-125.3	71.1	179.6	-61.3	-87.8	0	0	0	110.1	F25 A27 T48 A52	F25-Y50 HydrophobicContact CD2-CD1 4.1Å; F25-Y50 AromaticContact CE2-CD1 3.77Å; F25-Y50 HydrophobicContact CE2-CD1 3.77Å; F25-Y50 HydrophobicContact CE2-CE1 4.02Å; A27-Y50 HydrophobicContact CB-CD1 3.79Å; A27-Y50 HydrophobicContact CB-CE1 3.52Å; T48-Y50 HydrophobicContact CG2-CE1 4.28Å; T48-Y50 HydrophobicContact CG2-CE2 4.03Å; T48-Y50 WeakPolarHBondContact O-CD2 3.27Å; T48-Y50 WeakPolarHBondContact O-CE2 3.22Å; Y50-A52 PolarHBondContact O-N 3.3Å
51	P	87.3	Confident	85.3	Confident	20 Å²	20	73.9 Å²	73.9	13%	0.13	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-65.6	133.6	-179.9	28.4	-33.4	0	0	0	110.2	F9 I28 M49 F57	F9-P51 HydrophobicContact CD2-CG 4.09Å; F9-P51 HydrophobicContact CE2-CG 4.12Å; I28-P51 HydrophobicContact CG1-CG 3.74Å; M49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-F57 HydrophobicContact CB-CD1 3.9Å; P51-F57 HydrophobicContact CB-CE1 4.3Å; P51-F57 HydrophobicContact CG-CD1 4.05Å; P51-F57 HydrophobicContact CG-CE1 3.99Å
52	A	87.3	Confident	85.4	Confident	68 Å²	68	75.9 Å²	75.9	56%	0.562	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-64.4	152.7	168.3	0	0	0	0	0	110.3	Y50 K54 A55	Y50-A52 PolarHBondContact O-N 3.3Å; A52-K54 PolarHBondContact O-N 2.92Å; A52-A55 HydrophobicContact CB-CB 4.1Å; A52-A55 VanDerWaalsContact O-CB 3.29Å; A52-A55 WeakPolarHBondContact O-CB 3.4Å; A52-A55 PolarHBondContact O-N 3.47Å
53	W	87.4	Confident	85	Confident	48 Å²	48	81.3 Å²	81.3	18%	0.182	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.1	172.5	-64.9	105.7	0	0	0	110.4	F9 F12 Q23 P24 C26 A55 L71 V112	F9-W53 HydrophobicContact CB-CE3 3.84Å; F9-W53 HydrophobicContact CB-CZ3 3.71Å; F12-W53 HydrophobicContact CB-CH2 3.53Å; F12-W53 HydrophobicContact CB-CZ2 4.08Å; F12-W53 HydrophobicContact CB-CZ3 3.99Å; F12-W53 HydrophobicContact CD1-CD2 4.14Å; F12-W53 AromaticContact CD1-CE2 3.67Å; F12-W53 HydrophobicContact CD1-CE3 4.28Å; F12-W53 AromaticContact CD1-CH2 3.68Å; F12-W53 HydrophobicContact CD1-CH2 3.68Å; F12-W53 AromaticContact CD1-CZ2 3.45Å; F12-W53 HydrophobicContact CD1-CZ2 3.45Å; F12-W53 VanDerWaalsContact CD1-CZ2 3.45Å; F12-W53 HydrophobicContact CD1-CZ3 4.06Å; F12-W53 HydrophobicContact CE1-CZ2 4.19Å; F12-W53 AromaticContact CG-CH2 3.88Å; F12-W53 HydrophobicContact CG-CH2 3.88Å; F12-W53 AromaticContact CG-CZ2 3.91Å; F12-W53 HydrophobicContact CG-CZ2 3.91Å; F12-W53 HydrophobicContact CG-CZ3 4.47Å; Q23-W53 VanDerWaalsContact NE2-CD1 3.28Å; P24-W53 PolarHBondContact O-NE1 3.39Å; C26-W53 WeakPolarHBondContact SG-CH2 3.44Å; W53-A55 PolarHBondContact O-N 3.41Å; W53-L71 HydrophobicContact CH2-CD1 3.99Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; W53-V112 HydrophobicContact CH2-CG1 4.36Å; W53-V112 HydrophobicContact CH2-CG2 3.93Å; W53-V112 HydrophobicContact CZ3-CG1 3.98Å; W53-V112 HydrophobicContact CZ3-CG2 4.33Å
54	K	87.8	Confident	84.6	Confident	158 Å²	158	80.1 Å²	80.1	69%	0.687	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	-1.1	-176.2	-51.1	173	-178.4	178.2	0	115.2	F9 A52	F9-K54 PolarHBondContact O-N 3.49Å; A52-K54 PolarHBondContact O-N 2.92Å
55	A	87.5	Confident	84.8	Confident	40 Å²	40	78.4 Å²	78.4	33%	0.331	40%	0.395	S	S	.	.			trans	-80.6	144.1	169.4	0	0	0	0	0	110.3	A8 A52 W53	A8-A55 WeakPolarHBondContact CB-O 3.28Å; A52-A55 HydrophobicContact CB-CB 4.1Å; A52-A55 VanDerWaalsContact O-CB 3.29Å; A52-A55 WeakPolarHBondContact O-CB 3.4Å; A52-A55 PolarHBondContact O-N 3.47Å; W53-A55 PolarHBondContact O-N 3.41Å
56	S	88.4	Confident	85.6	Confident	74 Å²	74	71.1 Å²	71.1	52%	0.517	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	151.5	179.6	57.2	0	0	0	0	112.3	I7	I7-S56 CarbonylContact O-C 3.5Å; I7-S56 VanDerWaalsContact O-CA 3.23Å; I7-S56 WeakPolarHBondContact O-CA 3.18Å
57	F	90.5	Very high	86.3	Confident	15 Å²	15	63.8 Å²	63.8	7%	0.066	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.3	171.1	66.2	-84.1	0	0	0	110.7	I7 F9 I28 M49 P51 L67	I7-F57 HydrophobicContact CB-CD1 4.48Å; I7-F57 HydrophobicContact CB-CE1 3.93Å; I7-F57 HydrophobicContact CB-CE2 4.14Å; I7-F57 HydrophobicContact CB-CZ 3.75Å; I7-F57 HydrophobicContact CD1-CE2 4.3Å; I7-F57 HydrophobicContact CD1-CZ 4.37Å; I7-F57 HydrophobicContact CG2-CE1 3.87Å; I7-F57 HydrophobicContact CG2-CZ 3.72Å; I7-F57 PolarHBondContact N-O 3.49Å; I7-F57 VanDerWaalsContact O-CD1 3.27Å; I7-F57 WeakPolarHBondContact O-CD1 3.34Å; I7-F57 PolarHBondContact O-N 2.77Å; F9-F57 HydrophobicContact CD2-CE1 4.15Å; F9-F57 AromaticContact CE2-CE1 3.52Å; F9-F57 HydrophobicContact CE2-CE1 3.52Å; F9-F57 AromaticContact CE2-CZ 3.84Å; F9-F57 HydrophobicContact CE2-CZ 3.84Å; F9-F57 HydrophobicContact CZ-CE1 4.18Å; F9-F57 HydrophobicContact CZ-CZ 4.13Å; I28-F57 HydrophobicContact CG1-CZ 4.3Å; I28-F57 HydrophobicContact CG2-CE2 4.25Å; I28-F57 HydrophobicContact CG2-CZ 4.23Å; M49-F57 HydrophobicContact CE-CB 3.6Å; M49-F57 HydrophobicContact CE-CD2 3.61Å; M49-F57 HydrophobicContact CE-CG 3.77Å; M49-F57 HydrophobicContact SD-CD2 4.43Å; P51-F57 HydrophobicContact CB-CD1 3.9Å; P51-F57 HydrophobicContact CB-CE1 4.3Å; P51-F57 HydrophobicContact CG-CD1 4.05Å; P51-F57 HydrophobicContact CG-CE1 3.99Å; F57-L67 HydrophobicContact CE2-CD1 3.85Å; F57-L67 HydrophobicContact CZ-CD1 4.04Å
58	D	91.9	Very high	86.9	Confident	67 Å²	67	59.2 Å²	59.2	36%	0.358	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.1	-172.1	-65.3	-22.2	0	0	0	111.9	F4 L5 R6	F4-D58 HydrophobicContact CD2-CB 3.98Å; F4-D58 HydrophobicContact CE2-CB 4.32Å; L5-D58 CarbonylContact O-C 3.57Å; L5-D58 WeakPolarHBondContact O-CA 3.19Å; R6-D58 WeakPolarHBondContact CB-OD1 3.19Å; R6-D58 WeakPolarHBondContact CG-OD1 3.41Å; R6-D58 IonicContact CZ-OD1 3.95Å; R6-D58 IonicContact CZ-OD2 2.82Å; R6-D58 IonicContact NE-OD1 2.69Å; R6-D58 PolarHBondContact NE-OD1 3.25Å; R6-D58 IonicContact NE-OD2 2.97Å; R6-D58 IonicContact NH2-OD1 2.96Å; R6-D58 PolarHBondContact NH2-OD1 3.45Å; R6-D58 IonicContact NH2-OD2 2.63Å; R6-D58 PolarHBondContact NH2-OD2 3.44Å
59	A	87.9	Confident	87.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	104.6	179.1	0	0	0	0	0	110	L5 I7 M30 V86	L5-A59 PolarHBondContact N-O 2.8Å; L5-A59 PolarHBondContact O-N 3.13Å; I7-A59 HydrophobicContact CD1-CB 3.84Å; M30-A59 HydrophobicContact CE-CB 3.89Å; M30-A59 HydrophobicContact SD-CB 4.48Å; A59-V86 HydrophobicContact CB-CG1 4.37Å
60	H	87.5	Confident	87.4	Confident	74 Å²	74	54.8 Å²	54.8	34%	0.343	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.4	176.9	-65.4	81.2	0	0	0	111.3	F4 Y62 R65	F4-H60 HydrophobicContact CB-CB 4.42Å; H60-Y62 HydrophobicContact CB-CD2 4.03Å; H60-Y62 HydrophobicContact CB-CE2 3.37Å; H60-R65 WeakPolarHBondContact O-CD 3.22Å; H60-R65 PolarHBondContact O-NH1 3.03Å
61	I	84.1	Confident	87.5	Confident	31 Å²	31	48.2 Å²	48.2	16%	0.159	26%	0.257	C	S	.	.			trans	-89.4	112	-173.7	-57.4	162.6	0	0	0	108.9	P3 L5 V86 A90 Y118	P3-I61 HydrophobicContact CB-CD1 4.23Å; P3-I61 WeakPolarHBondContact O-CB 3.39Å; P3-I61 PolarHBondContact O-N 3.2Å; L5-I61 HydrophobicContact CD2-CD1 3.98Å; L5-I61 HydrophobicContact CG-CD1 3.97Å; L5-I61 HydrophobicContact CG-CG1 3.96Å; I61-V86 HydrophobicContact CG1-CG1 4.17Å; I61-A90 HydrophobicContact CD1-CB 3.58Å; I61-A90 HydrophobicContact CG1-CB 4.16Å; I61-A90 HydrophobicContact CG2-CB 4.46Å; I61-Y118 HydrophobicContact CD1-CD2 3.68Å; I61-Y118 HydrophobicContact CD1-CE2 3.39Å
62	Y	80.1	Confident	87.6	Confident	109 Å²	109	47.8 Å²	47.8	43%	0.427	25%	0.254	S	S	.	.			trans	-130.3	154.7	171.4	-58.5	-86.2	0	0	0	110	H60 G64 R65	H60-Y62 HydrophobicContact CB-CD2 4.03Å; H60-Y62 HydrophobicContact CB-CE2 3.37Å; Y62-G64 PolarHBondContact O-N 2.96Å; Y62-R65 PolarHBondContact O-N 2.66Å
63	E	73.6	Confident	87.4	Confident	197 Å²	197	49.3 Å²	49.3	92%	0.921	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	129.7	178	-161.8	178.1	177.6	0	0	110.8	R65	E63-R65 VanDerWaalsContact C-N 3.29Å; E63-R65 PolarHBondContact O-N 3.37Å
64	G	74.6	Confident	87.1	Confident	32 Å²	32	49.9 Å²	49.9	33%	0.33	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	5.3	179.6	0	0	0	0	0	116	A33 Y62	A33-G64 VanDerWaalsContact CB-O 3.31Å; A33-G64 WeakPolarHBondContact CB-O 3.14Å; A33-G64 PolarHBondContact N-O 3.46Å; A33-G64 VanDerWaalsContact N-O 3.16Å; Y62-G64 PolarHBondContact O-N 2.96Å
65	R	87.4	Confident	86.4	Confident	27 Å²	27	45.9 Å²	45.9	10%	0.102	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.6	174	-175.5	175.7	-83.8	-171.3	-0.6	111.8	M30 E32 H60 Y62 E63 V86	M30-R65 HydrophobicContact CE-CG 4.29Å; E32-R65 IonicContact OE1-CZ 2.68Å; E32-R65 IonicContact OE1-NE 2.68Å; E32-R65 IonicContact OE1-NH2 2.81Å; E32-R65 PolarHBondContact OE1-NH2 3.49Å; H60-R65 WeakPolarHBondContact O-CD 3.22Å; H60-R65 PolarHBondContact O-NH1 3.03Å; Y62-R65 PolarHBondContact O-N 2.66Å; E63-R65 VanDerWaalsContact C-N 3.29Å; E63-R65 PolarHBondContact O-N 3.37Å; R65-V86 HydrophobicContact CB-CG2 4.47Å; R65-V86 HydrophobicContact CG-CG2 3.97Å; R65-V86 PolarHBondContact O-N 3.25Å
66	V	89.9	Confident	86	Confident	22 Å²	22	52.5 Å²	52.5	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.7	179.9	-52.4	0	0	0	0	111.6	K31 L42 T83 V84	K31-V66 HydrophobicContact CB-CG2 3.78Å; K31-V66 PolarHBondContact N-O 3.21Å; K31-V66 PolarHBondContact O-N 3.14Å; L42-V66 HydrophobicContact CD1-CG2 3.81Å; L42-V66 HydrophobicContact CD2-CG1 4.31Å; L42-V66 HydrophobicContact CD2-CG2 3.76Å; L42-V66 HydrophobicContact CG-CG2 4.36Å; V66-T83 HydrophobicContact CB-CG2 3.72Å; V66-T83 HydrophobicContact CG1-CG2 4.37Å; V66-T83 HydrophobicContact CG2-CG2 3.65Å; V66-V84 CarbonylContact C-O 3.56Å; V66-V84 WeakPolarHBondContact CA-O 3.2Å
67	L	92.5	Very high	85.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.5	177.7	-176.3	104.1	0	0	0	107.5	I7 F9 I28 M30 F57 I69 T83 V84 V86	I7-L67 HydrophobicContact CD1-CD1 4.45Å; F9-L67 HydrophobicContact CZ-CD2 4.39Å; I28-L67 HydrophobicContact CG2-CD1 3.32Å; I28-L67 HydrophobicContact CG2-CG 3.82Å; M30-L67 HydrophobicContact SD-CB 4.49Å; M30-L67 HydrophobicContact SD-CD1 3.63Å; F57-L67 HydrophobicContact CE2-CD1 3.85Å; F57-L67 HydrophobicContact CZ-CD1 4.04Å; L67-I69 HydrophobicContact CD2-CD1 3.6Å; L67-I69 HydrophobicContact CD2-CG1 3.39Å; L67-I69 HydrophobicContact CG-CG1 4.09Å; L67-T83 WeakPolarHBondContact O-CA 3.3Å; L67-V84 PolarHBondContact N-O 3.22Å; L67-V84 PolarHBondContact O-N 2.91Å; L67-V86 HydrophobicContact CB-CG2 4.32Å
68	E	93.8	Very high	85.7	Confident	20 Å²	20	56.5 Å²	56.5	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.6	171.1	179.3	-179.3	-98.4	0	0	108.6	I28 K29 K31 L70 V82	I28-E68 WeakPolarHBondContact CA-O 3.49Å; K29-E68 HydrophobicContact CB-CB 4.15Å; K29-E68 WeakPolarHBondContact CD-OE2 3.27Å; K29-E68 PolarHBondContact N-O 3.45Å; K29-E68 IonicContact NZ-OE2 3.39Å; K29-E68 PolarHBondContact O-N 3.43Å; K31-E68 WeakPolarHBondContact CE-OE2 3.48Å; K31-E68 IonicContact NZ-OE1 2.63Å; K31-E68 PolarHBondContact NZ-OE1 3.45Å; K31-E68 IonicContact NZ-OE2 2.85Å; K31-E68 PolarHBondContact NZ-OE2 3.37Å; E68-L70 HydrophobicContact CG-CD1 4.02Å; E68-V82 CarbonylContact C-O 3.48Å; E68-V82 WeakPolarHBondContact CA-O 3.29Å
69	I	94.3	Very high	85.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.9	-178.8	-51	171.8	0	0	0	107.6	F9 I28 L67 E81 V82 V84 L106 M114	F9-I69 HydrophobicContact CE1-CD1 3.78Å; F9-I69 HydrophobicContact CE1-CG1 4.48Å; F9-I69 HydrophobicContact CE1-CG2 4.49Å; F9-I69 HydrophobicContact CZ-CD1 3.88Å; F9-I69 HydrophobicContact CZ-CG1 4.11Å; F9-I69 HydrophobicContact CZ-CG2 4.28Å; I28-I69 HydrophobicContact CD1-CB 4.07Å; I28-I69 HydrophobicContact CD1-CG1 3.99Å; I28-I69 HydrophobicContact CD1-CG2 3.78Å; L67-I69 HydrophobicContact CD2-CD1 3.6Å; L67-I69 HydrophobicContact CD2-CG1 3.39Å; L67-I69 HydrophobicContact CG-CG1 4.09Å; I69-E81 CarbonylContact O-C 3.41Å; I69-E81 WeakPolarHBondContact O-CA 3.2Å; I69-V82 HydrophobicContact CB-CG1 3.9Å; I69-V82 HydrophobicContact CD1-CG1 4.05Å; I69-V82 HydrophobicContact CG1-CG1 4.28Å; I69-V82 PolarHBondContact N-O 3.39Å; I69-V82 PolarHBondContact O-N 3.29Å; I69-V84 HydrophobicContact CD1-CG2 4.48Å; I69-L106 HydrophobicContact CG2-CD2 4.36Å; I69-M114 HydrophobicContact CD1-SD 4.36Å
70	L	92.6	Very high	85.6	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	174	-55.4	95.9	0	0	0	109.7	C26 A27 K29 E68 M72 P78 A80 E81	C26-L70 CarbonylContact C-O 3.49Å; C26-L70 WeakPolarHBondContact CA-O 3.41Å; A27-L70 HydrophobicContact CB-CB 4.36Å; A27-L70 PolarHBondContact N-O 3.29Å; A27-L70 WeakPolarHBondContact O-CD1 3.04Å; A27-L70 PolarHBondContact O-N 2.88Å; K29-L70 HydrophobicContact CD-CD1 3.9Å; K29-L70 HydrophobicContact CG-CD1 4.16Å; E68-L70 HydrophobicContact CG-CD1 4.02Å; L70-M72 HydrophobicContact CB-CG 4.35Å; L70-M72 HydrophobicContact CB-SD 3.7Å; L70-M72 HydrophobicContact CD2-SD 4.37Å; L70-P78 HydrophobicContact CD2-CB 4.19Å; L70-A80 CarbonylContact C-O 3.39Å; L70-A80 WeakPolarHBondContact CA-O 3.37Å; L70-E81 HydrophobicContact CD2-CB 4.33Å; L70-E81 HydrophobicContact CG-CB 4.03Å
71	L	91.4	Very high	85.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116	168	-171.4	67	0	0	0	108.1	P24 W53 L79 A80 L106 V112	P24-L71 HydrophobicContact CB-CD1 3.91Å; P24-L71 HydrophobicContact CB-CG 4.18Å; P24-L71 HydrophobicContact CG-CD1 4.18Å; W53-L71 HydrophobicContact CH2-CD1 3.99Å; W53-L71 HydrophobicContact CZ2-CD1 3.91Å; L71-L79 WeakPolarHBondContact O-CB 3.26Å; L71-L79 PolarHBondContact O-N 3.27Å; L71-A80 PolarHBondContact N-O 3.07Å; L71-A80 PolarHBondContact O-N 3.05Å; L71-L106 HydrophobicContact CB-CD1 3.94Å; L71-L106 HydrophobicContact CD2-CD1 4.11Å; L71-V112 HydrophobicContact CD1-CG2 4.34Å
72	M	88.8	Confident	86.4	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139	-170.7	-55.4	-64.6	-65.2	0	0	111	P24 F25 A27 L70 T74 P78	P24-M72 WeakPolarHBondContact CA-O 3.25Å; P24-M72 WeakPolarHBondContact CB-O 3.49Å; F25-M72 HydrophobicContact CD1-CB 4.33Å; F25-M72 HydrophobicContact CD2-CB 4.12Å; F25-M72 HydrophobicContact CE1-CB 3.94Å; F25-M72 HydrophobicContact CE2-CB 3.71Å; F25-M72 HydrophobicContact CE2-CG 4.05Å; F25-M72 HydrophobicContact CG-CB 4.41Å; F25-M72 HydrophobicContact CZ-CB 3.62Å; F25-M72 HydrophobicContact CZ-CG 4.34Å; F25-M72 PolarHBondContact N-O 2.92Å; F25-M72 VanDerWaalsContact N-O 3.07Å; F25-M72 WeakPolarHBondContact O-CB 3.36Å; F25-M72 PolarHBondContact O-N 3.19Å; A27-M72 HydrophobicContact CB-CG 3.72Å; A27-M72 HydrophobicContact CB-SD 4.33Å; L70-M72 HydrophobicContact CB-CG 4.35Å; L70-M72 HydrophobicContact CB-SD 3.7Å; L70-M72 HydrophobicContact CD2-SD 4.37Å; M72-T74 WeakPolarHBondContact CE-O 3.44Å; M72-P78 HydrophobicContact CE-CB 4.09Å; M72-P78 VanDerWaalsContact SD-CA 3.53Å; M72-P78 HydrophobicContact SD-CB 3.62Å
73	K	83.5	Confident	87.1	Confident	99 Å²	99	53.7 Å²	53.7	43%	0.43	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-46.5	169.7	170.8	167.2	-179.6	-155.5	0	111.5	L20 E77 L79	L20-K73 HydrophobicContact CD2-CB 3.75Å; L20-K73 HydrophobicContact CD2-CD 3.38Å; L20-K73 HydrophobicContact CD2-CG 3.24Å; K73-E77 HydrophobicContact CB-CB 4.27Å; K73-E77 WeakPolarHBondContact CD-OE2 3.5Å; K73-E77 PolarHBondContact N-O 3.13Å; K73-E77 IonicContact NZ-OE2 3.46Å; K73-L79 HydrophobicContact CB-CD1 3.9Å; K73-L79 HydrophobicContact CB-CD2 3.9Å; K73-L79 HydrophobicContact CB-CG 3.78Å; K73-L79 HydrophobicContact CD-CD2 4.3Å
74	T	81.3	Confident	87.9	Confident	61 Å²	61	45.5 Å²	45.5	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	175.1	172.9	66.2	0	0	0	0	108.9	M72 E76 E77	M72-T74 WeakPolarHBondContact CE-O 3.44Å; T74-E76 PolarHBondContact O-N 3.13Å; T74-E77 PolarHBondContact O-N 3.43Å; T74-E77 WeakPolarHBondContact OG1-CB 3.38Å; T74-E77 WeakPolarHBondContact OG1-CG 3.32Å; T74-E77 PolarHBondContact OG1-N 3.09Å
75	A	73.4	Confident	88.6	Confident	74 Å²	74	44.9 Å²	44.9	61%	0.612	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21	-179.9	0	0	0	0	0	114.1
76	E	79.3	Confident	88.7	Confident	178 Å²	178	43.6 Å²	43.6	83%	0.832	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-9.4	-175.7	-62.9	177	-174.4	0	0	113.3	T74 P78	T74-E76 PolarHBondContact O-N 3.13Å; E76-P78 WeakPolarHBondContact O-CD 3.34Å
77	E	84.1	Confident	88.5	Confident	96 Å²	96	45.2 Å²	45.2	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	95.7	-175.2	-68	-178.4	174.4	0	0	112.3	K73 T74	K73-E77 HydrophobicContact CB-CB 4.27Å; K73-E77 WeakPolarHBondContact CD-OE2 3.5Å; K73-E77 PolarHBondContact N-O 3.13Å; K73-E77 IonicContact NZ-OE2 3.46Å; T74-E77 PolarHBondContact O-N 3.43Å; T74-E77 WeakPolarHBondContact OG1-CB 3.38Å; T74-E77 WeakPolarHBondContact OG1-CG 3.32Å; T74-E77 PolarHBondContact OG1-N 3.09Å
78	P	87.9	Confident	88.3	Confident	77 Å²	77	49.7 Å²	49.7	50%	0.5	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.4	169.2	29.7	-32	0	0	0	110.8	L70 M72 E76	L70-P78 HydrophobicContact CD2-CB 4.19Å; M72-P78 HydrophobicContact CE-CB 4.09Å; M72-P78 VanDerWaalsContact SD-CA 3.53Å; M72-P78 HydrophobicContact SD-CB 3.62Å; E76-P78 WeakPolarHBondContact O-CD 3.34Å
79	L	87.9	Confident	88.1	Confident	31 Å²	31	49 Å²	49	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-43.7	176.8	-67.4	172.2	0	0	0	112.1	L17 L20 P24 L71 K73 P108	L17-L79 HydrophobicContact CD1-CB 4.04Å; L20-L79 HydrophobicContact CD1-CD1 3.79Å; L20-L79 HydrophobicContact CD2-CD1 4.3Å; P24-L79 HydrophobicContact CB-CD1 4.44Å; L71-L79 WeakPolarHBondContact O-CB 3.26Å; L71-L79 PolarHBondContact O-N 3.27Å; K73-L79 HydrophobicContact CB-CD1 3.9Å; K73-L79 HydrophobicContact CB-CD2 3.9Å; K73-L79 HydrophobicContact CB-CG 3.78Å; K73-L79 HydrophobicContact CD-CD2 4.3Å; L79-P108 WeakPolarHBondContact O-CD 3.44Å
80	A	90.3	Very high	87.7	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	152.2	-179.3	0	0	0	0	0	110.7	L17 L70 L71 L106 H107 S109	L17-A80 HydrophobicContact CD1-CB 4.46Å; L70-A80 CarbonylContact C-O 3.39Å; L70-A80 WeakPolarHBondContact CA-O 3.37Å; L71-A80 PolarHBondContact N-O 3.07Å; L71-A80 PolarHBondContact O-N 3.05Å; A80-L106 HydrophobicContact CB-CB 3.58Å; A80-H107 CarbonylContact C-O 3.6Å; A80-H107 WeakPolarHBondContact CA-O 3.3Å; A80-H107 WeakPolarHBondContact CB-O 3.39Å; A80-S109 WeakPolarHBondContact CB-O 3.45Å
81	E	93.8	Very high	87.3	Confident	91 Å²	91	53 Å²	53	43%	0.425	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.8	-177.7	67.9	180	-179.2	0	0	113.3	I69 L70 H107	I69-E81 CarbonylContact O-C 3.41Å; I69-E81 WeakPolarHBondContact O-CA 3.2Å; L70-E81 HydrophobicContact CD2-CB 4.33Å; L70-E81 HydrophobicContact CG-CB 4.03Å; E81-H107 PolarHBondContact N-O 3.19Å; E81-H107 PolarHBondContact O-N 3.31Å
82	V	94.5	Very high	86.9	Confident	33 Å²	33	59.1 Å²	59.1	20%	0.2	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.8	172.4	65.6	0	0	0	0	110	E68 I69 V84 V104 D105 L106	E68-V82 CarbonylContact C-O 3.48Å; E68-V82 WeakPolarHBondContact CA-O 3.29Å; I69-V82 HydrophobicContact CB-CG1 3.9Å; I69-V82 HydrophobicContact CD1-CG1 4.05Å; I69-V82 HydrophobicContact CG1-CG1 4.28Å; I69-V82 PolarHBondContact N-O 3.39Å; I69-V82 PolarHBondContact O-N 3.29Å; V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 HydrophobicContact CG2-CG2 4.06Å; V82-V104 HydrophobicContact CG1-CG1 3.72Å; V82-V104 HydrophobicContact CG2-CG1 4.28Å; V82-D105 WeakPolarHBondContact CG2-O 3.14Å; V82-L106 HydrophobicContact CB-CD2 4.08Å; V82-L106 HydrophobicContact CG1-CD2 3.59Å; V82-L106 HydrophobicContact CG1-CG 4.38Å
83	T	93.6	Very high	86.6	Confident	66 Å²	66	58.5 Å²	58.5	41%	0.405	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.4	171.9	-64.3	0	0	0	0	110.2	V66 L67	V66-T83 HydrophobicContact CB-CG2 3.72Å; V66-T83 HydrophobicContact CG1-CG2 4.37Å; V66-T83 HydrophobicContact CG2-CG2 3.65Å; L67-T83 WeakPolarHBondContact O-CA 3.3Å
84	V	91.3	Very high	86.2	Confident	25 Å²	25	58.9 Å²	58.9	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.2	-176.7	-167.7	0	0	0	0	110.7	V66 L67 I69 V82 L89 V104	V66-V84 CarbonylContact C-O 3.56Å; V66-V84 WeakPolarHBondContact CA-O 3.2Å; L67-V84 PolarHBondContact N-O 3.22Å; L67-V84 PolarHBondContact O-N 2.91Å; I69-V84 HydrophobicContact CD1-CG2 4.48Å; V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 HydrophobicContact CG2-CG2 4.06Å; V84-L89 HydrophobicContact CG1-CD1 4.15Å; V84-L89 HydrophobicContact CG1-CD2 3.7Å; V84-L89 HydrophobicContact CG1-CG 3.83Å; V84-V104 HydrophobicContact CG2-CG1 4.12Å
85	G	90.1	Very high	85.8	Confident	18 Å²	18	63.8 Å²	63.8	19%	0.186	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.5	176.3	0	0	0	0	0	112.5	S87 V88 L89	G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3.37Å; G85-V88 WeakPolarHBondContact O-CB 3.43Å; G85-V88 PolarHBondContact O-N 3.19Å; G85-V88 VanDerWaalsContact O-N 3.13Å; G85-L89 PolarHBondContact O-N 3.45Å; G85-L89 VanDerWaalsContact O-N 3.16Å
86	V	89.1	Confident	85.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-34.2	-178.8	-179.6	0	0	0	0	111.2	L5 A59 I61 R65 L67 V88 L89 A90	L5-V86 HydrophobicContact CD1-CG1 3.88Å; L5-V86 WeakPolarHBondContact CD1-O 3.38Å; A59-V86 HydrophobicContact CB-CG1 4.37Å; I61-V86 HydrophobicContact CG1-CG1 4.17Å; R65-V86 HydrophobicContact CB-CG2 4.47Å; R65-V86 HydrophobicContact CG-CG2 3.97Å; R65-V86 PolarHBondContact O-N 3.25Å; L67-V86 HydrophobicContact CB-CG2 4.32Å; V86-V88 VanDerWaalsContact C-N 3.34Å; V86-V88 PolarHBondContact O-N 3.04Å; V86-L89 WeakPolarHBondContact O-CB 3.36Å; V86-L89 PolarHBondContact O-N 3.38Å; V86-A90 PolarHBondContact O-N 2.96Å
87	S	85.8	Confident	85.3	Confident	57 Å²	57	62 Å²	62	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-35.9	173.7	54.7	0	0	0	0	113.1	G85 A90 E91	G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact O-N 3.05Å; S87-E91 PolarHBondContact O-N 3.23Å
88	V	87.5	Confident	84.9	Confident	94 Å²	94	58.4 Å²	58.4	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-68	-39	176.9	-177.2	0	0	0	0	110.6	G85 V86 E91 R92	G85-V88 WeakPolarHBondContact O-CB 3.43Å; G85-V88 PolarHBondContact O-N 3.19Å; G85-V88 VanDerWaalsContact O-N 3.13Å; V86-V88 VanDerWaalsContact C-N 3.34Å; V86-V88 PolarHBondContact O-N 3.04Å; V88-E91 PolarHBondContact O-N 3.41Å; V88-R92 WeakPolarHBondContact O-CB 3.36Å; V88-R92 PolarHBondContact O-N 2.83Å
89	L	89	Confident	84.8	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-42.2	173.9	-63.9	-179.2	0	0	0	111.9	L5 I7 V84 G85 V86 R92 C93 F102 M114	L5-L89 HydrophobicContact CD1-CB 3.6Å; I7-L89 HydrophobicContact CD1-CD1 4.26Å; V84-L89 HydrophobicContact CG1-CD1 4.15Å; V84-L89 HydrophobicContact CG1-CD2 3.7Å; V84-L89 HydrophobicContact CG1-CG 3.83Å; G85-L89 PolarHBondContact O-N 3.45Å; G85-L89 VanDerWaalsContact O-N 3.16Å; V86-L89 WeakPolarHBondContact O-CB 3.36Å; V86-L89 PolarHBondContact O-N 3.38Å; L89-R92 PolarHBondContact O-N 3.27Å; L89-C93 PolarHBondContact O-N 3.47Å; L89-C93 PolarHBondContact O-SG 3.5Å; L89-F102 HydrophobicContact CD2-CE2 4.28Å; L89-F102 HydrophobicContact CD2-CZ 3.68Å; L89-M114 HydrophobicContact CD1-CE 4Å; L89-M114 HydrophobicContact CD1-SD 4.34Å; L89-M114 HydrophobicContact CD2-CE 3.36Å; L89-M114 HydrophobicContact CG-CE 4.34Å
90	A	86	Confident	84.8	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-44.1	176.9	0	0	0	0	0	112.2	L5 I61 V86 S87 R92 C93 K94 Y118	L5-A90 HydrophobicContact CD1-CB 4.16Å; L5-A90 HydrophobicContact CD2-CB 3.97Å; L5-A90 HydrophobicContact CG-CB 4.38Å; I61-A90 HydrophobicContact CD1-CB 3.58Å; I61-A90 HydrophobicContact CG1-CB 4.16Å; I61-A90 HydrophobicContact CG2-CB 4.46Å; V86-A90 PolarHBondContact O-N 2.96Å; S87-A90 PolarHBondContact O-N 3.05Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 3.26Å; A90-C93 PolarHBondContact O-N 3.04Å; A90-C93 VanDerWaalsContact O-N 3.16Å; A90-K94 WeakPolarHBondContact O-CG 3.31Å; A90-K94 PolarHBondContact O-N 3.37Å; A90-Y118 HydrophobicContact CB-CD2 4.1Å; A90-Y118 HydrophobicContact CB-CE2 4.28Å
91	E	84.2	Confident	84.9	Confident	89 Å²	89	66.5 Å²	66.5	42%	0.416	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-39.6	177.7	-171.6	56	-150.4	0	0	112	S87 V88 C93 K94 K95	S87-E91 PolarHBondContact O-N 3.23Å; V88-E91 PolarHBondContact O-N 3.41Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 2.9Å; E91-K94 PolarHBondContact O-N 3.38Å; E91-K95 WeakPolarHBondContact O-CG 3.44Å; E91-K95 PolarHBondContact O-N 2.93Å; E91-K95 VanDerWaalsContact OE1-CE 3.23Å; E91-K95 WeakPolarHBondContact OE1-CE 3.26Å; E91-K95 IonicContact OE1-NZ 3.5Å
92	R	83.8	Confident	84.9	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-34.6	174.9	-167.6	169.8	-179.3	170.1	1.2	112.4	V88 L89 A90 F102	V88-R92 WeakPolarHBondContact O-CB 3.36Å; V88-R92 PolarHBondContact O-N 2.83Å; L89-R92 PolarHBondContact O-N 3.27Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 3.26Å; R92-F102 HydrophobicContact CG-CE1 4.26Å; R92-F102 VanDerWaalsContact CZ-CG 3.4Å; R92-F102 VanDerWaalsContact NH1-CD2 3.26Å
93	C	82.4	Confident	84.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-73.3	-39.4	175.3	-65.3	0	0	0	0	112.7	L89 A90 E91 K95 A96 G98 V116	L89-C93 PolarHBondContact O-N 3.47Å; L89-C93 PolarHBondContact O-SG 3.5Å; A90-C93 PolarHBondContact O-N 3.04Å; A90-C93 VanDerWaalsContact O-N 3.16Å; E91-C93 VanDerWaalsContact C-N 3.31Å; E91-C93 PolarHBondContact O-N 2.9Å; C93-K95 VanDerWaalsContact C-N 3.28Å; C93-K95 PolarHBondContact O-N 2.66Å; C93-A96 CarbonylContact O-C 3.56Å; C93-A96 PolarHBondContact O-N 2.77Å; C93-G98 WeakPolarHBondContact O-CA 3.31Å; C93-G98 PolarHBondContact O-N 3.32Å; C93-V116 VanDerWaalsContact SG-CB 3.51Å; C93-V116 WeakPolarHBondContact SG-CG1 3.34Å
94	K	76	Confident	84.8	Confident	107 Å²	107	64.3 Å²	64.3	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-39.8	176.4	-74.4	178.2	-179.7	-178.7	0	111.8	A90 E91 A96 Y118	A90-K94 WeakPolarHBondContact O-CG 3.31Å; A90-K94 PolarHBondContact O-N 3.37Å; E91-K94 PolarHBondContact O-N 3.38Å; K94-A96 PolarHBondContact O-N 2.82Å; K94-Y118 VanDerWaalsContact CE-OH 3.26Å; K94-Y118 WeakPolarHBondContact CE-OH 3.37Å; K94-Y118 HydrophobicContact CG-CD1 4.35Å; K94-Y118 HydrophobicContact CG-CE1 4.26Å
95	K	71.9	Confident	84.9	Confident	164 Å²	164	67.6 Å²	67.6	71%	0.713	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.8	175.7	-68.2	177.6	-177.6	177.4	0	114.2	E91 C93	E91-K95 WeakPolarHBondContact O-CG 3.44Å; E91-K95 PolarHBondContact O-N 2.93Å; E91-K95 VanDerWaalsContact OE1-CE 3.23Å; E91-K95 WeakPolarHBondContact OE1-CE 3.26Å; E91-K95 IonicContact OE1-NZ 3.5Å; C93-K95 VanDerWaalsContact C-N 3.28Å; C93-K95 PolarHBondContact O-N 2.66Å
96	A	70.6	Confident	85	Confident	45 Å²	45	67.3 Å²	67.3	37%	0.372	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	35.7	-176.6	0	0	0	0	0	112.5	C93 K94 G98 R99 A100	C93-A96 CarbonylContact O-C 3.56Å; C93-A96 PolarHBondContact O-N 2.77Å; K94-A96 PolarHBondContact O-N 2.82Å; A96-G98 VanDerWaalsContact C-N 3.27Å; A96-G98 PolarHBondContact O-N 2.79Å; A96-R99 WeakPolarHBondContact CB-O 3.37Å; A96-R99 PolarHBondContact O-N 3.38Å; A96-A100 HydrophobicContact CB-CB 4.15Å
97	N	72.4	Confident	85	Confident	170 Å²	170	74.2 Å²	74.2	91%	0.909	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	33.4	-179.1	-67.8	-8.5	0	0	0	114.7
98	G	75.4	Confident	85	Confident	19 Å²	19	75.7 Å²	75.7	20%	0.196	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-2.6	173.8	0	0	0	0	0	115.3	C93 A96 Q117 Y118	C93-G98 WeakPolarHBondContact O-CA 3.31Å; C93-G98 PolarHBondContact O-N 3.32Å; A96-G98 VanDerWaalsContact C-N 3.27Å; A96-G98 PolarHBondContact O-N 2.79Å; G98-Q117 CarbonylContact O-C 3.58Å; G98-Q117 WeakPolarHBondContact O-CA 3.24Å; G98-Q117 WeakPolarHBondContact O-CG 3.04Å; G98-Y118 PolarHBondContact O-N 3.37Å
99	R	85.9	Confident	84.9	Confident	161 Å²	161	72.6 Å²	72.6	61%	0.608	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	132.8	173.2	-173.6	177.3	175.7	-179.9	-1.4	111.1	A96 V116 Q117	A96-R99 WeakPolarHBondContact CB-O 3.37Å; A96-R99 PolarHBondContact O-N 3.38Å; R99-V116 CarbonylContact C-O 3.48Å; R99-V116 WeakPolarHBondContact CA-O 3.19Å; R99-Q117 HydrophobicContact CB-CG 4.4Å; R99-Q117 HydrophobicContact CG-CB 4.42Å
100	A	88.2	Confident	84.8	Confident	11 Å²	11	72.8 Å²	72.8	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.8	177.4	0	0	0	0	0	110.9	A96 F102 A115 V116	A96-A100 HydrophobicContact CB-CB 4.15Å; A100-F102 HydrophobicContact CB-CD1 4.08Å; A100-F102 HydrophobicContact CB-CE1 4Å; A100-A115 CarbonylContact O-C 3.58Å; A100-A115 WeakPolarHBondContact O-CA 3.25Å; A100-V116 PolarHBondContact N-O 3.32Å; A100-V116 PolarHBondContact O-N 2.8Å
101	E	92	Very high	85.1	Confident	109 Å²	109	76.7 Å²	76.7	51%	0.509	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.4	171.5	-176.6	172.3	-126.9	0	0	109.1	N10 M113 M114 A115	N10-E101 PolarHBondContact ND2-OE1 2.99Å; E101-M113 HydrophobicContact CG-CG 3.95Å; E101-M113 HydrophobicContact CG-SD 3.81Å; E101-M114 WeakPolarHBondContact CA-O 3.49Å; E101-A115 HydrophobicContact CB-CB 4.41Å; E101-A115 HydrophobicContact CG-CB 4.27Å
102	F	92.9	Very high	85.5	Confident	22 Å²	22	72.5 Å²	72.5	10%	0.096	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	157.2	-177.1	53.3	-88.5	0	0	0	112.4	L89 R92 A100 V104 M114	L89-F102 HydrophobicContact CD2-CE2 4.28Å; L89-F102 HydrophobicContact CD2-CZ 3.68Å; R92-F102 HydrophobicContact CG-CE1 4.26Å; R92-F102 VanDerWaalsContact CZ-CG 3.4Å; R92-F102 VanDerWaalsContact NH1-CD2 3.26Å; A100-F102 HydrophobicContact CB-CD1 4.08Å; A100-F102 HydrophobicContact CB-CE1 4Å; F102-V104 HydrophobicContact CD2-CG2 4.05Å; F102-V104 HydrophobicContact CE2-CG2 3.83Å; F102-M114 HydrophobicContact CE1-CE 4.47Å; F102-M114 HydrophobicContact CE2-CE 3.51Å; F102-M114 HydrophobicContact CZ-CE 3.47Å; F102-M114 VanDerWaalsContact CZ-CE 3.47Å; F102-M114 PolarHBondContact N-O 3.14Å; F102-M114 PolarHBondContact O-N 3.36Å
103	W	93.4	Very high	85.9	Confident	108 Å²	108	68 Å²	68	41%	0.409	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.3	171.7	-69.3	104.1	0	0	0	111.4	D13 K111 V112 M113	D13-W103 HydrophobicContact CB-CZ3 4.4Å; W103-K111 HydrophobicContact CB-CD 4.46Å; W103-K111 HydrophobicContact CD2-CB 4.43Å; W103-K111 HydrophobicContact CE3-CB 3.66Å; W103-K111 HydrophobicContact CZ3-CB 4.23Å; W103-V112 VanDerWaalsContact CE3-C 3.43Å; W103-M113 HydrophobicContact CD2-CB 4.13Å; W103-M113 HydrophobicContact CD2-CE 3.98Å; W103-M113 HydrophobicContact CD2-SD 4Å; W103-M113 HydrophobicContact CE3-CB 3.87Å; W103-M113 VanDerWaalsContact CE3-N 3.26Å; W103-M113 HydrophobicContact CG-CE 4.24Å; W103-M113 HydrophobicContact CG-SD 4.05Å; W103-M113 HydrophobicContact CH2-CB 3.96Å; W103-M113 HydrophobicContact CZ2-CB 4.2Å; W103-M113 HydrophobicContact CZ2-CE 3.63Å; W103-M113 HydrophobicContact CZ3-CB 3.79Å; W103-M113 VanDerWaalsContact CZ3-N 3.34Å
104	V	93.7	Very high	86.5	Confident	14 Å²	14	68 Å²	68	9%	0.085	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.7	170.8	-171.9	0	0	0	0	107.9	V82 V84 F102 K111 V112 M114	V82-V104 HydrophobicContact CG1-CG1 3.72Å; V82-V104 HydrophobicContact CG2-CG1 4.28Å; V84-V104 HydrophobicContact CG2-CG1 4.12Å; F102-V104 HydrophobicContact CD2-CG2 4.05Å; F102-V104 HydrophobicContact CE2-CG2 3.83Å; V104-K111 CarbonylContact O-C 3.55Å; V104-K111 VanDerWaalsContact O-CA 3.24Å; V104-K111 WeakPolarHBondContact O-CA 3.24Å; V104-V112 PolarHBondContact N-O 3.39Å; V104-V112 PolarHBondContact O-N 2.94Å; V104-M114 HydrophobicContact CG2-CB 3.9Å; V104-M114 HydrophobicContact CG2-CE 3.57Å; V104-M114 HydrophobicContact CG2-SD 4.36Å
105	D	93	Very high	87.3	Confident	94 Å²	94	63.4 Å²	63.4	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.1	177	-61.8	-64.9	0	0	0	111	V82 K111	V82-D105 WeakPolarHBondContact CG2-O 3.14Å; D105-K111 WeakPolarHBondContact OD1-CD 3.4Å; D105-K111 WeakPolarHBondContact OD1-CE 3.37Å; D105-K111 VanDerWaalsContact OD1-CG 3.27Å; D105-K111 WeakPolarHBondContact OD1-CG 3.26Å; D105-K111 IonicContact OD1-NZ 3.44Å; D105-K111 PolarHBondContact OD1-NZ 3.24Å
106	L	92.3	Very high	88.3	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.068	29%	0.286	C	S	.	.			trans	-108.9	150.2	177.3	-65.1	151.6	0	0	0	110.2	I69 L71 A80 V82 S109 G110 V112	I69-L106 HydrophobicContact CG2-CD2 4.36Å; L71-L106 HydrophobicContact CB-CD1 3.94Å; L71-L106 HydrophobicContact CD2-CD1 4.11Å; A80-L106 HydrophobicContact CB-CB 3.58Å; V82-L106 HydrophobicContact CB-CD2 4.08Å; V82-L106 HydrophobicContact CG1-CD2 3.59Å; V82-L106 HydrophobicContact CG1-CG 4.38Å; L106-S109 CarbonylContact O-C 3.55Å; L106-G110 PolarHBondContact N-O 3.09Å; L106-V112 HydrophobicContact CD1-CB 4.28Å; L106-V112 HydrophobicContact CD1-CG2 3.56Å
107	H	89.6	Confident	89.3	Confident	144 Å²	144	57 Å²	57	67%	0.667	29%	0.285	S	S	*	.	B	Isolated β-bridge	trans	-105.8	135.1	175.7	-175.8	79.4	0	0	0	110.7	A80 E81	A80-H107 CarbonylContact C-O 3.6Å; A80-H107 WeakPolarHBondContact CA-O 3.3Å; A80-H107 WeakPolarHBondContact CB-O 3.39Å; E81-H107 PolarHBondContact N-O 3.19Å; E81-H107 PolarHBondContact O-N 3.31Å
108	P	85.9	Confident	90	Very high	89 Å²	89	50.5 Å²	50.5	58%	0.578	25%	0.248	S	C	*	.	S	Bend	cis	-84.1	-18.5	9.1	32.2	-35.2	0	0	0	115.6	L79	L79-P108 WeakPolarHBondContact O-CD 3.44Å
109	S	83.9	Confident	90.4	Very high	28 Å²	28	52.5 Å²	52.5	20%	0.196	25%	0.251	C	S	.	.	S	Bend	trans	-157.5	156.1	177	-166.6	0	0	0	0	110.8	I16 L17 A80 L106	I16-S109 PolarHBondContact N-OG 3.12Å; L17-S109 WeakPolarHBondContact CD1-O 3.37Å; A80-S109 WeakPolarHBondContact CB-O 3.45Å; L106-S109 CarbonylContact O-C 3.55Å
110	G	86.9	Confident	89.6	Confident	8 Å²	8	50.8 Å²	50.8	8%	0.082	25%	0.254	C	S	.	.			trans	108	164.5	178.4	0	0	0	0	0	113.7	D13 L106	D13-G110 CarbonylContact O-C 3.57Å; D13-G110 WeakPolarHBondContact O-CA 3.34Å; L106-G110 PolarHBondContact N-O 3.09Å
111	K	91.9	Very high	88.5	Confident	86 Å²	86	55.7 Å²	55.7	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.6	179.5	-50.3	-171	-175	-135.4	0	110.4	F12 D13 W103 V104 D105	F12-K111 CarbonylContact C-O 3.57Å; F12-K111 VanDerWaalsContact CA-O 3.27Å; F12-K111 WeakPolarHBondContact CA-O 3.49Å; D13-K111 HydrophobicContact CB-CB 4.44Å; D13-K111 PolarHBondContact N-O 3.29Å; D13-K111 PolarHBondContact O-N 3.49Å; W103-K111 HydrophobicContact CB-CD 4.46Å; W103-K111 HydrophobicContact CD2-CB 4.43Å; W103-K111 HydrophobicContact CE3-CB 3.66Å; W103-K111 HydrophobicContact CZ3-CB 4.23Å; V104-K111 CarbonylContact O-C 3.55Å; V104-K111 VanDerWaalsContact O-CA 3.24Å; V104-K111 WeakPolarHBondContact O-CA 3.24Å; D105-K111 WeakPolarHBondContact OD1-CD 3.4Å; D105-K111 WeakPolarHBondContact OD1-CE 3.37Å; D105-K111 VanDerWaalsContact OD1-CG 3.27Å; D105-K111 WeakPolarHBondContact OD1-CG 3.26Å; D105-K111 IonicContact OD1-NZ 3.44Å; D105-K111 PolarHBondContact OD1-NZ 3.24Å
112	V	92.9	Very high	85.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.4	173.4	166.4	0	0	0	0	110.1	F9 F12 W53 L71 W103 V104 L106 M114	F9-V112 HydrophobicContact CB-CG1 3.91Å; F9-V112 HydrophobicContact CD1-CG1 3.37Å; F9-V112 HydrophobicContact CE1-CG1 4.15Å; F9-V112 HydrophobicContact CG-CG1 3.89Å; F12-V112 HydrophobicContact CB-CG2 4.01Å; W53-V112 HydrophobicContact CH2-CG1 4.36Å; W53-V112 HydrophobicContact CH2-CG2 3.93Å; W53-V112 HydrophobicContact CZ3-CG1 3.98Å; W53-V112 HydrophobicContact CZ3-CG2 4.33Å; L71-V112 HydrophobicContact CD1-CG2 4.34Å; W103-V112 VanDerWaalsContact CE3-C 3.43Å; V104-V112 PolarHBondContact N-O 3.39Å; V104-V112 PolarHBondContact O-N 2.94Å; L106-V112 HydrophobicContact CD1-CB 4.28Å; L106-V112 HydrophobicContact CD1-CG2 3.56Å; V112-M114 PolarHBondContact O-N 3.44Å
113	M	93.6	Very high	82.9	Confident	36 Å²	36	63 Å²	63	18%	0.177	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.7	175	-174.8	71.5	91.7	0	0	108.7	F9 N10 S11 E101 W103	F9-M113 CarbonylContact C-O 3.44Å; F9-M113 WeakPolarHBondContact CA-O 3.33Å; N10-M113 HydrophobicContact CB-CG 4.37Å; N10-M113 PolarHBondContact N-O 3.21Å; S11-M113 PolarHBondContact O-N 3.47Å; E101-M113 HydrophobicContact CG-CG 3.95Å; E101-M113 HydrophobicContact CG-SD 3.81Å; W103-M113 HydrophobicContact CD2-CB 4.13Å; W103-M113 HydrophobicContact CD2-CE 3.98Å; W103-M113 HydrophobicContact CD2-SD 4Å; W103-M113 HydrophobicContact CE3-CB 3.87Å; W103-M113 VanDerWaalsContact CE3-N 3.26Å; W103-M113 HydrophobicContact CG-CE 4.24Å; W103-M113 HydrophobicContact CG-SD 4.05Å; W103-M113 HydrophobicContact CH2-CB 3.96Å; W103-M113 HydrophobicContact CZ2-CB 4.2Å; W103-M113 HydrophobicContact CZ2-CE 3.63Å; W103-M113 HydrophobicContact CZ3-CB 3.79Å; W103-M113 VanDerWaalsContact CZ3-N 3.34Å
114	M	94.3	Very high	80.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.8	-178.9	-173.9	173.2	60.1	0	0	110.2	I7 A8 F9 I69 L89 E101 F102 V104 V112 V116	I7-M114 HydrophobicContact CG2-CG 3.74Å; I7-M114 HydrophobicContact CG2-SD 3.79Å; A8-M114 WeakPolarHBondContact O-CA 3.18Å; F9-M114 HydrophobicContact CD1-CB 3.99Å; F9-M114 HydrophobicContact CD1-CG 3.95Å; F9-M114 HydrophobicContact CE1-CB 4.03Å; F9-M114 HydrophobicContact CE1-CG 3.68Å; F9-M114 HydrophobicContact CE1-SD 3.67Å; F9-M114 HydrophobicContact CZ-SD 4.36Å; I69-M114 HydrophobicContact CD1-SD 4.36Å; L89-M114 HydrophobicContact CD1-CE 4Å; L89-M114 HydrophobicContact CD1-SD 4.34Å; L89-M114 HydrophobicContact CD2-CE 3.36Å; L89-M114 HydrophobicContact CG-CE 4.34Å; E101-M114 WeakPolarHBondContact CA-O 3.49Å; F102-M114 HydrophobicContact CE1-CE 4.47Å; F102-M114 HydrophobicContact CE2-CE 3.51Å; F102-M114 HydrophobicContact CZ-CE 3.47Å; F102-M114 VanDerWaalsContact CZ-CE 3.47Å; F102-M114 PolarHBondContact N-O 3.14Å; F102-M114 PolarHBondContact O-N 3.36Å; V104-M114 HydrophobicContact CG2-CB 3.9Å; V104-M114 HydrophobicContact CG2-CE 3.57Å; V104-M114 HydrophobicContact CG2-SD 4.36Å; V112-M114 PolarHBondContact O-N 3.44Å; M114-V116 HydrophobicContact CE-CG2 3.92Å; M114-V116 HydrophobicContact CG-CG2 3.73Å; M114-V116 HydrophobicContact SD-CG2 4.01Å
115	A	92.8	Very high	77.2	Confident	9 Å²	9	71.1 Å²	71.1	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.2	169.6	0	0	0	0	0	109.2	I7 A8 N10 A100 E101	I7-A115 CarbonylContact C-O 3.56Å; I7-A115 WeakPolarHBondContact CA-O 3.47Å; A8-A115 PolarHBondContact N-O 3.23Å; A8-A115 PolarHBondContact O-N 3.44Å; N10-A115 WeakPolarHBondContact ND2-CB 3.4Å; A100-A115 CarbonylContact O-C 3.58Å; A100-A115 WeakPolarHBondContact O-CA 3.25Å; E101-A115 HydrophobicContact CB-CB 4.41Å; E101-A115 HydrophobicContact CG-CB 4.27Å
116	V	93.3	Very high	74.4	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.012	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.9	-176.7	-172.7	0	0	0	0	109	L5 R6 I7 C93 R99 A100 M114	L5-V116 HydrophobicContact CB-CG1 3.99Å; L5-V116 HydrophobicContact CD1-CG1 3.9Å; L5-V116 HydrophobicContact CD2-CG1 3.98Å; L5-V116 HydrophobicContact CG-CG1 4.18Å; R6-V116 CarbonylContact O-C 3.55Å; R6-V116 WeakPolarHBondContact O-CA 3.28Å; I7-V116 HydrophobicContact CG1-CG1 4.04Å; I7-V116 HydrophobicContact CG1-CG2 4.22Å; I7-V116 HydrophobicContact CG2-CG2 4.37Å; C93-V116 VanDerWaalsContact SG-CB 3.51Å; C93-V116 WeakPolarHBondContact SG-CG1 3.34Å; R99-V116 CarbonylContact C-O 3.48Å; R99-V116 WeakPolarHBondContact CA-O 3.19Å; A100-V116 PolarHBondContact N-O 3.32Å; A100-V116 PolarHBondContact O-N 2.8Å; M114-V116 HydrophobicContact CE-CG2 3.92Å; M114-V116 HydrophobicContact CG-CG2 3.73Å; M114-V116 HydrophobicContact SD-CG2 4.01Å
117	Q	90.7	Very high	71.3	Confident	73 Å²	73	79.8 Å²	79.8	34%	0.341	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132	174.7	-172.1	174.3	4	0	0	110.1	L5 R6 G98 R99 F119	L5-Q117 CarbonylContact C-O 3.51Å; L5-Q117 WeakPolarHBondContact CA-O 3.46Å; R6-Q117 PolarHBondContact N-O 3.43Å; R6-Q117 PolarHBondContact O-N 3.29Å; G98-Q117 CarbonylContact O-C 3.58Å; G98-Q117 WeakPolarHBondContact O-CA 3.24Å; G98-Q117 WeakPolarHBondContact O-CG 3.04Å; R99-Q117 HydrophobicContact CB-CG 4.4Å; R99-Q117 HydrophobicContact CG-CB 4.42Å; Q117-F119 HydrophobicContact CB-CE2 3.87Å; Q117-F119 HydrophobicContact CB-CZ 4.49Å; Q117-F119 HydrophobicContact CG-CD2 4.29Å; Q117-F119 HydrophobicContact CG-CE2 3.56Å; Q117-F119 HydrophobicContact CG-CZ 3.81Å
118	Y	87.6	Confident	68.4	Low	33 Å²	33	81.4 Å²	81.4	13%	0.129	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.5	-178.9	176.8	-97.3	0	0	0	110.4	P3 L5 I61 A90 K94 G98 L120	P3-Y118 HydrophobicContact CB-CE2 4.4Å; L5-Y118 HydrophobicContact CD2-CD2 3.68Å; L5-Y118 HydrophobicContact CD2-CG 4.29Å; I61-Y118 HydrophobicContact CD1-CD2 3.68Å; I61-Y118 HydrophobicContact CD1-CE2 3.39Å; A90-Y118 HydrophobicContact CB-CD2 4.1Å; A90-Y118 HydrophobicContact CB-CE2 4.28Å; K94-Y118 VanDerWaalsContact CE-OH 3.26Å; K94-Y118 WeakPolarHBondContact CE-OH 3.37Å; K94-Y118 HydrophobicContact CG-CD1 4.35Å; K94-Y118 HydrophobicContact CG-CE1 4.26Å; G98-Y118 PolarHBondContact O-N 3.37Å; Y118-L120 HydrophobicContact CD1-CG 4.32Å; Y118-L120 HydrophobicContact CE1-CD1 3.77Å; Y118-L120 HydrophobicContact CE1-CD2 3.85Å; Y118-L120 HydrophobicContact CE1-CG 3.41Å; Y118-L120 VanDerWaalsContact CE1-CG 3.41Å; Y118-L120 WeakPolarHBondContact OH-CD2 3.35Å
119	F	82.9	Confident	65.6	Low	61 Å²	61	85.7 Å²	85.7	27%	0.268	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	177.9	-69.9	-91.1	0	0	0	110.3	F4 R6 Q117	F4-F119 HydrophobicContact CD1-CB 4.29Å; F4-F119 HydrophobicContact CE1-CB 3.83Å; F4-F119 HydrophobicContact CE2-CB 4.22Å; F4-F119 AromaticContact CE2-CD2 3.96Å; F4-F119 HydrophobicContact CE2-CD2 3.96Å; F4-F119 HydrophobicContact CE2-CG 4.22Å; F4-F119 HydrophobicContact CZ-CB 3.79Å; F4-F119 HydrophobicContact CZ-CD2 4.19Å; F4-F119 AromaticContact CZ-CG 3.98Å; F4-F119 HydrophobicContact CZ-CG 3.98Å; F4-F119 PolarHBondContact O-N 3.45Å; R6-F119 HydrophobicContact CB-CD2 4.22Å; R6-F119 HydrophobicContact CB-CE2 3.69Å; Q117-F119 HydrophobicContact CB-CE2 3.87Å; Q117-F119 HydrophobicContact CB-CZ 4.49Å; Q117-F119 HydrophobicContact CG-CD2 4.29Å; Q117-F119 HydrophobicContact CG-CE2 3.56Å; Q117-F119 HydrophobicContact CG-CZ 3.81Å
120	L	70.3	Confident	62.8	Low	126 Å²	126	88.3 Å²	88.3	66%	0.66	47%	0.468	S	S	*	.			trans	-98.2	144.6	162.9	-73.7	158.7	0	0	0	107.3	Y118	Y118-L120 HydrophobicContact CD1-CG 4.32Å; Y118-L120 HydrophobicContact CE1-CD1 3.77Å; Y118-L120 HydrophobicContact CE1-CD2 3.85Å; Y118-L120 HydrophobicContact CE1-CG 3.41Å; Y118-L120 VanDerWaalsContact CE1-CG 3.41Å; Y118-L120 WeakPolarHBondContact OH-CD2 3.35Å
121	E	63.8	Low	59.9	Low	114 Å²	114	92.3 Å²	92.3	53%	0.533	50%	0.5	S	S	.	.	S	Bend	trans	-72.3	139	175.1	-142.7	175.5	-152.9	0	0	110.1	M1	M1-E121 WeakPolarHBondContact CB-OE1 3.44Å; M1-E121 WeakPolarHBondContact CG-OE1 3.26Å; M1-E121 PolarHBondContact N-OE1 3.13Å; M1-E121 PolarHBondContact N-OE2 3.1Å
122	D	37.2	Very low	56.8	Low	145 Å²	145	96 Å²	96	78%	0.775	52%	0.516	S	S	*	.			trans	69.8	92.3	177	-62.7	-17.3	0	0	0	119.4
123	V	31.8	Very low	53.6	Low	140 Å²	140	100.7 Å²	100.7	85%	0.848	54%	0.538	S	S	*	.				-149.3	131.7	111.1	-168	0	0	0	0	108.5
124	D	36.3	Very low	50.6	Low	154 Å²	154	104.7 Å²	104.7	82%	0.824	56%	0.556	S	S	*	*			trans	-45.8	137.4	167.4	-82.2	-43.4	0	0	0	113.1
125	T	29.7	Very low	47.3	Very low	137 Å²	137	112.1 Å²	112.1	84%	0.84	59%	0.591	S	S	*	*			trans	-157	110.9	142.1	-3.3	0	0	0	0	110.9
126	E	34.4	Very low	44.6	Very low	185 Å²	185	115.8 Å²	115.8	86%	0.864	62%	0.621	S	S	*	*			trans	-56.9	132.4	159.9	-64.4	-173.8	145.3	0	0	110.1
127	S	27.7	Very low	41.5	Very low	104 Å²	104	121.3 Å²	121.3	73%	0.727	66%	0.657	S	S	*	*				176.2	118	120.2	34.3	0	0	0	0	114.4
128	K	27.9	Very low	38.5	Very low	178 Å²	178	122.6 Å²	122.6	77%	0.774	67%	0.67	S	S	*	*				69.1	115.6	126	-69.1	-178.4	-179	175.5	0	122
129	H	27.7	Very low	35.7	Very low	179 Å²	179	128.1 Å²	128.1	83%	0.829	70%	0.701	S	S	*	*			trans	73.1	136	135.6	-66.4	-52.8	0	0	0	117.5
130	A	25.1	Very low	33.2	Very low	83 Å²	83	130.9 Å²	130.9	69%	0.686	72%	0.719	S	S	*	*			cis	-161.4	154	12	0	0	0	0	0	110.6
131	A	26.1	Very low	31.1	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	73%	0.727	S	S	*	*			trans	48	135	134.6	0	0	0	0	0	119.2
132	K	27.6	Very low	29.4	Very low	165 Å²	165	141.8 Å²	141.8	72%	0.717	75%	0.746	S	S	*	*			cis	-177	148.6	20.9	-126	178.5	171.7	-153.1	0	109.2
133	E	25.6	Very low	29	Very low	98 Å²	98	145.7 Å²	145.7	46%	0.458	75%	0.75	S	S	.	*			trans	54.4	112.1	136.9	-75.2	167	167.3	0	0	119.7
134	E	30	Very low	28.7	Very low	121 Å²	121	142 Å²	142	57%	0.565	74%	0.741	S	S	*	*				81	133.8	108.4	-73.7	-177.4	-172.9	0	0	112.9	K269	E134-K269 WeakPolarHBondContact OE1-CE 3.22Å; E134-K269 IonicContact OE1-NZ 2.66Å; E134-K269 PolarHBondContact OE1-NZ 3.36Å; E134-K269 IonicContact OE2-NZ 3.67Å; E134-K269 PolarHBondContact OE2-NZ 2.88Å
135	E	24.3	Very low	28.2	Very low	156 Å²	156	140 Å²	140	73%	0.729	75%	0.745	S	S	*	*			cis	-169.9	162.3	40	-131.1	167.6	-173.3	0	0	106.4
136	A	37.3	Very low	28.2	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	75%	0.745	S	S	*	*			trans	-54	168.9	175	0	0	0	0	0	113.4
137	P	28	Very low	28	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	75%	0.745	S	S	*	*				-135.9	131	99.8	33.8	-21.3	0	0	0	113.6
138	T	26.5	Very low	28.5	Very low	99 Å²	99	145.8 Å²	145.8	61%	0.607	75%	0.752	S	S	*	*			trans	-2.4	126.9	137.3	54	0	0	0	0	116.9	N140	T138-N140 PolarHBondContact O-N 3.33Å
139	L	28.9	Very low	29.4	Very low	150 Å²	150	140.4 Å²	140.4	79%	0.785	74%	0.741	S	S	*	*			trans	-38.6	124.1	135.6	-120.4	93.7	0	0	0	110.1
140	N	31.8	Very low	30.7	Very low	119 Å²	119	139.8 Å²	139.8	64%	0.636	74%	0.736	S	S	*	*				177.7	117.3	120.8	-87.5	-13.6	0	0	0	112.3	T138	T138-N140 PolarHBondContact O-N 3.33Å
141	R	24.6	Very low	32.9	Very low	222 Å²	222	138.9 Å²	138.9	84%	0.838	72%	0.718	S	S	*	*			trans	-139.9	88.9	140.7	-90.3	-170.8	174.9	174	0.7	110.2
142	R	28.4	Very low	35.2	Very low	246 Å²	246	137.3 Å²	137.3	93%	0.928	70%	0.695	S	S	*	*			trans	-101.1	124.1	132.4	-75.6	-173.9	-176.7	178.4	2.9	106.6	G144	R142-G144 PolarHBondContact O-N 3.11Å
143	R	28.4	Very low	37.6	Very low	227 Å²	227	136.2 Å²	136.2	86%	0.857	69%	0.691	S	S	*	*			trans	-73.1	109	179.4	-76.3	175.9	171.1	173.9	-2.6	109
144	G	27.1	Very low	40	Very low	63 Å²	63	133.2 Å²	133.2	65%	0.649	68%	0.678	S	S	*	*			trans	-110	151	152.4	0	0	0	0	0	108.4	R142 I146	R142-G144 PolarHBondContact O-N 3.11Å; G144-I146 PolarHBondContact O-N 3.47Å
145	A	24.5	Very low	41.9	Very low	112 Å²	112	133.5 Å²	133.5	93%	0.926	68%	0.677	S	S	*	*			trans	-50.6	130.3	-171.8	0	0	0	0	0	113.7	K147	A145-K147 PolarHBondContact O-N 2.87Å
146	I	29.2	Very low	44.2	Very low	163 Å²	163	129.6 Å²	129.6	84%	0.836	66%	0.661	S	S	*	*			trans	-81.6	115.3	176.7	-64.1	171.1	0	0	0	108.6	G144	G144-I146 PolarHBondContact O-N 3.47Å
147	K	31.2	Very low	45.9	Very low	199 Å²	199	126 Å²	126	87%	0.865	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-96	124.3	158	-136.5	175.5	-174.8	176.5	0	106.5	A145 A149	A145-K147 PolarHBondContact O-N 2.87Å; K147-A149 PolarHBondContact O-N 3.15Å; K147-A149 VanDerWaalsContact O-N 3.15Å
148	Q	37.7	Very low	48.5	Very low	185 Å²	185	122.2 Å²	122.2	86%	0.864	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-53.8	122.6	174.7	-75.1	176.8	-16.8	0	0	109.2	K150	Q148-K150 PolarHBondContact O-N 3.33Å
149	A	48	Very low	51.2	Low	66 Å²	66	117.5 Å²	117.5	55%	0.545	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-65.1	123.2	176.4	0	0	0	0	0	108.8	K147 I151	K147-A149 PolarHBondContact O-N 3.15Å; K147-A149 VanDerWaalsContact O-N 3.15Å; A149-I151 PolarHBondContact O-N 3.35Å
150	K	54.6	Low	53.6	Low	166 Å²	166	112.8 Å²	112.8	72%	0.722	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-61.2	117.5	177.5	-171.3	175.4	-178.3	177.2	0	109.2	Q148 H152	Q148-K150 PolarHBondContact O-N 3.33Å; K150-H152 PolarHBondContact O-CD2 3.29Å
151	I	71.7	Confident	55.8	Low	63 Å²	63	108.6 Å²	108.6	32%	0.323	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-82.3	127.6	178.3	-55.5	174.6	0	0	0	108.2	A149 F153 E158 I160	A149-I151 PolarHBondContact O-N 3.35Å; I151-F153 HydrophobicContact CB-CD2 4.47Å; I151-F153 HydrophobicContact CB-CE2 3.91Å; I151-F153 HydrophobicContact CB-CZ 4.47Å; I151-F153 HydrophobicContact CG2-CD2 3.98Å; I151-F153 HydrophobicContact CG2-CE1 4.42Å; I151-F153 HydrophobicContact CG2-CE2 3.54Å; I151-F153 HydrophobicContact CG2-CZ 3.8Å; I151-E158 HydrophobicContact CG2-CB 4.13Å; I151-E158 HydrophobicContact CG2-CG 4.2Å; I151-I160 HydrophobicContact CG1-CG2 4.17Å
152	H	73.9	Confident	58	Low	59 Å²	59	99.5 Å²	99.5	27%	0.273	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.7	174.1	-68.8	-98.8	0	0	0	109.2	K150 I154 H157 F159 Y185 I199	K150-H152 PolarHBondContact O-CD2 3.29Å; H152-I154 HydrophobicContact CB-CD1 4.4Å; H152-H157 VanDerWaalsContact O-O 3.07Å; H152-F159 HydrophobicContact CB-CB 4.27Å; H152-F159 PolarHBondContact N-O 3.5Å; H152-F159 PolarHBondContact O-N 3.5Å; H152-Y185 AromaticContact CD2-CE1 3.67Å; H152-Y185 AromaticContact NE2-CE1 3.99Å; H152-Y185 AromaticContact NE2-CZ 3.98Å; H152-Y185 PolarHBondContact NE2-OH 3.42Å; H152-I199 HydrophobicContact CB-CD1 3.81Å
153	F	77.3	Confident	60.1	Low	142 Å²	142	93.2 Å²	93.2	62%	0.623	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	104.3	176.7	-70.2	-91.6	0	0	0	109.7	I151 H157 E158	I151-F153 HydrophobicContact CB-CD2 4.47Å; I151-F153 HydrophobicContact CB-CE2 3.91Å; I151-F153 HydrophobicContact CB-CZ 4.47Å; I151-F153 HydrophobicContact CG2-CD2 3.98Å; I151-F153 HydrophobicContact CG2-CE1 4.42Å; I151-F153 HydrophobicContact CG2-CE2 3.54Å; I151-F153 HydrophobicContact CG2-CZ 3.8Å; F153-H157 WeakPolarHBondContact CA-O 3.11Å; F153-E158 HydrophobicContact CD1-CG 3.79Å; F153-E158 HydrophobicContact CE1-CG 3.31Å; F153-E158 HydrophobicContact CZ-CG 3.97Å
154	I	76.4	Confident	62	Low	36 Å²	36	83.3 Å²	83.3	19%	0.185	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.7	-178.2	-67.1	165.6	0	0	0	108.8	H152 N156 H157 I199 I202	H152-I154 HydrophobicContact CB-CD1 4.4Å; I154-N156 PolarHBondContact O-N 3.19Å; I154-H157 PolarHBondContact N-O 3.04Å; I154-H157 VanDerWaalsContact N-O 3.11Å; I154-H157 WeakPolarHBondContact O-CB 3.31Å; I154-H157 PolarHBondContact O-N 3.11Å; I154-I199 HydrophobicContact CD1-CB 4.45Å; I154-I199 HydrophobicContact CD1-CD1 3.43Å; I154-I199 VanDerWaalsContact CD1-CD1 3.43Å; I154-I199 HydrophobicContact CD1-CG1 3.44Å; I154-I199 VanDerWaalsContact CD1-CG1 3.44Å; I154-I199 HydrophobicContact CD1-CG2 4.44Å; I154-I202 HydrophobicContact CG2-CG2 3.6Å
155	K	69.9	Low	63.6	Low	126 Å²	126	88.5 Å²	88.5	55%	0.548	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	46.2	179.8	-56	-64.3	-176.4	-179.9	0	112.6	H157 I202 R205 C206	K155-H157 PolarHBondContact O-N 2.79Å; K155-I202 HydrophobicContact CG-CG2 4.47Å; K155-R205 VanDerWaalsContact O-CA 3.28Å; K155-R205 WeakPolarHBondContact O-CA 3.44Å; K155-C206 PolarHBondContact O-N 3.49Å
156	N	72.3	Confident	65.5	Low	75 Å²	75	87.7 Å²	87.7	40%	0.401	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	4.4	-176.5	-59.8	0.3	0	0	0	116.2	I154 C206 T209	I154-N156 PolarHBondContact O-N 3.19Å; N156-C206 VanDerWaalsContact C-CB 3.4Å; N156-C206 HydrophobicContact CB-CB 4.12Å; N156-C206 WeakPolarHBondContact O-CB 3.38Å; N156-T209 PolarHBondContact O-OG1 2.89Å
157	H	73.6	Confident	67.4	Low	9 Å²	9	82.3 Å²	82.3	4%	0.042	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.4	169.7	-69.3	-92.1	0	0	0	111.1	H152 F153 I154 K155 F159 C187 C190 G204 C206	H152-H157 VanDerWaalsContact O-O 3.07Å; F153-H157 WeakPolarHBondContact CA-O 3.11Å; I154-H157 PolarHBondContact N-O 3.04Å; I154-H157 VanDerWaalsContact N-O 3.11Å; I154-H157 WeakPolarHBondContact O-CB 3.31Å; I154-H157 PolarHBondContact O-N 3.11Å; K155-H157 PolarHBondContact O-N 2.79Å; H157-F159 HydrophobicContact CB-CD2 3.52Å; H157-F159 HydrophobicContact CB-CE2 3.14Å; H157-F159 HydrophobicContact CB-CG 4.35Å; H157-F159 HydrophobicContact CB-CZ 3.69Å; H157-F159 AromaticContact CG-CE2 3.58Å; H157-F159 AromaticContact CG-CZ 3.74Å; H157-F159 AromaticContact ND1-CZ 3.82Å; H157-F159 PolarHBondContact O-N 3.34Å; H157-C187 HydrophobicContact CB-CB 4.49Å; H157-C187 PolarHBondContact ND1-SG 3.42Å; H157-C187 VanDerWaalsContact ND1-SG 3.35Å; H157-C190 PolarHBondContact CE1-SG 3.36Å; H157-C190 PolarHBondContact ND1-SG 2.76Å; H157-G204 PolarHBondContact NE2-O 2.88Å; H157-C206 HydrophobicContact CB-CB 4.27Å; H157-C206 PolarHBondContact CD2-N 2.61Å; H157-C206 PolarHBondContact ND1-SG 3.49Å; H157-C206 VanDerWaalsContact NE2-CA 3.34Å; H157-C206 WeakPolarHBondContact NE2-CA 3.19Å; H157-C206 PolarHBondContact NE2-N 3.39Å; H157-C206 VanDerWaalsContact NE2-N 3.15Å
158	E	82	Confident	69.4	Low	40 Å²	40	72.9 Å²	72.9	19%	0.187	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	88.6	165.9	-79.3	-179.9	-128.9	0	0	110.5	I151 F153 C187 R188 Q189	I151-E158 HydrophobicContact CG2-CB 4.13Å; I151-E158 HydrophobicContact CG2-CG 4.2Å; F153-E158 HydrophobicContact CD1-CG 3.79Å; F153-E158 HydrophobicContact CE1-CG 3.31Å; F153-E158 HydrophobicContact CZ-CG 3.97Å; E158-C187 CarbonylContact O-C 3.55Å; E158-C187 WeakPolarHBondContact O-CA 3.26Å; E158-R188 HydrophobicContact CB-CB 4.35Å; E158-R188 PolarHBondContact O-N 2.82Å; E158-R188 IonicContact OE2-NH1 2.8Å; E158-R188 PolarHBondContact OE2-NH1 3.13Å; E158-Q189 PolarHBondContact OE1-NE2 3.35Å
159	F	82.8	Confident	71.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.8	179.5	-77.4	-66.3	0	0	0	111.7	H152 H157 Y185 C187 I194 I199 I202	H152-F159 HydrophobicContact CB-CB 4.27Å; H152-F159 PolarHBondContact N-O 3.5Å; H152-F159 PolarHBondContact O-N 3.5Å; H157-F159 HydrophobicContact CB-CD2 3.52Å; H157-F159 HydrophobicContact CB-CE2 3.14Å; H157-F159 HydrophobicContact CB-CG 4.35Å; H157-F159 HydrophobicContact CB-CZ 3.69Å; H157-F159 AromaticContact CG-CE2 3.58Å; H157-F159 AromaticContact CG-CZ 3.74Å; H157-F159 AromaticContact ND1-CZ 3.82Å; H157-F159 PolarHBondContact O-N 3.34Å; F159-Y185 HydrophobicContact CB-CD1 4.27Å; F159-Y185 HydrophobicContact CB-CG 4.33Å; F159-C187 HydrophobicContact CD1-CB 3.84Å; F159-C187 HydrophobicContact CE1-CB 3.53Å; F159-C187 HydrophobicContact CZ-CB 4.08Å; F159-I194 HydrophobicContact CD1-CD1 4.16Å; F159-I194 HydrophobicContact CD1-CG1 4.38Å; F159-I194 HydrophobicContact CD2-CD1 4.39Å; F159-I194 HydrophobicContact CE1-CD1 3.69Å; F159-I194 HydrophobicContact CE1-CG1 3.99Å; F159-I194 HydrophobicContact CE2-CD1 3.92Å; F159-I194 HydrophobicContact CZ-CD1 3.58Å; F159-I194 HydrophobicContact CZ-CG1 4.35Å; F159-I199 HydrophobicContact CB-CD1 4.32Å; F159-I199 HydrophobicContact CD2-CD1 4.48Å; F159-I199 HydrophobicContact CD2-CG1 4.29Å; F159-I202 HydrophobicContact CE2-CD1 3.79Å; F159-I202 HydrophobicContact CZ-CD1 3.57Å
160	I	81.1	Confident	73.2	Confident	50 Å²	50	63.1 Å²	63.1	26%	0.256	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.2	170.2	56.4	166.4	0	0	0	110.4	I151 T162 Y185 K186 R188	I151-I160 HydrophobicContact CG1-CG2 4.17Å; I160-T162 PolarHBondContact O-N 2.87Å; I160-T162 VanDerWaalsContact O-N 3.15Å; I160-T162 PolarHBondContact O-OG1 2.82Å; I160-T162 VanDerWaalsContact O-OG1 3.04Å; I160-Y185 WeakPolarHBondContact O-CA 3.37Å; I160-K186 WeakPolarHBondContact CG1-O 3.44Å; I160-K186 PolarHBondContact N-O 3.18Å; I160-K186 PolarHBondContact O-N 2.85Å; I160-R188 HydrophobicContact CB-CG 4.48Å; I160-R188 HydrophobicContact CD1-CG 3.79Å; I160-R188 HydrophobicContact CG1-CG 3.81Å; I160-R188 HydrophobicContact CG2-CG 3.91Å
161	A	76.3	Confident	74.6	Confident	31 Å²	31	56.4 Å²	56.4	26%	0.256	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	115.5	178.5	0	0	0	0	0	108.6	Q183 G184 Y185	A161-Q183 VanDerWaalsContact CB-CD 3.49Å; A161-Q183 HydrophobicContact CB-CG 4.02Å; A161-G184 CarbonylContact C-O 3.57Å; A161-G184 WeakPolarHBondContact CA-O 3.38Å; A161-Y185 HydrophobicContact CB-CD1 4.01Å; A161-Y185 HydrophobicContact CB-CE1 3.72Å
162	T	71.9	Confident	75.1	Confident	32 Å²	32	53.9 Å²	53.9	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.2	-168.5	-60	0	0	0	0	109.8	I160 F164 G184 K186	I160-T162 PolarHBondContact O-N 2.87Å; I160-T162 VanDerWaalsContact O-N 3.15Å; I160-T162 PolarHBondContact O-OG1 2.82Å; I160-T162 VanDerWaalsContact O-OG1 3.04Å; T162-F164 HydrophobicContact CG2-CE1 4.49Å; T162-G184 PolarHBondContact N-O 3.46Å; T162-G184 PolarHBondContact O-N 3.28Å; T162-G184 VanDerWaalsContact O-O 3.12Å; T162-K186 HydrophobicContact CG2-CB 4.26Å
163	F	71.9	Confident	75.2	Confident	113 Å²	113	52.6 Å²	52.6	50%	0.496	26%	0.255	S	S	.	.			trans	-90.7	116.3	169.4	-167	-96.4	0	0	0	108.3	R165	F163-R165 HydrophobicContact CD1-CG 4.28Å
164	F	69.6	Low	75.2	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.083	25%	0.253	C	S	.	.			trans	-83.3	118.1	-179.8	-63.2	-87.2	0	0	0	108.1	T162 Q166 T168 V177 W178 K186 A193	T162-F164 HydrophobicContact CG2-CE1 4.49Å; F164-Q166 VanDerWaalsContact C-N 3.29Å; F164-T168 HydrophobicContact CD1-CG2 3.74Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.27Å; F164-V177 HydrophobicContact CD2-CG1 3.95Å; F164-V177 HydrophobicContact CE2-CG1 3.83Å; F164-W178 VanDerWaalsContact O-CD1 3.22Å; F164-K186 HydrophobicContact CE1-CB 4.08Å; F164-K186 HydrophobicContact CE1-CD 4.13Å; F164-K186 HydrophobicContact CE1-CG 4.28Å; F164-K186 HydrophobicContact CZ-CB 3.83Å; F164-K186 HydrophobicContact CZ-CG 4.47Å; F164-A193 HydrophobicContact CE1-CB 3.71Å; F164-A193 HydrophobicContact CZ-CB 3.74Å
165	R	58.8	Low	75.3	Confident	172 Å²	172	57.4 Å²	57.4	65%	0.649	27%	0.272	S	S	*	.	S	Bend	trans	-86.6	-1.3	-177.5	-62.5	-176.5	-178.1	176.3	-0.6	113.5	F163	F163-R165 HydrophobicContact CD1-CG 4.28Å
166	Q	65.1	Low	75.5	Confident	95 Å²	95	56 Å²	56	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	-133.8	155	179	65.8	-171.8	-6.5	0	0	109.3	F164 T168 W178 S247	F164-Q166 VanDerWaalsContact C-N 3.29Å; Q166-T168 PolarHBondContact O-N 3.16Å; Q166-T168 PolarHBondContact O-OG1 3.05Å; Q166-W178 VanDerWaalsContact C-CD1 3.47Å; Q166-S247 PolarHBondContact NE2-OG 3.29Å
167	P	68.8	Low	75.2	Confident	51 Å²	51	52.6 Å²	52.6	33%	0.331	25%	0.248	S	C	.	.			trans	-51.5	116.7	174.9	-24.6	33.6	0	0	0	110.5	F176 W178 F241	P167-F176 HydrophobicContact CB-CE1 3.89Å; P167-W178 HydrophobicContact CB-CD2 4.38Å; P167-W178 HydrophobicContact CB-CE3 4.29Å; P167-W178 HydrophobicContact CG-CD2 4.28Å; P167-W178 HydrophobicContact CG-CE3 4.25Å; P167-W178 HydrophobicContact CG-CH2 4.29Å; P167-W178 HydrophobicContact CG-CZ2 4.32Å; P167-W178 HydrophobicContact CG-CZ3 4.25Å; P167-F241 HydrophobicContact CB-CE1 4.48Å
168	T	74.6	Confident	74.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.265	C	S	.	.			trans	-134.8	130.1	-173.8	-54.1	0	0	0	0	110.5	F164 Q166 V177 A193 G246	F164-T168 HydrophobicContact CD1-CG2 3.74Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.27Å; Q166-T168 PolarHBondContact O-N 3.16Å; Q166-T168 PolarHBondContact O-OG1 3.05Å; T168-V177 PolarHBondContact O-N 3.11Å; T168-A193 HydrophobicContact CG2-CB 3.67Å; T168-G246 WeakPolarHBondContact CA-O 3.35Å
169	F	81.8	Confident	72.8	Confident	45 Å²	45	56.4 Å²	56.4	20%	0.197	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-92.6	151.4	178.7	-69.7	-89.9	0	0	0	113.3	R174 F176 F241 G246	F169-R174 WeakPolarHBondContact CD1-O 3.46Å; F169-F176 HydrophobicContact CD1-CD1 4.5Å; F169-F176 HydrophobicContact CD1-CD2 4.35Å; F169-F176 HydrophobicContact CD1-CE2 4.45Å; F169-F176 HydrophobicContact CD1-CG 4.4Å; F169-F176 HydrophobicContact CD2-CE1 4.33Å; F169-F176 HydrophobicContact CE1-CD1 4.2Å; F169-F176 AromaticContact CE1-CD2 3.63Å; F169-F176 HydrophobicContact CE1-CD2 3.63Å; F169-F176 AromaticContact CE1-CE1 3.97Å; F169-F176 HydrophobicContact CE1-CE1 3.97Å; F169-F176 AromaticContact CE1-CE2 3.4Å; F169-F176 HydrophobicContact CE1-CE2 3.4Å; F169-F176 HydrophobicContact CE1-CG 4.05Å; F169-F176 AromaticContact CE1-CZ 3.6Å; F169-F176 HydrophobicContact CE1-CZ 3.6Å; F169-F176 HydrophobicContact CE2-CD1 4.38Å; F169-F176 AromaticContact CE2-CE1 3.65Å; F169-F176 HydrophobicContact CE2-CE1 3.65Å; F169-F176 HydrophobicContact CE2-CE2 4.33Å; F169-F176 AromaticContact CE2-CZ 3.66Å; F169-F176 HydrophobicContact CE2-CZ 3.66Å; F169-F176 HydrophobicContact CZ-CD1 4.16Å; F169-F176 HydrophobicContact CZ-CD2 4.02Å; F169-F176 AromaticContact CZ-CE1 3.48Å; F169-F176 HydrophobicContact CZ-CE1 3.48Å; F169-F176 VanDerWaalsContact CZ-CE1 3.48Å; F169-F176 AromaticContact CZ-CE2 3.34Å; F169-F176 HydrophobicContact CZ-CE2 3.34Å; F169-F176 HydrophobicContact CZ-CG 4.4Å; F169-F176 AromaticContact CZ-CZ 3.05Å; F169-F176 HydrophobicContact CZ-CZ 3.05Å; F169-F241 HydrophobicContact CD2-CB 3.75Å; F169-F241 AromaticContact CD2-CD1 3.89Å; F169-F241 HydrophobicContact CD2-CD1 3.89Å; F169-F241 HydrophobicContact CD2-CD2 4.07Å; F169-F241 AromaticContact CD2-CG 3.63Å; F169-F241 HydrophobicContact CD2-CG 3.63Å; F169-F241 HydrophobicContact CE2-CB 4.02Å; F169-F241 AromaticContact CE2-CD1 3.85Å; F169-F241 HydrophobicContact CE2-CD1 3.85Å; F169-F241 AromaticContact CE2-CD2 3.43Å; F169-F241 HydrophobicContact CE2-CD2 3.43Å; F169-F241 VanDerWaalsContact CE2-CD2 3.43Å; F169-F241 HydrophobicContact CE2-CE1 4.15Å; F169-F241 AromaticContact CE2-CE2 3.78Å; F169-F241 HydrophobicContact CE2-CE2 3.78Å; F169-F241 AromaticContact CE2-CG 3.48Å; F169-F241 HydrophobicContact CE2-CG 3.48Å; F169-F241 VanDerWaalsContact CE2-CG 3.48Å; F169-F241 HydrophobicContact CE2-CZ 4.12Å; F169-F241 HydrophobicContact CZ-CD2 4.31Å; F169-G246 PolarHBondContact N-O 3.43Å; F169-G246 VanDerWaalsContact N-O 3.17Å; F169-G246 WeakPolarHBondContact O-CA 3.31Å
170	C	83.8	Confident	70.6	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.014	30%	0.298	C	S	.	.			trans	-80	126.3	175.3	-179.6	0	0	0	0	110.8	V172 R174 E175 V177 A193 H195	C170-V172 PolarHBondContact O-N 3.35Å; C170-V172 VanDerWaalsContact O-N 3.13Å; C170-V172 PolarHBondContact SG-N 3.27Å; C170-V172 VanDerWaalsContact SG-N 3.45Å; C170-R174 WeakPolarHBondContact O-CA 3.5Å; C170-R174 PolarHBondContact O-N 3.31Å; C170-E175 WeakPolarHBondContact CB-O 3.24Å; C170-E175 PolarHBondContact N-O 3.1Å; C170-V177 HydrophobicContact CB-CG2 3.47Å; C170-V177 VanDerWaalsContact CB-CG2 3.47Å; C170-A193 WeakPolarHBondContact CA-O 3.38Å; C170-H195 VanDerWaalsContact CB-CE1 3.44Å; C170-H195 WeakPolarHBondContact CB-CE1 3.17Å; C170-H195 WeakPolarHBondContact CB-ND1 3.46Å
171	S	83.6	Confident	68.8	Low	24 Å²	24	67.6 Å²	67.6	17%	0.168	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.4	178.2	66.1	0	0	0	0	115	A193 I194 D243	S171-A193 PolarHBondContact N-O 3.35Å; S171-I194 VanDerWaalsContact OG-CG2 3.25Å; S171-I194 WeakPolarHBondContact OG-CG2 3.23Å; S171-D243 WeakPolarHBondContact CA-O 3.43Å; S171-D243 VanDerWaalsContact CB-O 3.26Å; S171-D243 WeakPolarHBondContact CB-O 3.26Å
172	V	81.1	Confident	67.5	Low	11 Å²	11	72.3 Å²	72.3	7%	0.067	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-47.5	-178.6	178.3	0	0	0	0	112	C170 I194 C198 K201	C170-V172 PolarHBondContact O-N 3.35Å; C170-V172 VanDerWaalsContact O-N 3.13Å; C170-V172 PolarHBondContact SG-N 3.27Å; C170-V172 VanDerWaalsContact SG-N 3.45Å; V172-I194 HydrophobicContact CG2-CG2 3.84Å; V172-C198 HydrophobicContact CB-CB 4.17Å; V172-C198 HydrophobicContact CG1-CB 4.38Å; V172-K201 HydrophobicContact CG1-CB 4.08Å
173	C	76	Confident	66.9	Low	31 Å²	31	75.6 Å²	75.6	21%	0.209	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2.8	-175.1	73.4	0	0	0	0	114.5	E175 H195	C173-E175 PolarHBondContact O-N 3Å; C173-E175 VanDerWaalsContact O-N 3.13Å; C173-H195 PolarHBondContact SG-CE1 3.23Å; C173-H195 PolarHBondContact SG-ND1 2.83Å; C173-H195 VanDerWaalsContact SG-ND1 3.35Å
174	R	77.3	Confident	67.2	Low	157 Å²	157	70.3 Å²	70.3	59%	0.592	33%	0.332	S	S	*	.			trans	58.2	19.5	-179.5	-55.1	-177.4	-176.9	167.1	-2.8	115.3	F169 C170	F169-R174 WeakPolarHBondContact CD1-O 3.46Å; C170-R174 WeakPolarHBondContact O-CA 3.5Å; C170-R174 PolarHBondContact O-N 3.31Å
175	E	78.3	Confident	67.9	Low	123 Å²	123	70.2 Å²	70.2	58%	0.575	33%	0.331	S	S	*	.	S	Bend	trans	-98.1	158.1	175	-62.7	-67.7	158.7	0	0	111	C170 C173 V177 H195	C170-E175 WeakPolarHBondContact CB-O 3.24Å; C170-E175 PolarHBondContact N-O 3.1Å; C173-E175 PolarHBondContact O-N 3Å; C173-E175 VanDerWaalsContact O-N 3.13Å; E175-V177 PolarHBondContact O-N 2.88Å; E175-H195 PolarHBondContact O-CE1 3.3Å
176	F	76	Confident	69.2	Low	97 Å²	97	65.4 Å²	65.4	43%	0.425	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-62.7	125	179.3	-84.1	-80.2	0	0	0	113.3	P167 F169 W178 H195	P167-F176 HydrophobicContact CB-CE1 3.89Å; F169-F176 HydrophobicContact CD1-CD1 4.5Å; F169-F176 HydrophobicContact CD1-CD2 4.35Å; F169-F176 HydrophobicContact CD1-CE2 4.45Å; F169-F176 HydrophobicContact CD1-CG 4.4Å; F169-F176 HydrophobicContact CD2-CE1 4.33Å; F169-F176 HydrophobicContact CE1-CD1 4.2Å; F169-F176 AromaticContact CE1-CD2 3.63Å; F169-F176 HydrophobicContact CE1-CD2 3.63Å; F169-F176 AromaticContact CE1-CE1 3.97Å; F169-F176 HydrophobicContact CE1-CE1 3.97Å; F169-F176 AromaticContact CE1-CE2 3.4Å; F169-F176 HydrophobicContact CE1-CE2 3.4Å; F169-F176 HydrophobicContact CE1-CG 4.05Å; F169-F176 AromaticContact CE1-CZ 3.6Å; F169-F176 HydrophobicContact CE1-CZ 3.6Å; F169-F176 HydrophobicContact CE2-CD1 4.38Å; F169-F176 AromaticContact CE2-CE1 3.65Å; F169-F176 HydrophobicContact CE2-CE1 3.65Å; F169-F176 HydrophobicContact CE2-CE2 4.33Å; F169-F176 AromaticContact CE2-CZ 3.66Å; F169-F176 HydrophobicContact CE2-CZ 3.66Å; F169-F176 HydrophobicContact CZ-CD1 4.16Å; F169-F176 HydrophobicContact CZ-CD2 4.02Å; F169-F176 AromaticContact CZ-CE1 3.48Å; F169-F176 HydrophobicContact CZ-CE1 3.48Å; F169-F176 VanDerWaalsContact CZ-CE1 3.48Å; F169-F176 AromaticContact CZ-CE2 3.34Å; F169-F176 HydrophobicContact CZ-CE2 3.34Å; F169-F176 HydrophobicContact CZ-CG 4.4Å; F169-F176 AromaticContact CZ-CZ 3.05Å; F169-F176 HydrophobicContact CZ-CZ 3.05Å; F176-W178 VanDerWaalsContact C-N 3.34Å; F176-H195 VanDerWaalsContact C-NE2 3.32Å; F176-H195 PolarHBondContact O-NE2 3.29Å
177	V	64.4	Low	70.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	29%	0.294	C	S	.	.			trans	-90.2	-5.7	173.3	-170.6	0	0	0	0	111.6	F164 T168 C170 E175 H195	F164-V177 HydrophobicContact CD2-CG1 3.95Å; F164-V177 HydrophobicContact CE2-CG1 3.83Å; T168-V177 PolarHBondContact O-N 3.11Å; C170-V177 HydrophobicContact CB-CG2 3.47Å; C170-V177 VanDerWaalsContact CB-CG2 3.47Å; E175-V177 PolarHBondContact O-N 2.88Å; V177-H195 WeakPolarHBondContact CA-NE2 3.19Å
178	W	54	Low	70.7	Confident	106 Å²	106	65.3 Å²	65.3	40%	0.402	30%	0.304	S	S	.	.			trans	-93.6	153.1	-172.9	179.5	74.7	0	0	0	113.3	F164 Q166 P167 F176	F164-W178 VanDerWaalsContact O-CD1 3.22Å; Q166-W178 VanDerWaalsContact C-CD1 3.47Å; P167-W178 HydrophobicContact CB-CD2 4.38Å; P167-W178 HydrophobicContact CB-CE3 4.29Å; P167-W178 HydrophobicContact CG-CD2 4.28Å; P167-W178 HydrophobicContact CG-CE3 4.25Å; P167-W178 HydrophobicContact CG-CH2 4.29Å; P167-W178 HydrophobicContact CG-CZ2 4.32Å; P167-W178 HydrophobicContact CG-CZ3 4.25Å; F176-W178 VanDerWaalsContact C-N 3.34Å
179	G	52	Low	70.9	Confident	23 Å²	23	67.5 Å²	67.5	24%	0.237	31%	0.314	C	S	.	.	S	Bend	trans	138.2	165.1	179.1	0	0	0	0	0	115.2	N181 K182	G179-N181 PolarHBondContact O-N 2.89Å; G179-K182 PolarHBondContact O-N 3.48Å
180	L	36.3	Very low	70.5	Confident	125 Å²	125	65.4 Å²	65.4	65%	0.654	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	127.4	-180	-82.3	158.6	0	0	0	112	K182 L533	L180-K182 PolarHBondContact O-N 2.87Å; L180-K182 VanDerWaalsContact O-N 3.1Å; L180-L533 HydrophobicContact CD1-CD2 4.48Å
181	N	42.4	Very low	70.5	Confident	160 Å²	160	67.5 Å²	67.5	86%	0.856	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	10.3	-178.3	-65.2	-31.8	0	0	0	116.8	G179	G179-N181 PolarHBondContact O-N 2.89Å
182	K	49.9	Very low	70.7	Confident	131 Å²	131	66.5 Å²	66.5	57%	0.57	31%	0.309	S	S	*	.			trans	-89.3	112.5	174.8	-68.6	-177	-177.2	171	0	110.2	G179 L180	G179-K182 PolarHBondContact O-N 3.48Å; L180-K182 PolarHBondContact O-N 2.87Å; L180-K182 VanDerWaalsContact O-N 3.1Å
183	Q	59.5	Low	71	Confident	101 Å²	101	66 Å²	66	47%	0.472	31%	0.306	S	S	.	.			trans	-95.2	126.2	172.8	-169.8	175.2	34.3	0	0	109.5	A161	A161-Q183 VanDerWaalsContact CB-CD 3.49Å; A161-Q183 HydrophobicContact CB-CG 4.02Å
184	G	78.3	Confident	71.5	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-176.6	169.2	0	0	0	0	0	111.5	A161 T162 I194	A161-G184 CarbonylContact C-O 3.57Å; A161-G184 WeakPolarHBondContact CA-O 3.38Å; T162-G184 PolarHBondContact N-O 3.46Å; T162-G184 PolarHBondContact O-N 3.28Å; T162-G184 VanDerWaalsContact O-O 3.12Å; G184-I194 CarbonylContact C-O 3.52Å; G184-I194 WeakPolarHBondContact CA-O 3.45Å
185	Y	85.1	Confident	71.8	Confident	17 Å²	17	58.2 Å²	58.2	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.1	174.3	-69.7	-69.7	0	0	0	110.1	H152 F159 I160 A161 I194 K196 I199	H152-Y185 AromaticContact CD2-CE1 3.67Å; H152-Y185 AromaticContact NE2-CE1 3.99Å; H152-Y185 AromaticContact NE2-CZ 3.98Å; H152-Y185 PolarHBondContact NE2-OH 3.42Å; F159-Y185 HydrophobicContact CB-CD1 4.27Å; F159-Y185 HydrophobicContact CB-CG 4.33Å; I160-Y185 WeakPolarHBondContact O-CA 3.37Å; A161-Y185 HydrophobicContact CB-CD1 4.01Å; A161-Y185 HydrophobicContact CB-CE1 3.72Å; Y185-I194 PolarHBondContact N-O 3.13Å; Y185-I194 PolarHBondContact O-N 3.47Å; Y185-K196 HydrophobicContact CD2-CB 4.3Å; Y185-K196 HydrophobicContact CE2-CB 3.87Å; Y185-K196 HydrophobicContact CE2-CG 3.63Å; Y185-I199 HydrophobicContact CD1-CD1 4.48Å; Y185-I199 HydrophobicContact CD2-CB 4.07Å; Y185-I199 HydrophobicContact CD2-CD1 3.67Å; Y185-I199 HydrophobicContact CD2-CG1 4.11Å; Y185-I199 HydrophobicContact CE1-CD1 4.48Å; Y185-I199 HydrophobicContact CE2-CB 4.21Å; Y185-I199 HydrophobicContact CE2-CD1 3.62Å; Y185-I199 HydrophobicContact CE2-CG1 4.36Å; Y185-I199 HydrophobicContact CE2-CG2 4.39Å; Y185-I199 HydrophobicContact CG-CD1 4.11Å
186	K	84.5	Confident	72	Confident	71 Å²	71	58.4 Å²	58.4	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	170.7	-168.3	175.7	177	-179.6	0	109	I160 T162 F164 N191 A192	I160-K186 WeakPolarHBondContact CG1-O 3.44Å; I160-K186 PolarHBondContact N-O 3.18Å; I160-K186 PolarHBondContact O-N 2.85Å; T162-K186 HydrophobicContact CG2-CB 4.26Å; F164-K186 HydrophobicContact CE1-CB 4.08Å; F164-K186 HydrophobicContact CE1-CD 4.13Å; F164-K186 HydrophobicContact CE1-CG 4.28Å; F164-K186 HydrophobicContact CZ-CB 3.83Å; F164-K186 HydrophobicContact CZ-CG 4.47Å; K186-N191 VanDerWaalsContact CE-OD1 3.24Å; K186-N191 WeakPolarHBondContact CE-OD1 3.3Å; K186-A192 WeakPolarHBondContact CA-O 3.46Å
187	C	84.5	Confident	72.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.8	174.4	-177.4	0	0	0	0	109.6	H157 E158 F159 Q189 C190 N191 A192	H157-C187 HydrophobicContact CB-CB 4.49Å; H157-C187 PolarHBondContact ND1-SG 3.42Å; H157-C187 VanDerWaalsContact ND1-SG 3.35Å; E158-C187 CarbonylContact O-C 3.55Å; E158-C187 WeakPolarHBondContact O-CA 3.26Å; F159-C187 HydrophobicContact CD1-CB 3.84Å; F159-C187 HydrophobicContact CE1-CB 3.53Å; F159-C187 HydrophobicContact CZ-CB 4.08Å; C187-Q189 VanDerWaalsContact C-N 3.25Å; C187-Q189 PolarHBondContact O-N 3.34Å; C187-C190 VanDerWaalsContact CB-SG 3.55Å; C187-C190 PolarHBondContact SG-SG 2.85Å; C187-N191 WeakPolarHBondContact O-CA 3.41Å; C187-N191 PolarHBondContact O-N 3.43Å; C187-A192 HydrophobicContact CB-CB 4.3Å; C187-A192 PolarHBondContact N-O 3Å
188	R	80.8	Confident	72.9	Confident	145 Å²	145	61.4 Å²	61.4	55%	0.547	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	179.4	-68.4	179.8	66.6	-154.3	6.3	114	E158 I160	E158-R188 HydrophobicContact CB-CB 4.35Å; E158-R188 PolarHBondContact O-N 2.82Å; E158-R188 IonicContact OE2-NH1 2.8Å; E158-R188 PolarHBondContact OE2-NH1 3.13Å; I160-R188 HydrophobicContact CB-CG 4.48Å; I160-R188 HydrophobicContact CD1-CG 3.79Å; I160-R188 HydrophobicContact CG1-CG 3.81Å; I160-R188 HydrophobicContact CG2-CG 3.91Å
189	Q	79.5	Confident	74.1	Confident	46 Å²	46	56.8 Å²	56.8	22%	0.215	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-53.9	-172.8	-60.9	179.3	3.5	0	0	111.9	E158 C187 T209	E158-Q189 PolarHBondContact OE1-NE2 3.35Å; C187-Q189 VanDerWaalsContact C-N 3.25Å; C187-Q189 PolarHBondContact O-N 3.34Å; Q189-T209 PolarHBondContact OE1-OG1 3.01Å
190	C	74.3	Confident	75.2	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.9	-175.9	68.1	0	0	0	0	114.4	H157 C187 A192 C206 H244 K273	H157-C190 PolarHBondContact CE1-SG 3.36Å; H157-C190 PolarHBondContact ND1-SG 2.76Å; C187-C190 VanDerWaalsContact CB-SG 3.55Å; C187-C190 PolarHBondContact SG-SG 2.85Å; C190-A192 PolarHBondContact O-N 3.45Å; C190-A192 VanDerWaalsContact O-N 3.16Å; C190-C206 VanDerWaalsContact SG-SG 3.64Å; C190-H244 PolarHBondContact O-NE2 3.46Å; C190-K273 HydrophobicContact CB-CB 4.45Å
191	N	83.8	Confident	77.2	Confident	46 Å²	46	60.1 Å²	60.1	25%	0.246	28%	0.278	C	S	.	.			trans	61.1	12.8	-176.7	-70.7	-35.4	0	0	0	116.3	K186 C187 A193	K186-N191 VanDerWaalsContact CE-OD1 3.24Å; K186-N191 WeakPolarHBondContact CE-OD1 3.3Å; C187-N191 WeakPolarHBondContact O-CA 3.41Å; C187-N191 PolarHBondContact O-N 3.43Å; N191-A193 PolarHBondContact O-N 3.28Å
192	A	85.9	Confident	78.8	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	24%	0.24	C	C	.	.			trans	-57.7	133.7	174.4	0	0	0	0	0	111.5	K186 C187 C190 H244	K186-A192 WeakPolarHBondContact CA-O 3.46Å; C187-A192 HydrophobicContact CB-CB 4.3Å; C187-A192 PolarHBondContact N-O 3Å; C190-A192 PolarHBondContact O-N 3.45Å; C190-A192 VanDerWaalsContact O-N 3.16Å; A192-H244 WeakPolarHBondContact CA-O 3.48Å
193	A	87.6	Confident	79.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.3	-177.8	0	0	0	0	0	110.9	F164 T168 C170 S171 N191	F164-A193 HydrophobicContact CE1-CB 3.71Å; F164-A193 HydrophobicContact CZ-CB 3.74Å; T168-A193 HydrophobicContact CG2-CB 3.67Å; C170-A193 WeakPolarHBondContact CA-O 3.38Å; S171-A193 PolarHBondContact N-O 3.35Å; N191-A193 PolarHBondContact O-N 3.28Å
194	I	87.4	Confident	80.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.5	-177.2	63.3	-179.7	0	0	0	112.7	F159 S171 V172 G184 Y185 C198 I199	F159-I194 HydrophobicContact CD1-CD1 4.16Å; F159-I194 HydrophobicContact CD1-CG1 4.38Å; F159-I194 HydrophobicContact CD2-CD1 4.39Å; F159-I194 HydrophobicContact CE1-CD1 3.69Å; F159-I194 HydrophobicContact CE1-CG1 3.99Å; F159-I194 HydrophobicContact CE2-CD1 3.92Å; F159-I194 HydrophobicContact CZ-CD1 3.58Å; F159-I194 HydrophobicContact CZ-CG1 4.35Å; S171-I194 VanDerWaalsContact OG-CG2 3.25Å; S171-I194 WeakPolarHBondContact OG-CG2 3.23Å; V172-I194 HydrophobicContact CG2-CG2 3.84Å; G184-I194 CarbonylContact C-O 3.52Å; G184-I194 WeakPolarHBondContact CA-O 3.45Å; Y185-I194 PolarHBondContact N-O 3.13Å; Y185-I194 PolarHBondContact O-N 3.47Å; I194-C198 HydrophobicContact CB-CB 4.46Å; I194-I199 HydrophobicContact CD1-CB 4.16Å; I194-I199 HydrophobicContact CD1-CG1 4.03Å
195	H	84.4	Confident	79.9	Confident	25 Å²	25	49.5 Å²	49.5	12%	0.116	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	155.9	168.3	-60.4	105.6	0	0	0	112	C170 C173 E175 F176 V177 K197 C198 I199	C170-H195 VanDerWaalsContact CB-CE1 3.44Å; C170-H195 WeakPolarHBondContact CB-CE1 3.17Å; C170-H195 WeakPolarHBondContact CB-ND1 3.46Å; C173-H195 PolarHBondContact SG-CE1 3.23Å; C173-H195 PolarHBondContact SG-ND1 2.83Å; C173-H195 VanDerWaalsContact SG-ND1 3.35Å; E175-H195 PolarHBondContact O-CE1 3.3Å; F176-H195 VanDerWaalsContact C-NE2 3.32Å; F176-H195 PolarHBondContact O-NE2 3.29Å; V177-H195 WeakPolarHBondContact CA-NE2 3.19Å; H195-K197 HydrophobicContact CB-CG 3.78Å; H195-K197 PolarHBondContact O-N 3.41Å; H195-C198 HydrophobicContact CB-CB 4.14Å; H195-C198 PolarHBondContact O-N 3.26Å; H195-I199 PolarHBondContact O-N 3.03Å
196	K	81.2	Confident	79.1	Confident	127 Å²	127	49.2 Å²	49.2	55%	0.552	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-54.5	-38.6	168.4	-173.4	170.7	-172.4	-178.3	0	113.4	Y185 C198 I199	Y185-K196 HydrophobicContact CD2-CB 4.3Å; Y185-K196 HydrophobicContact CE2-CB 3.87Å; Y185-K196 HydrophobicContact CE2-CG 3.63Å; K196-C198 VanDerWaalsContact C-N 3.3Å; K196-C198 PolarHBondContact O-N 3.35Å; K196-I199 VanDerWaalsContact O-CG2 3.26Å; K196-I199 WeakPolarHBondContact O-CG2 3.46Å
197	K	80.3	Confident	78.3	Confident	155 Å²	155	48.4 Å²	48.4	67%	0.674	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-73.7	-14.9	176.6	65.8	177.8	179.2	179.7	0	114.6	H195	H195-K197 HydrophobicContact CB-CG 3.78Å; H195-K197 PolarHBondContact O-N 3.41Å
198	C	79	Confident	77	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.047	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-100.4	-1.7	-176.4	-65.3	0	0	0	0	112.3	V172 I194 H195 K196 D200 K201	V172-C198 HydrophobicContact CB-CB 4.17Å; V172-C198 HydrophobicContact CG1-CB 4.38Å; I194-C198 HydrophobicContact CB-CB 4.46Å; H195-C198 HydrophobicContact CB-CB 4.14Å; H195-C198 PolarHBondContact O-N 3.26Å; K196-C198 VanDerWaalsContact C-N 3.3Å; K196-C198 PolarHBondContact O-N 3.35Å; C198-D200 PolarHBondContact O-N 2.9Å; C198-K201 PolarHBondContact O-N 3.48Å; C198-K201 VanDerWaalsContact O-N 3.14Å
199	I	80.3	Confident	75.5	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.051	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.9	-40.5	-174.9	-160.1	-177.7	0	0	0	113	H152 I154 F159 Y185 I194 H195 K196 K201 I202	H152-I199 HydrophobicContact CB-CD1 3.81Å; I154-I199 HydrophobicContact CD1-CB 4.45Å; I154-I199 HydrophobicContact CD1-CD1 3.43Å; I154-I199 VanDerWaalsContact CD1-CD1 3.43Å; I154-I199 HydrophobicContact CD1-CG1 3.44Å; I154-I199 VanDerWaalsContact CD1-CG1 3.44Å; I154-I199 HydrophobicContact CD1-CG2 4.44Å; F159-I199 HydrophobicContact CB-CD1 4.32Å; F159-I199 HydrophobicContact CD2-CD1 4.48Å; F159-I199 HydrophobicContact CD2-CG1 4.29Å; Y185-I199 HydrophobicContact CD1-CD1 4.48Å; Y185-I199 HydrophobicContact CD2-CB 4.07Å; Y185-I199 HydrophobicContact CD2-CD1 3.67Å; Y185-I199 HydrophobicContact CD2-CG1 4.11Å; Y185-I199 HydrophobicContact CE1-CD1 4.48Å; Y185-I199 HydrophobicContact CE2-CB 4.21Å; Y185-I199 HydrophobicContact CE2-CD1 3.62Å; Y185-I199 HydrophobicContact CE2-CG1 4.36Å; Y185-I199 HydrophobicContact CE2-CG2 4.39Å; Y185-I199 HydrophobicContact CG-CD1 4.11Å; I194-I199 HydrophobicContact CD1-CB 4.16Å; I194-I199 HydrophobicContact CD1-CG1 4.03Å; H195-I199 PolarHBondContact O-N 3.03Å; K196-I199 VanDerWaalsContact O-CG2 3.26Å; K196-I199 WeakPolarHBondContact O-CG2 3.46Å; I199-K201 VanDerWaalsContact C-N 3.27Å; I199-K201 PolarHBondContact O-N 3.08Å; I199-I202 VanDerWaalsContact O-CG2 3.25Å; I199-I202 WeakPolarHBondContact O-CG2 3.18Å
200	D	75.3	Confident	73.7	Confident	137 Å²	137	49 Å²	49	73%	0.733	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-83.1	-5.9	178.9	-56.8	-46.5	0	0	0	113	C198	C198-D200 PolarHBondContact O-N 2.9Å
201	K	77.1	Confident	72.2	Confident	80 Å²	80	52.4 Å²	52.4	35%	0.348	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-94.1	0.2	178.4	-60.1	-169.2	176.7	-162.5	0	112.9	V172 C198 I199 I203 A286 E287	V172-K201 HydrophobicContact CG1-CB 4.08Å; C198-K201 PolarHBondContact O-N 3.48Å; C198-K201 VanDerWaalsContact O-N 3.14Å; I199-K201 VanDerWaalsContact C-N 3.27Å; I199-K201 PolarHBondContact O-N 3.08Å; K201-I203 PolarHBondContact O-N 2.9Å; K201-A286 HydrophobicContact CB-CB 4.42Å; K201-E287 IonicContact NZ-OE1 3.69Å
202	I	75.6	Confident	70.3	Confident	13 Å²	13	58 Å²	58	7%	0.067	33%	0.325	C	S	.	.			trans	-73.4	120.8	178.8	-162.1	168	0	0	0	110.6	I154 K155 F159 I199	I154-I202 HydrophobicContact CG2-CG2 3.6Å; K155-I202 HydrophobicContact CG-CG2 4.47Å; F159-I202 HydrophobicContact CE2-CD1 3.79Å; F159-I202 HydrophobicContact CZ-CD1 3.57Å; I199-I202 VanDerWaalsContact O-CG2 3.25Å; I199-I202 WeakPolarHBondContact O-CG2 3.18Å
203	I	69.9	Low	68.2	Low	42 Å²	42	61 Å²	61	22%	0.215	35%	0.346	C	S	.	.			trans	-97	-40.4	-179.4	-54.4	-179.3	0	0	0	110.8	K201 Q282 L285 A286 L289	K201-I203 PolarHBondContact O-N 2.9Å; I203-Q282 HydrophobicContact CD1-CB 4.48Å; I203-Q282 VanDerWaalsContact CD1-O 3.22Å; I203-Q282 WeakPolarHBondContact CD1-O 3.43Å; I203-L285 HydrophobicContact CD1-CB 3.73Å; I203-L285 HydrophobicContact CD1-CD2 3.83Å; I203-L285 HydrophobicContact CD1-CG 3.76Å; I203-L285 HydrophobicContact CG2-CD2 4.49Å; I203-A286 HydrophobicContact CD1-CB 3.88Å; I203-A286 HydrophobicContact CG1-CB 4.09Å; I203-L289 HydrophobicContact CD1-CD1 4.36Å
204	G	69	Low	66	Low	8 Å²	8	72 Å²	72	8%	0.082	39%	0.387	C	S	.	.	S	Bend	trans	-63	138.2	179.7	0	0	0	0	0	112.1	H157	H157-G204 PolarHBondContact NE2-O 2.88Å
205	R	71.9	Confident	63.8	Low	108 Å²	108	78.2 Å²	78.2	41%	0.408	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-81.8	148.7	170.1	-62.7	-172.2	-170.5	-163.3	6.4	109.9	K155 T207 Q219	K155-R205 VanDerWaalsContact O-CA 3.28Å; K155-R205 WeakPolarHBondContact O-CA 3.44Å; R205-T207 PolarHBondContact O-N 3.32Å; R205-Q219 PolarHBondContact NH2-O 2.96Å
206	C	69.3	Low	61.7	Low	10 Å²	10	80.4 Å²	80.4	7%	0.068	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-65.4	122.9	176.2	-161.6	0	0	0	0	110.5	K155 N156 H157 C190 G208	K155-C206 PolarHBondContact O-N 3.49Å; N156-C206 VanDerWaalsContact C-CB 3.4Å; N156-C206 HydrophobicContact CB-CB 4.12Å; N156-C206 WeakPolarHBondContact O-CB 3.38Å; H157-C206 HydrophobicContact CB-CB 4.27Å; H157-C206 PolarHBondContact CD2-N 2.61Å; H157-C206 PolarHBondContact ND1-SG 3.49Å; H157-C206 VanDerWaalsContact NE2-CA 3.34Å; H157-C206 WeakPolarHBondContact NE2-CA 3.19Å; H157-C206 PolarHBondContact NE2-N 3.39Å; H157-C206 VanDerWaalsContact NE2-N 3.15Å; C190-C206 VanDerWaalsContact SG-SG 3.64Å; C206-G208 VanDerWaalsContact C-N 3.32Å
207	T	68.2	Low	59.9	Low	55 Å²	55	79.2 Å²	79.2	34%	0.337	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-81.9	-13.6	175.9	56.5	0	0	0	0	112.4	R205 T209 D272 K273	R205-T207 PolarHBondContact O-N 3.32Å; T207-T209 VanDerWaalsContact C-N 3.29Å; T207-T209 PolarHBondContact O-N 3.49Å; T207-D272 PolarHBondContact OG1-O 3.21Å; T207-K273 VanDerWaalsContact OG1-CA 3.31Å; T207-K273 WeakPolarHBondContact OG1-CA 3.35Å; T207-K273 PolarHBondContact OG1-O 3.35Å
208	G	57	Low	57.9	Low	44 Å²	44	80.4 Å²	80.4	45%	0.454	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-76.5	-2.2	-178	0	0	0	0	0	116.1	C206	C206-G208 VanDerWaalsContact C-N 3.32Å
209	T	48.3	Very low	56	Low	61 Å²	61	86.6 Å²	86.6	37%	0.374	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-109.8	11.1	177.1	-2.2	0	0	0	0	113.7	N156 Q189 T207 A211	N156-T209 PolarHBondContact O-OG1 2.89Å; Q189-T209 PolarHBondContact OE1-OG1 3.01Å; T207-T209 VanDerWaalsContact C-N 3.29Å; T207-T209 PolarHBondContact O-N 3.49Å; T209-A211 PolarHBondContact O-N 2.94Å
210	A	41.4	Very low	54.2	Low	99 Å²	99	93.6 Å²	93.6	82%	0.818	50%	0.503	S	S	*	.			trans	-75.7	53.7	178.8	0	0	0	0	0	112.5
211	A	44.3	Very low	52.7	Low	72 Å²	72	94.4 Å²	94.4	60%	0.595	50%	0.502	S	S	*	.	S	Bend	trans	-141.2	108	156	0	0	0	0	0	107.3	T209	T209-A211 PolarHBondContact O-N 2.94Å
212	N	43.8	Very low	51.1	Low	164 Å²	164	101.3 Å²	101.3	88%	0.877	53%	0.526	S	S	*	.	S	Bend	trans	88.2	81.1	164.7	-46.5	-27	0	0	0	118.1
213	S	40.1	Very low	49.7	Very low	63 Å²	63	108.6 Å²	108.6	44%	0.441	56%	0.557	S	S	.	*				-170.4	143.6	123.7	64.6	0	0	0	0	111.7	D215 T216	S213-D215 PolarHBondContact O-N 3.38Å; S213-D215 VanDerWaalsContact O-N 3.13Å; S213-T216 PolarHBondContact O-N 3.21Å; S213-T216 PolarHBondContact O-OG1 3.16Å
214	R	41.7	Very low	48.5	Very low	232 Å²	232	115.3 Å²	115.3	88%	0.875	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-62.2	-14.5	177.7	-67.8	169.1	95	169.4	3.8	112.8	T216 V217	R214-T216 VanDerWaalsContact C-N 3.31Å; R214-T216 PolarHBondContact O-N 2.93Å; R214-V217 PolarHBondContact O-N 3.46Å
215	D	42.8	Very low	47.8	Very low	130 Å²	130	118.7 Å²	118.7	70%	0.695	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-75.5	-16.2	178.5	-63.8	-46.3	0	0	0	113.8	S213 V217	S213-D215 PolarHBondContact O-N 3.38Å; S213-D215 VanDerWaalsContact O-N 3.13Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 PolarHBondContact O-N 3.42Å
216	T	39.7	Very low	47	Very low	72 Å²	72	118.8 Å²	118.8	44%	0.442	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-74.6	-14.1	174.5	52.8	0	0	0	0	113.8	S213 R214	S213-T216 PolarHBondContact O-N 3.21Å; S213-T216 PolarHBondContact O-OG1 3.16Å; R214-T216 VanDerWaalsContact C-N 3.31Å; R214-T216 PolarHBondContact O-N 2.93Å
217	V	43.4	Very low	47	Very low	102 Å²	102	123.4 Å²	123.4	62%	0.618	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-33.1	-179.5	-178.7	0	0	0	0	111.8	R214 D215	R214-V217 PolarHBondContact O-N 3.46Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 PolarHBondContact O-N 3.42Å
218	F	38.5	Very low	47.4	Very low	179 Å²	179	124.8 Å²	124.8	79%	0.785	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-18.3	-171.7	-109.1	-86.2	0	0	0	115.4
219	Q	38.8	Very low	48.5	Very low	137 Å²	137	124.2 Å²	124.2	64%	0.64	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	14	179.7	-76.8	-173.3	-11.6	0	0	114.1	R205 E221	R205-Q219 PolarHBondContact NH2-O 2.96Å; Q219-E221 PolarHBondContact O-N 2.92Å
220	K	42.8	Very low	50.3	Low	157 Å²	157	128.8 Å²	128.8	68%	0.683	64%	0.637	S	S	*	*	S	Bend	trans	-79.5	2.8	179.4	-127.2	178.3	-178.9	-175.1	0	113.6
221	E	43.8	Very low	52.6	Low	154 Å²	154	125.5 Å²	125.5	72%	0.72	60%	0.604	S	S	*	*	S	Bend	trans	-111.3	5.1	-159.4	-71.1	-159.9	147.1	0	0	118.7	Q219	Q219-E221 PolarHBondContact O-N 2.92Å
222	R	43.7	Very low	54.6	Low	225 Å²	225	127.4 Å²	127.4	85%	0.849	60%	0.599	S	S	*	*	S	Bend	trans	-110.7	-14.9	-177.7	-114.9	179.2	177.6	120	-0.5	119.2
223	F	45.3	Very low	56.7	Low	166 Å²	166	124.1 Å²	124.1	73%	0.728	58%	0.58	S	S	*	*			trans	-154.3	90.3	168.2	-63.9	-78.3	0	0	0	108.1	I225	F223-I225 VanDerWaalsContact C-N 3.25Å; F223-I225 PolarHBondContact O-N 2.91Å
224	K	45.6	Very low	58.4	Low	183 Å²	183	126 Å²	126	80%	0.796	58%	0.579	S	S	*	*			trans	-72.2	81.3	177.7	-73.5	-178	-179.6	175.5	0	109.7
225	I	53.9	Low	60.2	Low	80 Å²	80	117.8 Å²	117.8	41%	0.41	55%	0.552	S	S	.	*			trans	-106.1	94.8	164.4	-54.4	178	0	0	0	106.1	F223 L277 I280 L285	F223-I225 VanDerWaalsContact C-N 3.25Å; F223-I225 PolarHBondContact O-N 2.91Å; I225-L277 HydrophobicContact CB-CD2 4.26Å; I225-L277 HydrophobicContact CG2-CD2 3.7Å; I225-I280 HydrophobicContact CG2-CD1 3.28Å; I225-L285 HydrophobicContact CD1-CD2 4.3Å
226	D	55.4	Low	61.8	Low	110 Å²	110	112.2 Å²	112.2	59%	0.588	52%	0.521	S	S	*	.			trans	-128.1	77.1	177.4	-171.8	20.2	0	0	0	107.2	P228 N276	D226-P228 WeakPolarHBondContact O-CD 3.45Å; D226-N276 WeakPolarHBondContact OD1-CB 3.49Å; D226-N276 PolarHBondContact OD1-ND2 3.45Å
227	M	69.3	Low	62.9	Low	107 Å²	107	117 Å²	117	53%	0.527	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-107	96.5	-179.6	-167.8	172.1	-80.9	0	0	108.4	N276 L277 C278	M227-N276 PolarHBondContact N-O 2.87Å; M227-N276 CarbonylContact O-C 3.33Å; M227-N276 WeakPolarHBondContact O-CA 3.41Å; M227-L277 PolarHBondContact O-N 3.09Å; M227-C278 HydrophobicContact CG-CB 4.18Å; M227-C278 VanDerWaalsContact O-CB 3.29Å; M227-C278 WeakPolarHBondContact O-CB 3.43Å; M227-C278 PolarHBondContact O-N 2.84Å
228	P	76.3	Confident	64.1	Low	84 Å²	84	115.1 Å²	115.1	55%	0.545	53%	0.532	S	S	.	.			trans	-68.5	146.7	-173.3	28.3	-35	0	0	0	111.4	D226	D226-P228 WeakPolarHBondContact O-CD 3.45Å
229	H	79.3	Confident	65.9	Low	31 Å²	31	111.6 Å²	111.6	14%	0.144	53%	0.527	C	S	.	.			trans	-78.4	135.8	174.7	-73.7	-95	0	0	0	111.3	F231 C259 C262 M264 A275 C278	H229-F231 HydrophobicContact CB-CD2 3.63Å; H229-F231 HydrophobicContact CB-CE1 4.29Å; H229-F231 HydrophobicContact CB-CE2 3.21Å; H229-F231 HydrophobicContact CB-CG 4.35Å; H229-F231 HydrophobicContact CB-CZ 3.57Å; H229-F231 AromaticContact CG-CE2 3.81Å; H229-F231 AromaticContact CG-CZ 3.75Å; H229-F231 AromaticContact ND1-CZ 3.97Å; H229-F231 PolarHBondContact O-N 3.43Å; H229-C259 PolarHBondContact ND1-SG 3.11Å; H229-C262 PolarHBondContact CE1-SG 3.39Å; H229-C262 PolarHBondContact ND1-SG 3.16Å; H229-M264 VanDerWaalsContact CE1-SD 3.58Å; H229-A275 PolarHBondContact CD2-O 2.87Å; H229-A275 PolarHBondContact NE2-O 2.84Å; H229-C278 HydrophobicContact CB-CB 4.39Å; H229-C278 VanDerWaalsContact CE1-CA 3.44Å; H229-C278 WeakPolarHBondContact CE1-CA 3.32Å; H229-C278 PolarHBondContact NE2-N 2.82Å
230	R	86.6	Confident	67.7	Low	158 Å²	158	106.1 Å²	106.1	60%	0.596	50%	0.503	S	S	*	.			trans	-92.5	83.7	170.9	-169.8	-177.4	-63.4	-131	-2.2	110.6	C259 E260 D261	R230-C259 PolarHBondContact N-SG 2.8Å; R230-C259 CarbonylContact O-C 3.36Å; R230-C259 WeakPolarHBondContact O-CA 3.45Å; R230-E260 WeakPolarHBondContact CD-OE2 3.49Å; R230-E260 PolarHBondContact O-N 2.75Å; R230-D261 VanDerWaalsContact CB-OD2 3.27Å; R230-D261 WeakPolarHBondContact CB-OD2 3.43Å
231	F	89.7	Confident	69.8	Low	30 Å²	30	101.3 Å²	101.3	13%	0.132	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.6	179.5	-73.6	-63.1	0	0	0	112.2	H229 L257 C259 M264 V266 Q271 V274	H229-F231 HydrophobicContact CB-CD2 3.63Å; H229-F231 HydrophobicContact CB-CE1 4.29Å; H229-F231 HydrophobicContact CB-CE2 3.21Å; H229-F231 HydrophobicContact CB-CG 4.35Å; H229-F231 HydrophobicContact CB-CZ 3.57Å; H229-F231 AromaticContact CG-CE2 3.81Å; H229-F231 AromaticContact CG-CZ 3.75Å; H229-F231 AromaticContact ND1-CZ 3.97Å; H229-F231 PolarHBondContact O-N 3.43Å; F231-L257 HydrophobicContact CB-CB 4.04Å; F231-L257 HydrophobicContact CB-CD1 4.35Å; F231-L257 HydrophobicContact CD1-CB 4.07Å; F231-L257 HydrophobicContact CG-CB 4.3Å; F231-C259 HydrophobicContact CD1-CB 3.87Å; F231-C259 HydrophobicContact CE1-CB 3.7Å; F231-C259 HydrophobicContact CZ-CB 4.45Å; F231-M264 HydrophobicContact CE1-CB 4.38Å; F231-M264 HydrophobicContact CZ-SD 4.32Å; F231-V266 HydrophobicContact CD1-CG2 3.81Å; F231-V266 HydrophobicContact CE1-CB 4.45Å; F231-V266 HydrophobicContact CE1-CG1 4.1Å; F231-V266 HydrophobicContact CE1-CG2 3.52Å; F231-V266 HydrophobicContact CE2-CG2 4.27Å; F231-V266 HydrophobicContact CG-CG2 4.35Å; F231-V266 HydrophobicContact CZ-CG1 4.04Å; F231-V266 HydrophobicContact CZ-CG2 3.77Å; F231-Q271 HydrophobicContact CB-CG 4.48Å; F231-Q271 HydrophobicContact CD2-CG 3.84Å; F231-Q271 HydrophobicContact CE2-CG 4.49Å; F231-Q271 HydrophobicContact CG-CG 4.42Å; F231-V274 HydrophobicContact CZ-CG1 4.41Å
232	K	85.8	Confident	71.8	Confident	111 Å²	111	94 Å²	94	48%	0.483	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150	167.5	-72.1	-163.5	-176.1	154.7	0	110.9	Y234 L257 K258 E260	K232-Y234 PolarHBondContact O-N 3.46Å; K232-L257 CarbonylContact O-C 3.51Å; K232-L257 VanDerWaalsContact O-CA 3.26Å; K232-L257 WeakPolarHBondContact O-CA 3.42Å; K232-K258 PolarHBondContact N-O 3.15Å; K232-K258 PolarHBondContact O-N 3Å; K232-E260 HydrophobicContact CB-CG 4.46Å; K232-E260 VanDerWaalsContact CD-CD 3.41Å; K232-E260 HydrophobicContact CD-CG 4.13Å; K232-E260 WeakPolarHBondContact CD-OE1 3.44Å; K232-E260 WeakPolarHBondContact CE-OE1 3.34Å; K232-E260 WeakPolarHBondContact CE-OE2 3.38Å; K232-E260 HydrophobicContact CG-CG 4.1Å; K232-E260 IonicContact NZ-OE1 3.7Å; K232-E260 PolarHBondContact NZ-OE1 2.84Å; K232-E260 IonicContact NZ-OE2 2.81Å; K232-E260 PolarHBondContact NZ-OE2 2.97Å
233	I	87.6	Confident	73.8	Confident	95 Å²	95	85 Å²	85	49%	0.487	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.5	174.3	-55.4	-177.7	0	0	0	108.8	K254 L257	I233-K254 HydrophobicContact CG2-CB 3.55Å; I233-K254 HydrophobicContact CG2-CD 3.86Å; I233-K254 HydrophobicContact CG2-CG 3.5Å; I233-L257 HydrophobicContact CB-CD2 4.43Å; I233-L257 HydrophobicContact CG1-CD2 3.79Å
234	Y	77.6	Confident	75.7	Confident	104 Å²	104	77.9 Å²	77.9	41%	0.408	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.9	-175.7	-165.5	-95.5	0	0	0	110.6	K232 Y236 G256 K258	K232-Y234 PolarHBondContact O-N 3.46Å; Y234-Y236 AromaticContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD2 4.07Å; Y234-Y236 AromaticContact CD1-CE1 3.63Å; Y234-Y236 HydrophobicContact CD1-CE1 3.63Å; Y234-Y236 HydrophobicContact CD1-CE2 4.02Å; Y234-Y236 AromaticContact CD1-CG 3.96Å; Y234-Y236 HydrophobicContact CD1-CG 3.96Å; Y234-Y236 AromaticContact CD1-CZ 3.82Å; Y234-Y236 HydrophobicContact CE1-CD1 4.07Å; Y234-Y236 HydrophobicContact CE1-CE1 4.22Å; Y234-Y236 HydrophobicContact CE1-CG 4.49Å; Y234-Y236 WeakPolarHBondContact O-CD2 3.43Å; Y234-G256 PolarHBondContact N-O 2.83Å; Y234-K258 HydrophobicContact CD1-CB 4.39Å; Y234-K258 HydrophobicContact CD1-CD 4.08Å; Y234-K258 HydrophobicContact CD2-CB 4.15Å; Y234-K258 HydrophobicContact CD2-CD 4Å; Y234-K258 HydrophobicContact CE1-CD 4.17Å; Y234-K258 HydrophobicContact CE2-CD 4.08Å; Y234-K258 HydrophobicContact CG-CB 3.79Å; Y234-K258 HydrophobicContact CG-CD 3.99Å
235	N	78.8	Confident	77.4	Confident	59 Å²	59	69.8 Å²	69.8	32%	0.316	35%	0.352	S	S	.	.			trans	-97.7	112.2	174.8	-62.6	-17	0	0	0	107.8	M237 V253 K254	N235-M237 HydrophobicContact CB-CE 3.97Å; N235-V253 WeakPolarHBondContact ND2-CG1 3.29Å; N235-V253 WeakPolarHBondContact OD1-CG1 3.47Å; N235-K254 VanDerWaalsContact OD1-CA 3.24Å; N235-K254 WeakPolarHBondContact OD1-CA 3.21Å; N235-K254 VanDerWaalsContact OD1-CG 3.26Å; N235-K254 WeakPolarHBondContact OD1-CG 3.44Å; N235-K254 PolarHBondContact OD1-N 3.1Å
236	Y	75.6	Confident	78.6	Confident	13 Å²	13	66 Å²	66	5%	0.051	33%	0.333	C	S	.	.			trans	-86.8	128.9	179.5	-62.2	-88.3	0	0	0	108.8	Y234 T240 L249 Q255 L257 N265	Y234-Y236 AromaticContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD1 3.72Å; Y234-Y236 HydrophobicContact CD1-CD2 4.07Å; Y234-Y236 AromaticContact CD1-CE1 3.63Å; Y234-Y236 HydrophobicContact CD1-CE1 3.63Å; Y234-Y236 HydrophobicContact CD1-CE2 4.02Å; Y234-Y236 AromaticContact CD1-CG 3.96Å; Y234-Y236 HydrophobicContact CD1-CG 3.96Å; Y234-Y236 AromaticContact CD1-CZ 3.82Å; Y234-Y236 HydrophobicContact CE1-CD1 4.07Å; Y234-Y236 HydrophobicContact CE1-CE1 4.22Å; Y234-Y236 HydrophobicContact CE1-CG 4.49Å; Y234-Y236 WeakPolarHBondContact O-CD2 3.43Å; Y236-T240 HydrophobicContact CD1-CG2 3.65Å; Y236-T240 WeakPolarHBondContact CD1-OG1 3.42Å; Y236-T240 HydrophobicContact CE1-CG2 3.79Å; Y236-T240 HydrophobicContact CG-CG2 4.43Å; Y236-L249 HydrophobicContact CD2-CD1 4.25Å; Y236-L249 HydrophobicContact CE1-CD1 4.28Å; Y236-L249 HydrophobicContact CE2-CD1 3.83Å; Y236-Q255 HydrophobicContact CD2-CB 4Å; Y236-Q255 PolarHBondContact O-NE2 2.98Å; Y236-L257 PolarHBondContact OH-O 3.46Å; Y236-N265 HydrophobicContact CE1-CB 4.02Å; Y236-N265 VanDerWaalsContact CE1-OD1 3.3Å; Y236-N265 WeakPolarHBondContact CE1-OD1 3.32Å; Y236-N265 WeakPolarHBondContact OH-CB 3.39Å; Y236-N265 PolarHBondContact OH-OD1 2.98Å; Y236-N265 VanDerWaalsContact OH-OD1 3.11Å
237	M	63.7	Low	79.8	Confident	171 Å²	171	61.8 Å²	61.8	84%	0.842	31%	0.312	S	S	*	.	S	Bend	trans	-93	-2.8	-176.7	-58	-58	171.4	0	0	112.7	N235	N235-M237 HydrophobicContact CB-CE 3.97Å
238	S	69	Low	80.4	Confident	64 Å²	64	58.5 Å²	58.5	45%	0.448	30%	0.296	S	S	.	.	S	Bend	trans	-139.6	158.9	175.5	60.4	0	0	0	0	110.5	T240	S238-T240 PolarHBondContact O-N 2.74Å; S238-T240 PolarHBondContact O-OG1 3.17Å
239	P	75.1	Confident	80.6	Confident	104 Å²	104	54.9 Å²	54.9	68%	0.675	27%	0.272	S	S	*	.			trans	-56.9	101.8	177.6	-24.1	34.4	0	0	0	111.6	L248	P239-L248 HydrophobicContact CB-CD1 3.76Å
240	T	76.9	Confident	79.9	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.141	30%	0.3	C	S	.	.			trans	-108.5	140.7	-174.5	-55.2	0	0	0	0	110.4	Y236 S238 L248 L249 N265	Y236-T240 HydrophobicContact CD1-CG2 3.65Å; Y236-T240 WeakPolarHBondContact CD1-OG1 3.42Å; Y236-T240 HydrophobicContact CE1-CG2 3.79Å; Y236-T240 HydrophobicContact CG-CG2 4.43Å; S238-T240 PolarHBondContact O-N 2.74Å; S238-T240 PolarHBondContact O-OG1 3.17Å; T240-L248 WeakPolarHBondContact O-CD1 3.44Å; T240-L249 HydrophobicContact CG2-CD1 3.96Å; T240-L249 VanDerWaalsContact O-CB 3.23Å; T240-L249 WeakPolarHBondContact O-CB 3.43Å; T240-L249 WeakPolarHBondContact O-CG 3.44Å; T240-L249 PolarHBondContact O-N 2.77Å; T240-N265 HydrophobicContact CG2-CB 4.14Å
241	F	86.3	Confident	78.4	Confident	56 Å²	56	57.4 Å²	57.4	25%	0.246	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-100	149.4	-178.7	-63.2	-99.5	0	0	0	111.6	P167 F169 D243 L248	P167-F241 HydrophobicContact CB-CE1 4.48Å; F169-F241 HydrophobicContact CD2-CB 3.75Å; F169-F241 AromaticContact CD2-CD1 3.89Å; F169-F241 HydrophobicContact CD2-CD1 3.89Å; F169-F241 HydrophobicContact CD2-CD2 4.07Å; F169-F241 AromaticContact CD2-CG 3.63Å; F169-F241 HydrophobicContact CD2-CG 3.63Å; F169-F241 HydrophobicContact CE2-CB 4.02Å; F169-F241 AromaticContact CE2-CD1 3.85Å; F169-F241 HydrophobicContact CE2-CD1 3.85Å; F169-F241 AromaticContact CE2-CD2 3.43Å; F169-F241 HydrophobicContact CE2-CD2 3.43Å; F169-F241 VanDerWaalsContact CE2-CD2 3.43Å; F169-F241 HydrophobicContact CE2-CE1 4.15Å; F169-F241 AromaticContact CE2-CE2 3.78Å; F169-F241 HydrophobicContact CE2-CE2 3.78Å; F169-F241 AromaticContact CE2-CG 3.48Å; F169-F241 HydrophobicContact CE2-CG 3.48Å; F169-F241 VanDerWaalsContact CE2-CG 3.48Å; F169-F241 HydrophobicContact CE2-CZ 4.12Å; F169-F241 HydrophobicContact CZ-CD2 4.31Å; F241-D243 PolarHBondContact O-N 2.91Å; F241-L248 HydrophobicContact CD1-CB 4.05Å; F241-L248 HydrophobicContact CD1-CD1 4.05Å; F241-L248 HydrophobicContact CD2-CD1 4.03Å; F241-L248 HydrophobicContact CE1-CB 3.93Å; F241-L248 HydrophobicContact CE1-CD1 3.79Å; F241-L248 HydrophobicContact CE1-CG 4.46Å; F241-L248 HydrophobicContact CE2-CD1 3.77Å; F241-L248 HydrophobicContact CG-CD1 4.17Å; F241-L248 HydrophobicContact CZ-CD1 3.64Å
242	C	86.8	Confident	76.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	33%	0.331	C	S	.	.			trans	-72.4	121.9	173.9	178.1	0	0	0	0	110.2	H244 C245 G246 S247 L249 N265 H267	C242-H244 PolarHBondContact O-N 3.16Å; C242-H244 VanDerWaalsContact O-N 3.11Å; C242-C245 VanDerWaalsContact CB-SG 3.59Å; C242-G246 WeakPolarHBondContact O-CA 3.39Å; C242-G246 PolarHBondContact O-N 3.02Å; C242-S247 VanDerWaalsContact CB-O 3.31Å; C242-S247 WeakPolarHBondContact CB-O 3.09Å; C242-S247 PolarHBondContact N-O 2.88Å; C242-L249 HydrophobicContact CB-CD2 4.18Å; C242-L249 HydrophobicContact CB-CG 4.48Å; C242-N265 CarbonylContact C-O 3.59Å; C242-N265 WeakPolarHBondContact CA-O 2.96Å; C242-H267 WeakPolarHBondContact CB-CE1 3.28Å; C242-H267 WeakPolarHBondContact CB-ND1 3Å; C242-H267 PolarHBondContact SG-ND1 3.33Å
243	D	85.2	Confident	75.3	Confident	35 Å²	35	63 Å²	63	19%	0.187	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.6	179.6	-71.8	-46.8	0	0	0	113.5	S171 F241 M264 N265	S171-D243 WeakPolarHBondContact CA-O 3.43Å; S171-D243 VanDerWaalsContact CB-O 3.26Å; S171-D243 WeakPolarHBondContact CB-O 3.26Å; F241-D243 PolarHBondContact O-N 2.91Å; D243-M264 HydrophobicContact CB-CE 3.69Å; D243-M264 HydrophobicContact CB-CG 3.78Å; D243-M264 WeakPolarHBondContact OD2-CA 3.23Å; D243-M264 WeakPolarHBondContact OD2-CG 3.31Å; D243-N265 PolarHBondContact N-O 3.48Å; D243-N265 PolarHBondContact OD2-N 3.2Å
244	H	84.6	Confident	74.6	Confident	16 Å²	16	64.5 Å²	64.5	7%	0.074	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-58.3	179.6	179.3	68.5	0	0	0	113	C190 A192 C242 M264 V266 K273 V274	C190-H244 PolarHBondContact O-NE2 3.46Å; A192-H244 WeakPolarHBondContact CA-O 3.48Å; C242-H244 PolarHBondContact O-N 3.16Å; C242-H244 VanDerWaalsContact O-N 3.11Å; H244-M264 HydrophobicContact CB-CE 4.4Å; H244-V266 HydrophobicContact CB-CG1 4.4Å; H244-K273 PolarHBondContact CE1-O 3.37Å; H244-K273 PolarHBondContact NE2-O 2.85Å; H244-V274 HydrophobicContact CB-CG2 3.92Å
245	C	81.7	Confident	74.7	Confident	13 Å²	13	60.4 Å²	60.4	9%	0.088	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3	-178	74	0	0	0	0	113.5	C242 S247 H267	C242-C245 VanDerWaalsContact CB-SG 3.59Å; C245-S247 PolarHBondContact O-N 2.9Å; C245-S247 VanDerWaalsContact O-N 3.12Å; C245-S247 PolarHBondContact O-OG 2.8Å; C245-H267 PolarHBondContact SG-CE1 3.05Å; C245-H267 PolarHBondContact SG-ND1 2.8Å
246	G	78.9	Confident	75.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.			trans	70.3	0.4	177.4	0	0	0	0	0	115.1	T168 F169 C242	T168-G246 WeakPolarHBondContact CA-O 3.35Å; F169-G246 PolarHBondContact N-O 3.43Å; F169-G246 VanDerWaalsContact N-O 3.17Å; F169-G246 WeakPolarHBondContact O-CA 3.31Å; C242-G246 WeakPolarHBondContact O-CA 3.39Å; C242-G246 PolarHBondContact O-N 3.02Å
247	S	81.2	Confident	75.8	Confident	23 Å²	23	57.3 Å²	57.3	16%	0.161	31%	0.307	C	S	.	.			trans	-97	155.8	-174.4	-53	0	0	0	0	111.9	Q166 C242 C245 H267	Q166-S247 PolarHBondContact NE2-OG 3.29Å; C242-S247 VanDerWaalsContact CB-O 3.31Å; C242-S247 WeakPolarHBondContact CB-O 3.09Å; C242-S247 PolarHBondContact N-O 2.88Å; C245-S247 PolarHBondContact O-N 2.9Å; C245-S247 VanDerWaalsContact O-N 3.12Å; C245-S247 PolarHBondContact O-OG 2.8Å; S247-H267 PolarHBondContact O-CE1 3.08Å
248	L	81.1	Confident	77.1	Confident	37 Å²	37	52.1 Å²	52.1	19%	0.194	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-60.9	140.7	-176.7	-167.3	70.5	0	0	0	113	P239 T240 F241 W250 H267	P239-L248 HydrophobicContact CB-CD1 3.76Å; T240-L248 WeakPolarHBondContact O-CD1 3.44Å; F241-L248 HydrophobicContact CD1-CB 4.05Å; F241-L248 HydrophobicContact CD1-CD1 4.05Å; F241-L248 HydrophobicContact CD2-CD1 4.03Å; F241-L248 HydrophobicContact CE1-CB 3.93Å; F241-L248 HydrophobicContact CE1-CD1 3.79Å; F241-L248 HydrophobicContact CE1-CG 4.46Å; F241-L248 HydrophobicContact CE2-CD1 3.77Å; F241-L248 HydrophobicContact CG-CD1 4.17Å; F241-L248 HydrophobicContact CZ-CD1 3.64Å; L248-W250 HydrophobicContact CD2-CD2 4.37Å; L248-W250 HydrophobicContact CD2-CE3 4.49Å; L248-W250 HydrophobicContact CD2-CH2 4.33Å; L248-W250 HydrophobicContact CD2-CZ2 4.2Å; L248-W250 HydrophobicContact CD2-CZ3 4.47Å; L248-W250 PolarHBondContact O-N 2.86Å; L248-H267 PolarHBondContact O-NE2 2.92Å
249	L	80.4	Confident	77.9	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.042	26%	0.259	C	S	.	.			trans	-82	100.3	171.4	-65.2	165.4	0	0	0	109	Y236 T240 C242 Q255 N265 H267	Y236-L249 HydrophobicContact CD2-CD1 4.25Å; Y236-L249 HydrophobicContact CE1-CD1 4.28Å; Y236-L249 HydrophobicContact CE2-CD1 3.83Å; T240-L249 HydrophobicContact CG2-CD1 3.96Å; T240-L249 VanDerWaalsContact O-CB 3.23Å; T240-L249 WeakPolarHBondContact O-CB 3.43Å; T240-L249 WeakPolarHBondContact O-CG 3.44Å; T240-L249 PolarHBondContact O-N 2.77Å; C242-L249 HydrophobicContact CB-CD2 4.18Å; C242-L249 HydrophobicContact CB-CG 4.48Å; L249-Q255 HydrophobicContact CB-CB 4.07Å; L249-N265 HydrophobicContact CD1-CB 4.03Å; L249-H267 HydrophobicContact CD2-CB 4.17Å; L249-H267 WeakPolarHBondContact CD2-CD2 3.04Å
250	W	64.8	Low	78.4	Confident	192 Å²	192	48.8 Å²	48.8	73%	0.727	25%	0.248	S	C	*	.			trans	-78.7	140.7	-174	-68.5	93.2	0	0	0	113.2	L248	L248-W250 HydrophobicContact CD2-CD2 4.37Å; L248-W250 HydrophobicContact CD2-CE3 4.49Å; L248-W250 HydrophobicContact CD2-CH2 4.33Å; L248-W250 HydrophobicContact CD2-CZ2 4.2Å; L248-W250 HydrophobicContact CD2-CZ3 4.47Å; L248-W250 PolarHBondContact O-N 2.86Å
251	G	54.9	Low	78.6	Confident	50 Å²	50	52.7 Å²	52.7	52%	0.515	27%	0.268	S	S	.	.	S	Bend	trans	128.8	168.1	170.8	0	0	0	0	0	113.9	Q255	G251-Q255 WeakPolarHBondContact O-CG 3.48Å; G251-Q255 PolarHBondContact O-NE2 2.74Å
252	L	54.3	Low	78.2	Confident	166 Å²	166	51.8 Å²	51.8	87%	0.869	27%	0.269	S	S	*	.	S	Bend	trans	-92.6	-24	178.1	-65.2	172.4	0	0	0	113	Q255	L252-Q255 PolarHBondContact O-NE2 2.87Å
253	V	57.1	Low	78.2	Confident	93 Å²	93	54.2 Å²	54.2	56%	0.564	29%	0.288	S	S	*	.	S	Bend	trans	-148.8	144.5	-178.6	-163.4	0	0	0	0	108.5	N235 Q255	N235-V253 WeakPolarHBondContact ND2-CG1 3.29Å; N235-V253 WeakPolarHBondContact OD1-CG1 3.47Å; V253-Q255 VanDerWaalsContact C-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.72Å
254	K	73.1	Confident	78.2	Confident	127 Å²	127	53.3 Å²	53.3	55%	0.552	28%	0.284	S	S	*	.	S	Bend	trans	54.9	36.4	179.9	-59.9	-177.7	176.3	-179.6	0	113.5	I233 N235 G256 H268	I233-K254 HydrophobicContact CG2-CB 3.55Å; I233-K254 HydrophobicContact CG2-CD 3.86Å; I233-K254 HydrophobicContact CG2-CG 3.5Å; N235-K254 VanDerWaalsContact OD1-CA 3.24Å; N235-K254 WeakPolarHBondContact OD1-CA 3.21Å; N235-K254 VanDerWaalsContact OD1-CG 3.26Å; N235-K254 WeakPolarHBondContact OD1-CG 3.44Å; N235-K254 PolarHBondContact OD1-N 3.1Å; K254-G256 PolarHBondContact O-N 3.49Å; K254-G256 VanDerWaalsContact O-N 3.1Å; K254-H268 PolarHBondContact O-NE2 2.98Å
255	Q	80	Confident	78.5	Confident	18 Å²	18	54 Å²	54	8%	0.084	29%	0.287	C	S	.	.			trans	-59.7	-26.5	-172.3	-56.7	91.5	-31.5	0	0	113.4	Y236 L249 G251 L252 V253	Y236-Q255 HydrophobicContact CD2-CB 4Å; Y236-Q255 PolarHBondContact O-NE2 2.98Å; L249-Q255 HydrophobicContact CB-CB 4.07Å; G251-Q255 WeakPolarHBondContact O-CG 3.48Å; G251-Q255 PolarHBondContact O-NE2 2.74Å; L252-Q255 PolarHBondContact O-NE2 2.87Å; V253-Q255 VanDerWaalsContact C-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.72Å
256	G	86.9	Confident	78.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	-162.7	179.3	0	0	0	0	0	112.8	Y234 K254 V266	Y234-G256 PolarHBondContact N-O 2.83Å; K254-G256 PolarHBondContact O-N 3.49Å; K254-G256 VanDerWaalsContact O-N 3.1Å; G256-V266 WeakPolarHBondContact CA-O 3.46Å
257	L	89.6	Confident	79.3	Confident	6 Å²	6	54.4 Å²	54.4	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.3	179.9	-59.9	163.8	0	0	0	109.2	F231 K232 I233 Y236 N265 V266 Q271	F231-L257 HydrophobicContact CB-CB 4.04Å; F231-L257 HydrophobicContact CB-CD1 4.35Å; F231-L257 HydrophobicContact CD1-CB 4.07Å; F231-L257 HydrophobicContact CG-CB 4.3Å; K232-L257 CarbonylContact O-C 3.51Å; K232-L257 VanDerWaalsContact O-CA 3.26Å; K232-L257 WeakPolarHBondContact O-CA 3.42Å; I233-L257 HydrophobicContact CB-CD2 4.43Å; I233-L257 HydrophobicContact CG1-CD2 3.79Å; Y236-L257 PolarHBondContact OH-O 3.46Å; L257-N265 WeakPolarHBondContact O-CA 3.24Å; L257-V266 HydrophobicContact CB-CG2 3.91Å; L257-V266 HydrophobicContact CD1-CG2 4.29Å; L257-V266 PolarHBondContact N-O 3.46Å; L257-V266 PolarHBondContact O-N 3.43Å; L257-Q271 HydrophobicContact CD1-CB 3.61Å; L257-Q271 HydrophobicContact CD1-CG 3.82Å
258	K	90.4	Very high	79.5	Confident	62 Å²	62	57 Å²	57	27%	0.27	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.6	173	-172.7	168.3	-177.9	-180	0	109.2	K232 Y234 M264 N265	K232-K258 PolarHBondContact N-O 3.15Å; K232-K258 PolarHBondContact O-N 3Å; Y234-K258 HydrophobicContact CD1-CB 4.39Å; Y234-K258 HydrophobicContact CD1-CD 4.08Å; Y234-K258 HydrophobicContact CD2-CB 4.15Å; Y234-K258 HydrophobicContact CD2-CD 4Å; Y234-K258 HydrophobicContact CE1-CD 4.17Å; Y234-K258 HydrophobicContact CE2-CD 4.08Å; Y234-K258 HydrophobicContact CG-CB 3.79Å; Y234-K258 HydrophobicContact CG-CD 3.99Å; K258-M264 CarbonylContact C-O 3.03Å; K258-M264 WeakPolarHBondContact CA-O 3.35Å; K258-N265 WeakPolarHBondContact CG-OD1 3.47Å
259	C	86.5	Confident	79.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128	173.4	-172.3	0	0	0	0	109.3	H229 R230 F231 D261 A263 M264 C278	H229-C259 PolarHBondContact ND1-SG 3.11Å; R230-C259 PolarHBondContact N-SG 2.8Å; R230-C259 CarbonylContact O-C 3.36Å; R230-C259 WeakPolarHBondContact O-CA 3.45Å; F231-C259 HydrophobicContact CD1-CB 3.87Å; F231-C259 HydrophobicContact CE1-CB 3.7Å; F231-C259 HydrophobicContact CZ-CB 4.45Å; C259-D261 VanDerWaalsContact C-N 3.33Å; C259-D261 PolarHBondContact O-N 3.33Å; C259-A263 WeakPolarHBondContact O-CA 3.43Å; C259-A263 PolarHBondContact O-N 2.83Å; C259-M264 HydrophobicContact CB-CB 4.12Å; C259-M264 PolarHBondContact N-O 2.79Å; C259-C278 PolarHBondContact SG-SG 3.17Å
260	E	85.3	Confident	79.7	Confident	98 Å²	98	58.3 Å²	58.3	46%	0.458	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.4	179.6	-63.9	-169.3	118.4	0	0	112.4	R230 K232	R230-E260 WeakPolarHBondContact CD-OE2 3.49Å; R230-E260 PolarHBondContact O-N 2.75Å; K232-E260 HydrophobicContact CB-CG 4.46Å; K232-E260 VanDerWaalsContact CD-CD 3.41Å; K232-E260 HydrophobicContact CD-CG 4.13Å; K232-E260 WeakPolarHBondContact CD-OE1 3.44Å; K232-E260 WeakPolarHBondContact CE-OE1 3.34Å; K232-E260 WeakPolarHBondContact CE-OE2 3.38Å; K232-E260 HydrophobicContact CG-CG 4.1Å; K232-E260 IonicContact NZ-OE1 3.7Å; K232-E260 PolarHBondContact NZ-OE1 2.84Å; K232-E260 IonicContact NZ-OE2 2.81Å; K232-E260 PolarHBondContact NZ-OE2 2.97Å
261	D	80.9	Confident	80.7	Confident	104 Å²	104	52.8 Å²	52.8	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-34.6	-172.8	-49.7	-61.2	0	0	0	113.7	R230 C259	R230-D261 VanDerWaalsContact CB-OD2 3.27Å; R230-D261 WeakPolarHBondContact CB-OD2 3.43Å; C259-D261 VanDerWaalsContact C-N 3.33Å; C259-D261 PolarHBondContact O-N 3.33Å
262	C	79.1	Confident	81.8	Confident	38 Å²	38	56.9 Å²	56.9	26%	0.257	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	7.1	-175	69.4	0	0	0	0	114.6	H229 M264	H229-C262 PolarHBondContact CE1-SG 3.39Å; H229-C262 PolarHBondContact ND1-SG 3.16Å; C262-M264 PolarHBondContact O-N 3.03Å
263	A	85.8	Confident	83.1	Confident	51 Å²	51	52.7 Å²	52.7	42%	0.421	27%	0.269	S	S	.	.			trans	58	15.7	178.9	0	0	0	0	0	116.1	C259 N265	C259-A263 WeakPolarHBondContact O-CA 3.43Å; C259-A263 PolarHBondContact O-N 2.83Å; A263-N265 PolarHBondContact O-N 3.35Å; A263-N265 PolarHBondContact O-OD1 3.17Å
264	M	85.7	Confident	84.2	Confident	17 Å²	17	48.9 Å²	48.9	8%	0.084	25%	0.246	C	C	.	.			trans	-63.4	132.6	176.2	-173.3	179	-176.1	0	0	111.3	H229 F231 D243 H244 K258 C259 C262 V266 V274	H229-M264 VanDerWaalsContact CE1-SD 3.58Å; F231-M264 HydrophobicContact CE1-CB 4.38Å; F231-M264 HydrophobicContact CZ-SD 4.32Å; D243-M264 HydrophobicContact CB-CE 3.69Å; D243-M264 HydrophobicContact CB-CG 3.78Å; D243-M264 WeakPolarHBondContact OD2-CA 3.23Å; D243-M264 WeakPolarHBondContact OD2-CG 3.31Å; H244-M264 HydrophobicContact CB-CE 4.4Å; K258-M264 CarbonylContact C-O 3.03Å; K258-M264 WeakPolarHBondContact CA-O 3.35Å; C259-M264 HydrophobicContact CB-CB 4.12Å; C259-M264 PolarHBondContact N-O 2.79Å; C262-M264 PolarHBondContact O-N 3.03Å; M264-V266 HydrophobicContact CE-CG1 3.9Å; M264-V266 HydrophobicContact CG-CG1 4.15Å; M264-V266 HydrophobicContact SD-CG1 4.37Å; M264-V274 HydrophobicContact CE-CG1 3.8Å; M264-V274 HydrophobicContact CE-CG2 4.28Å; M264-V274 HydrophobicContact SD-CG1 3.89Å
265	N	90.4	Very high	84.3	Confident	29 Å²	29	43.9 Å²	43.9	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.4	-176.9	-53.3	-47.8	0	0	0	110.3	Y236 T240 C242 D243 L249 L257 K258 A263	Y236-N265 HydrophobicContact CE1-CB 4.02Å; Y236-N265 VanDerWaalsContact CE1-OD1 3.3Å; Y236-N265 WeakPolarHBondContact CE1-OD1 3.32Å; Y236-N265 WeakPolarHBondContact OH-CB 3.39Å; Y236-N265 PolarHBondContact OH-OD1 2.98Å; Y236-N265 VanDerWaalsContact OH-OD1 3.11Å; T240-N265 HydrophobicContact CG2-CB 4.14Å; C242-N265 CarbonylContact C-O 3.59Å; C242-N265 WeakPolarHBondContact CA-O 2.96Å; D243-N265 PolarHBondContact N-O 3.48Å; D243-N265 PolarHBondContact OD2-N 3.2Å; L249-N265 HydrophobicContact CD1-CB 4.03Å; L257-N265 WeakPolarHBondContact O-CA 3.24Å; K258-N265 WeakPolarHBondContact CG-OD1 3.47Å; A263-N265 PolarHBondContact O-N 3.35Å; A263-N265 PolarHBondContact O-OD1 3.17Å
266	V	89.1	Confident	84.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.4	-178.2	-59.5	0	0	0	0	112	F231 H244 G256 L257 M264 C270 V274	F231-V266 HydrophobicContact CD1-CG2 3.81Å; F231-V266 HydrophobicContact CE1-CB 4.45Å; F231-V266 HydrophobicContact CE1-CG1 4.1Å; F231-V266 HydrophobicContact CE1-CG2 3.52Å; F231-V266 HydrophobicContact CE2-CG2 4.27Å; F231-V266 HydrophobicContact CG-CG2 4.35Å; F231-V266 HydrophobicContact CZ-CG1 4.04Å; F231-V266 HydrophobicContact CZ-CG2 3.77Å; H244-V266 HydrophobicContact CB-CG1 4.4Å; G256-V266 WeakPolarHBondContact CA-O 3.46Å; L257-V266 HydrophobicContact CB-CG2 3.91Å; L257-V266 HydrophobicContact CD1-CG2 4.29Å; L257-V266 PolarHBondContact N-O 3.46Å; L257-V266 PolarHBondContact O-N 3.43Å; M264-V266 HydrophobicContact CE-CG1 3.9Å; M264-V266 HydrophobicContact CG-CG1 4.15Å; M264-V266 HydrophobicContact SD-CG1 4.37Å; V266-C270 HydrophobicContact CB-CB 4.31Å; V266-V274 HydrophobicContact CG1-CG2 3.81Å
267	H	88.4	Confident	83.5	Confident	23 Å²	23	47.4 Å²	47.4	11%	0.106	25%	0.248	C	C	.	.			trans	-64.8	153.5	167.8	-61.5	105.3	0	0	0	110.3	C242 C245 S247 L248 L249 K269 C270 Q271	C242-H267 WeakPolarHBondContact CB-CE1 3.28Å; C242-H267 WeakPolarHBondContact CB-ND1 3Å; C242-H267 PolarHBondContact SG-ND1 3.33Å; C245-H267 PolarHBondContact SG-CE1 3.05Å; C245-H267 PolarHBondContact SG-ND1 2.8Å; S247-H267 PolarHBondContact O-CE1 3.08Å; L248-H267 PolarHBondContact O-NE2 2.92Å; L249-H267 HydrophobicContact CD2-CB 4.17Å; L249-H267 WeakPolarHBondContact CD2-CD2 3.04Å; H267-K269 VanDerWaalsContact C-N 3.27Å; H267-K269 HydrophobicContact CB-CG 3.91Å; H267-K269 PolarHBondContact O-N 3.24Å; H267-C270 HydrophobicContact CB-CB 4.03Å; H267-C270 WeakPolarHBondContact O-CA 3.45Å; H267-C270 WeakPolarHBondContact O-CB 3.31Å; H267-C270 PolarHBondContact O-N 3.13Å; H267-Q271 PolarHBondContact O-N 2.86Å
268	H	85.6	Confident	82.9	Confident	78 Å²	78	47.2 Å²	47.2	36%	0.361	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.5	-46.3	171	-64.2	-80.7	0	0	0	112.1	K254 C270 Q271	K254-H268 PolarHBondContact O-NE2 2.98Å; H268-C270 PolarHBondContact O-N 3.28Å; H268-Q271 WeakPolarHBondContact O-CB 3.35Å; H268-Q271 PolarHBondContact O-N 3.18Å
269	K	82.4	Confident	81.7	Confident	67 Å²	67	47.2 Å²	47.2	29%	0.291	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-68.7	-12.7	176.6	70.5	179.8	-168.3	174.8	0	115.3	E134 H267	E134-K269 WeakPolarHBondContact OE1-CE 3.22Å; E134-K269 IonicContact OE1-NZ 2.66Å; E134-K269 PolarHBondContact OE1-NZ 3.36Å; E134-K269 IonicContact OE2-NZ 3.67Å; E134-K269 PolarHBondContact OE2-NZ 2.88Å; H267-K269 VanDerWaalsContact C-N 3.27Å; H267-K269 HydrophobicContact CB-CG 3.91Å; H267-K269 PolarHBondContact O-N 3.24Å
270	C	84	Confident	80.8	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.034	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-98.2	-11.3	-178.8	-69.8	0	0	0	0	112.4	V266 H267 H268 D272 K273 V274	V266-C270 HydrophobicContact CB-CB 4.31Å; H267-C270 HydrophobicContact CB-CB 4.03Å; H267-C270 WeakPolarHBondContact O-CA 3.45Å; H267-C270 WeakPolarHBondContact O-CB 3.31Å; H267-C270 PolarHBondContact O-N 3.13Å; H268-C270 PolarHBondContact O-N 3.28Å; C270-D272 PolarHBondContact O-N 3.29Å; C270-K273 PolarHBondContact O-N 2.99Å; C270-V274 WeakPolarHBondContact O-CG2 3.5Å; C270-V274 PolarHBondContact O-N 2.9Å
271	Q	84.7	Confident	79.8	Confident	76 Å²	76	49.3 Å²	49.3	36%	0.355	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-51.6	-56.3	-177.5	-174.2	179.7	-17.3	0	0	112.5	F231 L257 H267 H268 K273 V274	F231-Q271 HydrophobicContact CB-CG 4.48Å; F231-Q271 HydrophobicContact CD2-CG 3.84Å; F231-Q271 HydrophobicContact CE2-CG 4.49Å; F231-Q271 HydrophobicContact CG-CG 4.42Å; L257-Q271 HydrophobicContact CD1-CB 3.61Å; L257-Q271 HydrophobicContact CD1-CG 3.82Å; H267-Q271 PolarHBondContact O-N 2.86Å; H268-Q271 WeakPolarHBondContact O-CB 3.35Å; H268-Q271 PolarHBondContact O-N 3.18Å; Q271-K273 PolarHBondContact O-N 2.77Å; Q271-K273 VanDerWaalsContact O-N 3.16Å; Q271-V274 PolarHBondContact O-N 3.41Å
272	D	78.5	Confident	79	Confident	136 Å²	136	46.7 Å²	46.7	73%	0.727	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-75.4	-5.2	-176.4	-52.9	-36.1	0	0	0	112.8	T207 C270	T207-D272 PolarHBondContact OG1-O 3.21Å; C270-D272 PolarHBondContact O-N 3.29Å
273	K	81.2	Confident	78.3	Confident	78 Å²	78	49.3 Å²	49.3	34%	0.339	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-98.7	-4.5	-178.5	-61.1	-179.9	-175.7	175.3	0	112.8	C190 T207 H244 C270 Q271	C190-K273 HydrophobicContact CB-CB 4.45Å; T207-K273 VanDerWaalsContact OG1-CA 3.31Å; T207-K273 WeakPolarHBondContact OG1-CA 3.35Å; T207-K273 PolarHBondContact OG1-O 3.35Å; H244-K273 PolarHBondContact CE1-O 3.37Å; H244-K273 PolarHBondContact NE2-O 2.85Å; C270-K273 PolarHBondContact O-N 2.99Å; Q271-K273 PolarHBondContact O-N 2.77Å; Q271-K273 VanDerWaalsContact O-N 3.16Å
274	V	80.5	Confident	77.2	Confident	12 Å²	12	52 Å²	52	7%	0.073	28%	0.276	C	S	.	.	S	Bend	trans	-89.1	143.2	-180	177	0	0	0	0	110.1	F231 H244 M264 V266 C270 Q271	F231-V274 HydrophobicContact CZ-CG1 4.41Å; H244-V274 HydrophobicContact CB-CG2 3.92Å; M264-V274 HydrophobicContact CE-CG1 3.8Å; M264-V274 HydrophobicContact CE-CG2 4.28Å; M264-V274 HydrophobicContact SD-CG1 3.89Å; V266-V274 HydrophobicContact CG1-CG2 3.81Å; C270-V274 WeakPolarHBondContact O-CG2 3.5Å; C270-V274 PolarHBondContact O-N 2.9Å; Q271-V274 PolarHBondContact O-N 3.41Å
275	A	76.5	Confident	76.2	Confident	23 Å²	23	53.1 Å²	53.1	19%	0.19	28%	0.282	C	S	.	.			trans	-75.4	146.1	176.8	0	0	0	0	0	111.6	H229 L277	H229-A275 PolarHBondContact CD2-O 2.87Å; H229-A275 PolarHBondContact NE2-O 2.84Å; A275-L277 HydrophobicContact CB-CD1 4.24Å; A275-L277 HydrophobicContact CB-CG 4.34Å; A275-L277 PolarHBondContact O-N 3.24Å
276	N	75.7	Confident	74.8	Confident	73 Å²	73	52.3 Å²	52.3	39%	0.39	28%	0.28	S	S	.	.	S	Bend	trans	-76.5	69.5	178.3	-69.1	-17.4	0	0	0	112.2	D226 M227	D226-N276 WeakPolarHBondContact OD1-CB 3.49Å; D226-N276 PolarHBondContact OD1-ND2 3.45Å; M227-N276 PolarHBondContact N-O 2.87Å; M227-N276 CarbonylContact O-C 3.33Å; M227-N276 WeakPolarHBondContact O-CA 3.41Å
277	L	73.1	Confident	73.8	Confident	18 Å²	18	55.3 Å²	55.3	9%	0.094	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-127.5	40.5	-179.6	-62.1	173.4	0	0	0	111.1	I225 M227 A275 G279 I280 Q282	I225-L277 HydrophobicContact CB-CD2 4.26Å; I225-L277 HydrophobicContact CG2-CD2 3.7Å; M227-L277 PolarHBondContact O-N 3.09Å; A275-L277 HydrophobicContact CB-CD1 4.24Å; A275-L277 HydrophobicContact CB-CG 4.34Å; A275-L277 PolarHBondContact O-N 3.24Å; L277-G279 PolarHBondContact O-N 2.68Å; L277-I280 PolarHBondContact O-N 3.12Å; L277-Q282 HydrophobicContact CD1-CG 4.49Å
278	C	76.4	Confident	72.4	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.02	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	135.3	-177.6	-169.8	0	0	0	0	111.7	M227 H229 C259 I280	M227-C278 HydrophobicContact CG-CB 4.18Å; M227-C278 VanDerWaalsContact O-CB 3.29Å; M227-C278 WeakPolarHBondContact O-CB 3.43Å; M227-C278 PolarHBondContact O-N 2.84Å; H229-C278 HydrophobicContact CB-CB 4.39Å; H229-C278 VanDerWaalsContact CE1-CA 3.44Å; H229-C278 WeakPolarHBondContact CE1-CA 3.32Å; H229-C278 PolarHBondContact NE2-N 2.82Å; C259-C278 PolarHBondContact SG-SG 3.17Å; C278-I280 PolarHBondContact O-N 3.36Å
279	G	67	Low	71.2	Confident	61 Å²	61	56.1 Å²	56.1	63%	0.629	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	2.1	178.2	0	0	0	0	0	115.6	L277	L277-G279 PolarHBondContact O-N 2.68Å
280	I	67.6	Low	70.1	Confident	52 Å²	52	56.8 Å²	56.8	27%	0.267	32%	0.317	S	S	.	.			trans	-110.5	123.5	-174.9	-59.8	173.9	0	0	0	110.7	I225 L277 C278 Q282 L285	I225-I280 HydrophobicContact CG2-CD1 3.28Å; L277-I280 PolarHBondContact O-N 3.12Å; C278-I280 PolarHBondContact O-N 3.36Å; I280-Q282 PolarHBondContact O-N 3.2Å; I280-L285 HydrophobicContact CG2-CB 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.7Å
281	N	64.4	Low	69.1	Low	92 Å²	92	62.8 Å²	62.8	49%	0.492	35%	0.345	S	S	.	.			trans	-75.1	106.5	175.2	-172.9	-38.1	0	0	0	110.5	K283 L284 L285	N281-K283 VanDerWaalsContact C-N 3.27Å; N281-K283 PolarHBondContact O-N 3.17Å; N281-K283 WeakPolarHBondContact OD1-CB 3.08Å; N281-K283 PolarHBondContact OD1-N 3.29Å; N281-L284 HydrophobicContact CB-CB 4.17Å; N281-L284 HydrophobicContact CB-CD1 4.01Å; N281-L284 HydrophobicContact CB-CG 4.28Å; N281-L284 PolarHBondContact O-N 3.04Å; N281-L284 PolarHBondContact OD1-N 2.99Å; N281-L285 WeakPolarHBondContact O-CB 3.36Å; N281-L285 PolarHBondContact O-N 3.12Å
282	Q	62.4	Low	67.7	Low	48 Å²	48	64 Å²	64	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-31.1	-175.6	-62.2	-175.2	34.3	0	0	113.4	I203 L277 I280 A286	I203-Q282 HydrophobicContact CD1-CB 4.48Å; I203-Q282 VanDerWaalsContact CD1-O 3.22Å; I203-Q282 WeakPolarHBondContact CD1-O 3.43Å; L277-Q282 HydrophobicContact CD1-CG 4.49Å; I280-Q282 PolarHBondContact O-N 3.2Å; Q282-A286 VanDerWaalsContact O-CB 3.27Å; Q282-A286 WeakPolarHBondContact O-CB 3.3Å; Q282-A286 PolarHBondContact O-N 3.36Å
283	K	64.3	Low	66.1	Low	93 Å²	93	61.6 Å²	61.6	40%	0.404	35%	0.351	S	S	.	.	H	α-helix	trans	-69.6	-49.2	177.5	-177.6	-174.9	172.1	-167.3	0	111.1	N281 A286 E287	N281-K283 VanDerWaalsContact C-N 3.27Å; N281-K283 PolarHBondContact O-N 3.17Å; N281-K283 WeakPolarHBondContact OD1-CB 3.08Å; N281-K283 PolarHBondContact OD1-N 3.29Å; K283-A286 PolarHBondContact O-N 2.77Å; K283-E287 VanDerWaalsContact CE-OE1 3.26Å; K283-E287 WeakPolarHBondContact CE-OE1 3.49Å; K283-E287 WeakPolarHBondContact CG-OE1 3.29Å; K283-E287 WeakPolarHBondContact O-CB 3.34Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 2.93Å
284	L	63.7	Low	64.3	Low	107 Å²	107	64.8 Å²	64.8	56%	0.56	37%	0.367	S	S	*	.	H	α-helix	trans	-65.6	-38.7	179.5	-68.7	174.5	0	0	0	111.8	N281 E287 A288	N281-L284 HydrophobicContact CB-CB 4.17Å; N281-L284 HydrophobicContact CB-CD1 4.01Å; N281-L284 HydrophobicContact CB-CG 4.28Å; N281-L284 PolarHBondContact O-N 3.04Å; N281-L284 PolarHBondContact OD1-N 2.99Å; L284-E287 PolarHBondContact O-N 2.99Å; L284-A288 WeakPolarHBondContact O-CB 3.46Å; L284-A288 PolarHBondContact O-N 3.38Å
285	L	64.5	Low	62.5	Low	41 Å²	41	73 Å²	73	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-67.3	-38.8	176.1	-176	63.7	0	0	0	111.8	I203 I225 I280 N281 E287 A288 L289	I203-L285 HydrophobicContact CD1-CB 3.73Å; I203-L285 HydrophobicContact CD1-CD2 3.83Å; I203-L285 HydrophobicContact CD1-CG 3.76Å; I203-L285 HydrophobicContact CG2-CD2 4.49Å; I225-L285 HydrophobicContact CD1-CD2 4.3Å; I280-L285 HydrophobicContact CG2-CB 4.23Å; I280-L285 HydrophobicContact CG2-CD2 3.7Å; N281-L285 WeakPolarHBondContact O-CB 3.36Å; N281-L285 PolarHBondContact O-N 3.12Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 2.88Å; L285-A288 PolarHBondContact O-N 3.29Å; L285-L289 HydrophobicContact CD1-CD1 4.47Å; L285-L289 HydrophobicContact CD1-CG 4.37Å; L285-L289 HydrophobicContact CG-CD1 4.06Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.43Å
286	A	60.9	Low	60.6	Low	12 Å²	12	76.8 Å²	76.8	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-65.4	-39.5	177.2	0	0	0	0	0	110.9	K201 I203 Q282 K283 L289 T290	K201-A286 HydrophobicContact CB-CB 4.42Å; I203-A286 HydrophobicContact CD1-CB 3.88Å; I203-A286 HydrophobicContact CG1-CB 4.09Å; Q282-A286 VanDerWaalsContact O-CB 3.27Å; Q282-A286 WeakPolarHBondContact O-CB 3.3Å; Q282-A286 PolarHBondContact O-N 3.36Å; K283-A286 PolarHBondContact O-N 2.77Å; A286-L289 PolarHBondContact O-N 2.79Å; A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.03Å
287	E	68.3	Low	58.7	Low	64 Å²	64	79 Å²	79	30%	0.299	44%	0.444	S	S	.	.	H	α-helix	trans	-66.5	-41.1	175.5	-72.8	167.7	-175	0	0	111.5	K201 K283 L284 L285 T290 Q291	K201-E287 IonicContact NZ-OE1 3.69Å; K283-E287 VanDerWaalsContact CE-OE1 3.26Å; K283-E287 WeakPolarHBondContact CE-OE1 3.49Å; K283-E287 WeakPolarHBondContact CG-OE1 3.29Å; K283-E287 WeakPolarHBondContact O-CB 3.34Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 2.93Å; L284-E287 PolarHBondContact O-N 2.99Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 2.88Å; E287-T290 WeakPolarHBondContact CA-OG1 3.27Å; E287-T290 PolarHBondContact O-N 2.76Å; E287-T290 PolarHBondContact O-OG1 3.4Å; E287-Q291 WeakPolarHBondContact O-CG 3.43Å; E287-Q291 PolarHBondContact O-N 2.7Å; E287-Q291 VanDerWaalsContact O-N 3.14Å
288	A	59.1	Low	56.9	Low	44 Å²	44	89.1 Å²	89.1	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-42.9	173.5	0	0	0	0	0	112.6	L284 L285 T290 Q291 V292	L284-A288 WeakPolarHBondContact O-CB 3.46Å; L284-A288 PolarHBondContact O-N 3.38Å; L285-A288 PolarHBondContact O-N 3.29Å; A288-T290 VanDerWaalsContact C-N 3.33Å; A288-T290 PolarHBondContact O-N 3.32Å; A288-Q291 WeakPolarHBondContact O-CB 3.25Å; A288-Q291 PolarHBondContact O-N 2.55Å; A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.01Å
289	L	59.7	Low	54.8	Low	73 Å²	73	100.4 Å²	100.4	38%	0.382	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-35.1	177.4	-73.9	170.1	0	0	0	112.4	I203 L285 A286 V292 S293	I203-L289 HydrophobicContact CD1-CD1 4.36Å; L285-L289 HydrophobicContact CD1-CD1 4.47Å; L285-L289 HydrophobicContact CD1-CG 4.37Å; L285-L289 HydrophobicContact CG-CD1 4.06Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 3.43Å; A286-L289 PolarHBondContact O-N 2.79Å; L289-V292 PolarHBondContact O-N 3.25Å; L289-S293 WeakPolarHBondContact O-CB 3.26Å; L289-S293 PolarHBondContact O-N 3.17Å
290	T	60.1	Low	53.1	Low	81 Å²	81	103.5 Å²	103.5	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-69.1	-34.4	174.1	27.2	0	0	0	0	111.9	A286 E287 A288 Q294	A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.03Å; E287-T290 WeakPolarHBondContact CA-OG1 3.27Å; E287-T290 PolarHBondContact O-N 2.76Å; E287-T290 PolarHBondContact O-OG1 3.4Å; A288-T290 VanDerWaalsContact C-N 3.33Å; A288-T290 PolarHBondContact O-N 3.32Å; T290-Q294 WeakPolarHBondContact O-CB 3.2Å; T290-Q294 VanDerWaalsContact O-CG 3.28Å; T290-Q294 WeakPolarHBondContact O-CG 3.38Å; T290-Q294 PolarHBondContact O-N 2.75Å; T290-Q294 VanDerWaalsContact O-N 3.12Å
291	Q	62.2	Low	51.6	Low	132 Å²	132	107.8 Å²	107.8	62%	0.617	56%	0.558	S	S	*	*	H	α-helix	trans	-68.2	-38.7	173.2	-70.2	174.9	15.5	0	0	112.8	E287 A288 Q294 K295	E287-Q291 WeakPolarHBondContact O-CG 3.43Å; E287-Q291 PolarHBondContact O-N 2.7Å; E287-Q291 VanDerWaalsContact O-N 3.14Å; A288-Q291 WeakPolarHBondContact O-CB 3.25Å; A288-Q291 PolarHBondContact O-N 2.55Å; Q291-Q294 PolarHBondContact O-N 3.29Å; Q291-K295 PolarHBondContact O-N 2.95Å
292	V	55	Low	50.2	Low	101 Å²	101	109 Å²	109	61%	0.612	57%	0.57	S	S	*	*	H	α-helix	trans	-68.3	-41.5	175.6	175.4	0	0	0	0	111.2	A288 L289 Q294 K295	A288-V292 WeakPolarHBondContact O-CG2 3.33Å; A288-V292 PolarHBondContact O-N 3.01Å; L289-V292 PolarHBondContact O-N 3.25Å; V292-Q294 PolarHBondContact O-N 3.17Å; V292-K295 PolarHBondContact O-N 3.37Å
293	S	46.4	Very low	49.2	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-66.9	-25.3	176.9	-165.5	0	0	0	0	113	L289	L289-S293 WeakPolarHBondContact O-CB 3.26Å; L289-S293 PolarHBondContact O-N 3.17Å
294	Q	43.4	Very low	47.7	Very low	145 Å²	145	116.9 Å²	116.9	68%	0.678	62%	0.618	S	S	*	*	H	α-helix	trans	-81.6	-19	176	-76.7	180	-6.8	0	0	113.5	T290 Q291 V292 S296 T297	T290-Q294 WeakPolarHBondContact O-CB 3.2Å; T290-Q294 VanDerWaalsContact O-CG 3.28Å; T290-Q294 WeakPolarHBondContact O-CG 3.38Å; T290-Q294 PolarHBondContact O-N 2.75Å; T290-Q294 VanDerWaalsContact O-N 3.12Å; Q291-Q294 PolarHBondContact O-N 3.29Å; V292-Q294 PolarHBondContact O-N 3.17Å; Q294-S296 VanDerWaalsContact C-N 3.29Å; Q294-T297 PolarHBondContact O-OG1 2.98Å
295	K	42	Very low	46.1	Very low	183 Å²	183	117.1 Å²	117.1	80%	0.796	63%	0.626	S	S	*	*	H	α-helix	trans	-76.6	-13	171.3	-88.8	-176.1	174.7	179.9	0	113.6	Q291 V292 T297	Q291-K295 PolarHBondContact O-N 2.95Å; V292-K295 PolarHBondContact O-N 3.37Å; K295-T297 VanDerWaalsContact C-N 3.33Å; K295-T297 PolarHBondContact O-N 3.1Å
296	S	36.1	Very low	44.5	Very low	104 Å²	104	122.6 Å²	122.6	73%	0.727	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	0.4	-179.3	-161.4	0	0	0	0	114.7	Q294	Q294-S296 VanDerWaalsContact C-N 3.29Å
297	T	37.2	Very low	43.2	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	21.6	-177.7	42.1	0	0	0	0	115.3	Q294 K295	Q294-T297 PolarHBondContact O-OG1 2.98Å; K295-T297 VanDerWaalsContact C-N 3.33Å; K295-T297 PolarHBondContact O-N 3.1Å
298	R	33.2	Very low	41.3	Very low	230 Å²	230	129.7 Å²	129.7	87%	0.868	71%	0.706	S	S	*	*	S	Bend	trans	-113.8	99.7	167.4	-74.4	-171.7	178.5	-173.5	0.8	111.7
299	R	33.1	Very low	40	Very low	240 Å²	240	135.8 Å²	135.8	91%	0.906	73%	0.732	S	S	*	*			trans	51.2	110.4	152.9	-66.9	-178.8	178.4	175	-1.6	117.7	D301	R299-D301 PolarHBondContact O-N 3.07Å
300	S	32.1	Very low	38.6	Very low	126 Å²	126	139.9 Å²	139.9	88%	0.881	75%	0.753	S	S	*	*			trans	-51.6	119.3	148.1	27.3	0	0	0	0	111.3
301	D	34.8	Very low	37	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	77%	0.765	S	S	*	*			trans	-104.5	122	164.2	-159.8	-11.2	0	0	0	107.2	R299 N303	R299-D301 PolarHBondContact O-N 3.07Å; D301-N303 VanDerWaalsContact C-N 3.3Å; D301-N303 PolarHBondContact O-N 3.13Å
302	P	36.7	Very low	35.4	Very low	116 Å²	116	140.2 Å²	140.2	75%	0.753	77%	0.772	S	S	*	*			trans	-85.4	22.9	-165.6	28.1	-25.6	0	0	0	115.8
303	N	40	Very low	34.1	Very low	136 Å²	136	147.1 Å²	147.1	73%	0.727	79%	0.789	S	S	*	*			trans	-132.2	89.8	178.7	-78.8	-38.9	0	0	0	112.2	D301	D301-N303 VanDerWaalsContact C-N 3.3Å; D301-N303 PolarHBondContact O-N 3.13Å
304	L	32.3	Very low	33.3	Very low	172 Å²	172	150.2 Å²	150.2	90%	0.901	80%	0.798	S	S	*	*			trans	-178.6	143.8	146.9	-93.9	143.9	0	0	0	109.9
305	P	30.3	Very low	32.6	Very low	112 Å²	112	151.6 Å²	151.6	73%	0.727	81%	0.805	S	S	*	*			trans	-81.7	152.5	-173.1	32.6	-31.8	0	0	0	113.4
306	D	31.6	Very low	32	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	81%	0.809	S	S	*	*			trans	-58	122	-179	-167.5	17.8	0	0	0	113.1
307	I	33.1	Very low	31.7	Very low	164 Å²	164	152.8 Å²	152.8	84%	0.841	82%	0.817	S	S	*	*			trans	-134.4	117	163.4	-61.1	-178.1	0	0	0	107.8
308	G	29.5	Very low	31.3	Very low	60 Å²	60	156.1 Å²	156.1	62%	0.619	82%	0.821	S	S	*	*			trans	-74.8	167.4	-176.3	0	0	0	0	0	115.9
309	D	30.5	Very low	31.2	Very low	172 Å²	172	153.7 Å²	153.7	92%	0.92	82%	0.824	S	S	*	*			trans	-18.4	116.7	171.4	-81.3	-38.7	0	0	0	117.7
310	I	30.4	Very low	31.1	Very low	159 Å²	159	147.4 Å²	147.4	82%	0.815	82%	0.824	S	S	*	*			trans	-141.3	121.2	147.2	-60.3	-177.6	0	0	0	108.7
311	G	27	Very low	31	Very low	73 Å²	73	144.3 Å²	144.3	75%	0.753	81%	0.812	S	S	*	*			trans	-78.4	153.3	177.8	0	0	0	0	0	113.4
312	I	28.3	Very low	30.7	Very low	148 Å²	148	146.1 Å²	146.1	76%	0.759	82%	0.821	S	S	*	*			trans	-132.1	100	174.8	-55.6	179.5	0	0	0	108.9
313	Y	28	Very low	30.3	Very low	246 Å²	246	149.1 Å²	149.1	97%	0.965	83%	0.825	S	S	*	*			trans	-105	85.4	153.8	-108.6	-89.9	0	0	0	105.7
314	D	29.8	Very low	29.6	Very low	150 Å²	150	150.9 Å²	150.9	80%	0.802	83%	0.832	S	S	*	*			trans	-166.2	39.2	162.8	-130.9	-5	0	0	0	116.2
315	E	29.5	Very low	29.3	Very low	174 Å²	174	149.8 Å²	149.8	81%	0.813	83%	0.827	S	S	*	*			trans	-144.2	53.1	174.8	-98.8	-154.2	159.5	0	0	114.4
316	V	29.5	Very low	29.1	Very low	144 Å²	144	148.6 Å²	148.6	87%	0.873	83%	0.827	S	S	*	*	S	Bend	trans	-118.7	-6.1	167.3	-171.7	0	0	0	0	113.1
317	N	28	Very low	28.7	Very low	169 Å²	169	148.8 Å²	148.8	90%	0.904	83%	0.826	S	S	*	*	S	Bend	trans	-104.3	20.6	-178.3	-86.5	-21.4	0	0	0	115.5
318	K	30.2	Very low	28.3	Very low	190 Å²	190	146 Å²	146	83%	0.826	82%	0.82	S	S	*	*	S	Bend	trans	-134.4	24.6	-175.4	-112.8	-177.4	-175.6	179	0	117.7
319	L	30.7	Very low	28.2	Very low	178 Å²	178	149 Å²	149	93%	0.932	83%	0.826	S	S	*	*			trans	-123.1	13.3	169.2	-95.2	126.9	0	0	0	114.6	G321	L319-G321 PolarHBondContact O-N 3.33Å
320	A	31.2	Very low	27.9	Very low	109 Å²	109	149 Å²	149	90%	0.901	83%	0.825	S	S	*	*	S	Bend	trans	-82.3	92.2	159.6	0	0	0	0	0	109
321	G	29.8	Very low	27.8	Very low	61 Å²	61	149 Å²	149	63%	0.629	83%	0.827	S	S	*	*			trans	139.3	97.7	166.8	0	0	0	0	0	113.6	L319	L319-G321 PolarHBondContact O-N 3.33Å
322	L	27.4	Very low	27.8	Very low	180 Å²	180	149 Å²	149	94%	0.942	83%	0.827	S	S	*	*			trans	178.5	120.8	133.4	-92.4	159	0	0	0	109.4
323	E	30.2	Very low	27.7	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	83%	0.827	S	S	*	*			trans	-74.7	139.3	167.5	-65.6	179.7	148.2	0	0	110.5
324	I	25.2	Very low	28	Very low	173 Å²	173	140.5 Å²	140.5	89%	0.887	81%	0.814	S	S	*	*			trans	-144.1	122.4	140	-65.4	-169.5	0	0	0	109.1
325	N	25	Very low	28	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	82%	0.819	S	S	*	*			trans	-69.5	150.8	170.1	-96.5	-45	0	0	0	113
326	A	25.6	Very low	28.2	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	82%	0.819	S	S	*	*			trans	102.6	124.7	143.1	0	0	0	0	0	119.8
327	I	24.5	Very low	28.2	Very low	161 Å²	161	141.3 Å²	141.3	83%	0.826	81%	0.814	S	S	*	*			trans	90.6	123	156	-47.5	177.9	0	0	0	115.6
328	C	23.4	Very low	28.3	Very low	105 Å²	105	141.1 Å²	141.1	71%	0.709	81%	0.812	S	S	*	*			cis	-177.8	135.4	-20.2	-101.8	0	0	0	0	105
329	V	27.3	Very low	28.6	Very low	124 Å²	124	143.1 Å²	143.1	75%	0.752	81%	0.814	S	S	*	*			trans	59.3	107.2	144.4	-163.4	0	0	0	0	117.7
330	L	25.2	Very low	28.7	Very low	170 Å²	170	143.4 Å²	143.4	89%	0.89	81%	0.811	S	S	*	*				-178.3	140.6	117.4	-94.6	158	0	0	0	111.4
331	D	27.6	Very low	28.5	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	80%	0.802	S	S	*	*			trans	90.6	80.1	159.9	-131.8	16.3	0	0	0	119.9
332	G	27.2	Very low	28.7	Very low	74 Å²	74	144.8 Å²	144.8	76%	0.763	82%	0.815	S	S	*	*			trans	-90.9	128.6	157.6	0	0	0	0	0	111
333	S	26.8	Very low	28.9	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	81%	0.805	S	S	*	*			trans	-80.1	154.3	173.6	137.7	0	0	0	0	112.3
334	P	34.1	Very low	28.8	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	81%	0.811	S	S	*	*	S	Bend	trans	-103	106.7	-147.6	35.5	-25.6	0	0	0	112.7
335	Y	30.6	Very low	29	Very low	232 Å²	232	143.6 Å²	143.6	91%	0.91	81%	0.807	S	S	*	*	S	Bend	trans	-135.6	11.6	166.9	-95.5	-83.3	0	0	0	114.1
336	G	32.5	Very low	29.3	Very low	78 Å²	78	142.5 Å²	142.5	80%	0.804	81%	0.808	S	S	*	*	S	Bend	trans	-108.9	7.6	-179.8	0	0	0	0	0	116.1
337	K	30.4	Very low	29.5	Very low	175 Å²	175	146.9 Å²	146.9	76%	0.761	81%	0.814	S	S	*	*			trans	-133	90.5	-176	-79.3	-174.9	175.5	-179.8	0	111.8
338	L	30.3	Very low	30	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	81%	0.806	S	S	*	*	S	Bend	trans	-152.4	15.2	159.4	-106.3	151.5	0	0	0	113.4
339	W	36.6	Very low	30.5	Very low	231 Å²	231	149.7 Å²	149.7	88%	0.875	81%	0.813	S	S	*	*			trans	-128.7	18	177.5	-69.6	93.1	0	0	0	114.6
340	E	32.1	Very low	31.1	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	81%	0.812	S	S	*	*			trans	-99.7	89.8	166.5	-83.9	178.6	160.2	0	0	109.6
341	G	26	Very low	31.7	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	80%	0.795	S	S	*	*	S	Bend	trans	-157.4	87.5	176.2	0	0	0	0	0	111.6
342	S	35	Very low	32.3	Very low	129 Å²	129	146.9 Å²	146.9	90%	0.902	79%	0.792	S	S	*	*	S	Bend	trans	49.9	76.3	155.5	-174.9	0	0	0	0	119.2
343	A	30.6	Very low	33.1	Very low	88 Å²	88	150.8 Å²	150.8	73%	0.727	79%	0.794	S	S	*	*			trans	-162.2	123.8	133.6	0	0	0	0	0	107.9	R345	A343-R345 PolarHBondContact O-N 3.45Å
344	Q	28.3	Very low	34.4	Very low	204 Å²	204	148.3 Å²	148.3	95%	0.953	77%	0.774	S	S	*	*			trans	-56.9	108.7	176.6	-71.8	175.9	-11.1	0	0	109.6
345	R	29.4	Very low	36.2	Very low	216 Å²	216	153 Å²	153	82%	0.815	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-80.3	135.4	165.4	-70.9	-176.2	179.3	-179	0.4	108.1	A343 Q347	A343-R345 PolarHBondContact O-N 3.45Å; R345-Q347 PolarHBondContact O-N 2.91Å; R345-Q347 VanDerWaalsContact O-N 3.1Å
346	P	31.6	Very low	38.8	Very low	124 Å²	124	143 Å²	143	81%	0.805	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-63.1	117.2	165.6	-0.1	12.8	0	0	0	107.1	S348	P346-S348 PolarHBondContact O-N 2.95Å; P346-S348 VanDerWaalsContact O-N 3.11Å
347	Q	30.2	Very low	41.6	Very low	180 Å²	180	142.3 Å²	142.3	84%	0.841	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-56.3	117.5	164	-76.2	177.3	-36.2	0	0	107.1	R345 R349	R345-Q347 PolarHBondContact O-N 2.91Å; R345-Q347 VanDerWaalsContact O-N 3.1Å; Q347-R349 VanDerWaalsContact C-N 3.34Å; Q347-R349 PolarHBondContact O-N 2.95Å
348	S	35.4	Very low	44.5	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	69%	0.693	S	S	*	*			trans	-59.3	102.6	166.8	58.2	0	0	0	0	107	P346 L350	P346-S348 PolarHBondContact O-N 2.95Å; P346-S348 VanDerWaalsContact O-N 3.11Å; S348-L350 PolarHBondContact O-N 3.41Å
349	R	34.5	Very low	47.4	Very low	229 Å²	229	133.1 Å²	133.1	86%	0.864	68%	0.68	S	S	*	*			trans	-63.1	94.7	163.1	-73	-179.4	179.5	177.8	0.2	105.6	Q347 T351	Q347-R349 VanDerWaalsContact C-N 3.34Å; Q347-R349 PolarHBondContact O-N 2.95Å; R349-T351 PolarHBondContact O-N 3.11Å
350	L	38.4	Very low	50.1	Low	140 Å²	140	124.4 Å²	124.4	73%	0.733	65%	0.651	S	S	*	*			trans	-61.1	94.7	161.4	-109.1	93.6	0	0	0	106.1	S348 H352	S348-L350 PolarHBondContact O-N 3.41Å; L350-H352 PolarHBondContact O-N 2.9Å
351	T	38.2	Very low	53.1	Low	85 Å²	85	116.1 Å²	116.1	52%	0.521	61%	0.612	S	S	.	*			trans	-63.4	127.3	160.1	47.1	0	0	0	0	105.9	R349 L353	R349-T351 PolarHBondContact O-N 3.11Å; T351-L353 PolarHBondContact O-N 3.34Å
352	H	39.5	Very low	56.4	Low	170 Å²	170	115.5 Å²	115.5	79%	0.787	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	21.8	-171.5	-153.1	-86.3	0	0	0	113.5	L350	L350-H352 PolarHBondContact O-N 2.9Å
353	L	44.1	Very low	59.3	Low	156 Å²	156	111.6 Å²	111.6	82%	0.817	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-14.8	-160.5	-84.5	158.1	0	0	0	115.8	T351	T351-L353 PolarHBondContact O-N 3.34Å
354	T	55.8	Low	62.3	Low	56 Å²	56	111 Å²	111	34%	0.344	54%	0.543	S	S	.	.			trans	-122.9	72.3	-175.4	-21.6	0	0	0	0	112.1	V356 L686	T354-V356 PolarHBondContact O-N 3.47Å; T354-L686 HydrophobicContact CG2-CB 3.77Å; T354-L686 HydrophobicContact CG2-CD1 3.83Å; T354-L686 HydrophobicContact CG2-CG 4.37Å
355	R	70.7	Confident	65.5	Low	206 Å²	206	105.4 Å²	105.4	78%	0.777	52%	0.516	S	S	*	.			trans	-78.4	104.6	172.3	-77.6	-175	175.6	176.3	-0.6	110.2
356	V	86.2	Confident	68.5	Low	22 Å²	22	95.1 Å²	95.1	13%	0.133	48%	0.477	C	S	.	.			trans	-68	132.3	168.4	-176.6	0	0	0	0	109.6	T354 F361 F429 I678 L686	T354-V356 PolarHBondContact O-N 3.47Å; V356-F361 HydrophobicContact CG1-CE2 3.67Å; V356-F361 HydrophobicContact CG1-CZ 4.15Å; V356-F429 HydrophobicContact CB-CD1 4.49Å; V356-F429 HydrophobicContact CG1-CD1 3.8Å; V356-F429 HydrophobicContact CG1-CE1 4.03Å; V356-F429 HydrophobicContact CG1-CG 4.43Å; V356-I678 HydrophobicContact CG2-CD1 4.07Å; V356-L686 HydrophobicContact CG2-CD1 3.35Å; V356-L686 HydrophobicContact CG2-CD2 4.48Å
357	N	91.1	Very high	71.4	Confident	64 Å²	64	89.9 Å²	89.9	34%	0.342	44%	0.442	S	S	.	.			trans	-140	175.6	176	64.8	58.6	0	0	0	110.8	D359 N360	N357-D359 PolarHBondContact O-N 3.13Å; N357-D359 WeakPolarHBondContact OD1-CA 3.05Å; N357-D359 VanDerWaalsContact OD1-CB 3.24Å; N357-D359 WeakPolarHBondContact OD1-CB 3.47Å; N357-D359 PolarHBondContact OD1-N 2.99Å; N357-N360 PolarHBondContact N-OD1 3.11Å; N357-N360 WeakPolarHBondContact O-CB 3.33Å; N357-N360 PolarHBondContact O-N 3.4Å; N357-N360 PolarHBondContact O-OD1 2.84Å; N357-N360 PolarHBondContact OD1-N 3.46Å; N357-N360 PolarHBondContact OD1-OD1 3.2Å
358	V	91.3	Very high	74.1	Confident	34 Å²	34	81.9 Å²	81.9	21%	0.206	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.1	-177.8	70.3	0	0	0	0	112.6	N360 F361 F363 F429 F436 L656	V358-N360 PolarHBondContact O-N 3.48Å; V358-F361 PolarHBondContact O-N 3.47Å; V358-F361 VanDerWaalsContact O-N 3.09Å; V358-F363 HydrophobicContact CG2-CE2 3.75Å; V358-F363 HydrophobicContact CG2-CZ 3.79Å; V358-F429 HydrophobicContact CB-CE2 4.26Å; V358-F436 HydrophobicContact CG2-CE1 4.38Å; V358-F436 HydrophobicContact CG2-CZ 4.31Å; V358-L656 HydrophobicContact CG2-CD1 4.15Å
359	D	91	Very high	76.2	Confident	112 Å²	112	83.7 Å²	83.7	60%	0.599	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-73.2	-10.1	-178.5	-56	-44.9	0	0	0	112.5	N357 F361 K381	N357-D359 PolarHBondContact O-N 3.13Å; N357-D359 WeakPolarHBondContact OD1-CA 3.05Å; N357-D359 VanDerWaalsContact OD1-CB 3.24Å; N357-D359 WeakPolarHBondContact OD1-CB 3.47Å; N357-D359 PolarHBondContact OD1-N 2.99Å; D359-F361 PolarHBondContact O-N 2.89Å; D359-K381 WeakPolarHBondContact O-CD 3.48Å; D359-K381 WeakPolarHBondContact O-CE 3.4Å; D359-K381 PolarHBondContact O-NZ 3.11Å
360	N	91.9	Very high	77.6	Confident	49 Å²	49	75.2 Å²	75.2	26%	0.262	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-72.5	-16.4	170	-62.9	114.1	0	0	0	112.6	N357 V358 L380 K381	N357-N360 PolarHBondContact N-OD1 3.11Å; N357-N360 WeakPolarHBondContact O-CB 3.33Å; N357-N360 PolarHBondContact O-N 3.4Å; N357-N360 PolarHBondContact O-OD1 2.84Å; N357-N360 PolarHBondContact OD1-N 3.46Å; N357-N360 PolarHBondContact OD1-OD1 3.2Å; V358-N360 PolarHBondContact O-N 3.48Å; N360-L380 HydrophobicContact CB-CD1 4.18Å; N360-K381 WeakPolarHBondContact O-CG 3.33Å; N360-K381 PolarHBondContact O-N 3.42Å
361	F	95.1	Very high	78.4	Confident	9 Å²	9	73 Å²	73	4%	0.039	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.8	-172.3	-61.8	-80.9	0	0	0	112.6	V356 V358 D359 A378 E379 L380 F387 I389 F429 V438 M682	V356-F361 HydrophobicContact CG1-CE2 3.67Å; V356-F361 HydrophobicContact CG1-CZ 4.15Å; V358-F361 PolarHBondContact O-N 3.47Å; V358-F361 VanDerWaalsContact O-N 3.09Å; D359-F361 PolarHBondContact O-N 2.89Å; F361-A378 HydrophobicContact CB-CB 4.24Å; F361-A378 HydrophobicContact CD1-CB 4.27Å; F361-E379 CarbonylContact C-O 3.47Å; F361-E379 WeakPolarHBondContact CA-O 3.37Å; F361-L380 HydrophobicContact CD1-CD1 4.46Å; F361-L380 HydrophobicContact CE1-CB 4.42Å; F361-L380 HydrophobicContact CE1-CD1 4.16Å; F361-F387 HydrophobicContact CE1-CD2 4.09Å; F361-I389 HydrophobicContact CB-CD1 4.16Å; F361-I389 HydrophobicContact CD1-CD1 3.63Å; F361-I389 HydrophobicContact CD2-CD1 3.94Å; F361-I389 HydrophobicContact CE1-CD1 3.93Å; F361-I389 HydrophobicContact CE2-CD1 4.22Å; F361-I389 HydrophobicContact CG-CD1 3.63Å; F361-I389 HydrophobicContact CZ-CD1 4.21Å; F361-F429 HydrophobicContact CD2-CE1 4.4Å; F361-F429 HydrophobicContact CD2-CZ 4.38Å; F361-F429 AromaticContact CE2-CE1 3.85Å; F361-F429 HydrophobicContact CE2-CE1 3.85Å; F361-F429 HydrophobicContact CE2-CZ 4.26Å; F361-V438 HydrophobicContact CE1-CG1 4.1Å; F361-V438 HydrophobicContact CE2-CG2 4.23Å; F361-V438 HydrophobicContact CZ-CG1 3.97Å; F361-V438 HydrophobicContact CZ-CG2 3.96Å; F361-M682 HydrophobicContact CE1-CE 4.39Å; F361-M682 HydrophobicContact CZ-CE 3.87Å
362	V	95.6	Very high	79.7	Confident	57 Å²	57	72.3 Å²	72.3	35%	0.345	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.6	168.8	179.6	0	0	0	0	108.3	H364 A378 E379 K381	V362-H364 PolarHBondContact O-CD2 2.77Å; V362-A378 CarbonylContact O-C 3.6Å; V362-A378 VanDerWaalsContact O-CA 3.26Å; V362-A378 WeakPolarHBondContact O-CA 3.28Å; V362-E379 PolarHBondContact N-O 2.86Å; V362-E379 PolarHBondContact O-N 3.24Å; V362-K381 HydrophobicContact CG2-CD 4.25Å; V362-K381 HydrophobicContact CG2-CG 3.56Å
363	F	95.8	Very high	81.7	Confident	47 Å²	47	65.1 Å²	65.1	21%	0.206	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.2	177.2	-58.9	-52.5	0	0	0	111	V358 L376 A378 I389 F436 A654 L656	V358-F363 HydrophobicContact CG2-CE2 3.75Å; V358-F363 HydrophobicContact CG2-CZ 3.79Å; F363-L376 HydrophobicContact CD1-CB 3.88Å; F363-L376 HydrophobicContact CD1-CD1 3.88Å; F363-L376 HydrophobicContact CD1-CG 4.43Å; F363-L376 HydrophobicContact CD2-CD1 4.35Å; F363-L376 HydrophobicContact CE1-CB 4.31Å; F363-L376 HydrophobicContact CE1-CD1 3.92Å; F363-L376 HydrophobicContact CE2-CD1 4.38Å; F363-L376 HydrophobicContact CG-CD1 4.11Å; F363-L376 HydrophobicContact CZ-CD1 4.18Å; F363-A378 HydrophobicContact CD1-CB 3.79Å; F363-A378 HydrophobicContact CE1-CB 4.06Å; F363-I389 HydrophobicContact CE1-CB 4.38Å; F363-I389 HydrophobicContact CE1-CD1 4.08Å; F363-I389 HydrophobicContact CE1-CG2 4.4Å; F363-F436 HydrophobicContact CZ-CE1 4.48Å; F363-A654 HydrophobicContact CB-CB 4.08Å; F363-L656 HydrophobicContact CE2-CD1 4.17Å; F363-L656 HydrophobicContact CE2-CD2 4.31Å; F363-L656 HydrophobicContact CE2-CG 4.09Å; F363-L656 HydrophobicContact CZ-CD2 4.47Å
364	H	94.3	Very high	83.9	Confident	77 Å²	77	58.7 Å²	58.7	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-49.3	-176.4	-74.3	-80.6	0	0	0	112.4	V362 L377 E379	V362-H364 PolarHBondContact O-CD2 2.77Å; H364-L377 HydrophobicContact CB-CD2 4.32Å; H364-L377 HydrophobicContact CB-CG 4.31Å; H364-L377 PolarHBondContact N-O 3.13Å; H364-E379 IonicContact CE1-OE2 3.6Å; H364-E379 WeakPolarHBondContact NE2-CB 3.5Å; H364-E379 IonicContact NE2-OE2 2.87Å; H364-E379 PolarHBondContact NE2-OE2 3.33Å
365	K	94.9	Very high	85.7	Confident	85 Å²	85	57.9 Å²	57.9	37%	0.37	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.1	-172.7	-70.5	-69.6	177.6	172.8	0	112.1	L376 L377 L650	K365-L376 CarbonylContact O-C 3.56Å; K365-L376 WeakPolarHBondContact O-CA 3.3Å; K365-L377 HydrophobicContact CB-CB 4.21Å; K365-L377 PolarHBondContact O-N 2.83Å; K365-L650 HydrophobicContact CB-CD2 4.19Å; K365-L650 HydrophobicContact CD-CD2 4.45Å; K365-L650 WeakPolarHBondContact CD-O 3.45Å; K365-L650 HydrophobicContact CG-CD2 4.41Å; K365-L650 PolarHBondContact NZ-O 2.83Å
366	V	94.3	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.2	164.2	-177	0	0	0	0	107.2	L376 F649 E652	V366-L376 HydrophobicContact CG2-CD2 3.83Å; V366-F649 HydrophobicContact CG1-CB 4.49Å; V366-F649 CarbonylContact O-C 3.53Å; V366-E652 HydrophobicContact CB-CB 4.25Å; V366-E652 HydrophobicContact CG2-CB 4Å; V366-E652 HydrophobicContact CG2-CG 4.2Å
367	L	91.9	Very high	87.5	Confident	14 Å²	14	47.2 Å²	47.2	7%	0.073	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-28.7	178.9	-62.7	176.8	0	0	0	111.8	V375 L377 A388 Y441 F645 L650	L367-V375 HydrophobicContact CB-CB 4.47Å; L367-V375 HydrophobicContact CB-CG1 4.25Å; L367-V375 HydrophobicContact CD1-CG1 4.38Å; L367-V375 PolarHBondContact N-O 3.37Å; L367-L377 HydrophobicContact CD1-CB 3.98Å; L367-L377 HydrophobicContact CD2-CB 4.01Å; L367-L377 HydrophobicContact CG-CB 3.96Å; L367-A388 HydrophobicContact CD1-CB 4.25Å; L367-Y441 HydrophobicContact CD1-CD2 3.89Å; L367-Y441 HydrophobicContact CD1-CE2 3.6Å; L367-Y441 HydrophobicContact CD2-CE2 4.06Å; L367-Y441 HydrophobicContact CG-CE2 4.49Å; L367-F645 HydrophobicContact CB-CD1 4.2Å; L367-F645 HydrophobicContact CB-CE1 4.08Å; L367-F645 HydrophobicContact CD1-CE1 4.45Å; L367-F645 HydrophobicContact CD1-CZ 4.42Å; L367-F645 HydrophobicContact CD2-CD1 4.04Å; L367-F645 HydrophobicContact CD2-CD2 4.14Å; L367-F645 HydrophobicContact CD2-CE1 3.96Å; L367-F645 HydrophobicContact CD2-CE2 4.05Å; L367-F645 HydrophobicContact CD2-CG 4.12Å; L367-F645 HydrophobicContact CD2-CZ 3.95Å; L367-F645 HydrophobicContact CG-CE1 4.38Å; L367-L650 HydrophobicContact CD2-CD2 4.49Å
368	G	86.3	Confident	87.7	Confident	13 Å²	13	44.1 Å²	44.1	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	165.1	178.7	0	0	0	0	0	112.2	V375	G368-V375 PolarHBondContact N-O 2.84Å; G368-V375 PolarHBondContact O-N 2.93Å
369	K	79.3	Confident	88	Confident	133 Å²	133	44.4 Å²	44.4	58%	0.578	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	133	179.9	-176.6	-179.5	175.6	-172.4	0	109.6	K374 F649	K369-K374 HydrophobicContact CG-CG 4.34Å; K369-F649 HydrophobicContact CB-CE1 4.32Å
370	G	64.4	Low	88.1	Confident	51 Å²	51	39.2 Å²	39.2	53%	0.526	22%	0.219	S	C	.	.			trans	-124.6	-175	176.7	0	0	0	0	0	112	F372 G373	G370-F372 VanDerWaalsContact C-N 3.29Å; G370-F372 PolarHBondContact O-N 3.19Å; G370-G373 PolarHBondContact N-O 3.1Å
371	S	55.1	Low	88.1	Confident	93 Å²	93	42.1 Å²	42.1	65%	0.65	23%	0.229	S	C	*	.	S	Bend	trans	-56.9	-41.3	176.3	46.7	0	0	0	0	112.5
372	F	65	Low	87.6	Confident	70 Å²	70	45.6 Å²	45.6	31%	0.307	27%	0.268	S	S	.	.	S	Bend	trans	-95.1	-11.5	-171.1	-52	-65.9	0	0	0	114.7	G370 L392 K393 V396 D400 D402	G370-F372 VanDerWaalsContact C-N 3.29Å; G370-F372 PolarHBondContact O-N 3.19Å; F372-L392 HydrophobicContact CB-CD2 3.8Å; F372-L392 WeakPolarHBondContact O-CA 3.46Å; F372-K393 PolarHBondContact O-N 3.49Å; F372-V396 HydrophobicContact CD1-CG1 4.28Å; F372-D400 HydrophobicContact CE1-CB 4.2Å; F372-D402 HydrophobicContact CE1-CB 4.41Å; F372-D402 WeakPolarHBondContact CE1-OD2 3.48Å; F372-D402 WeakPolarHBondContact CZ-OD2 3.28Å
373	G	81.5	Confident	87.1	Confident	19 Å²	19	46.6 Å²	46.6	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-161.4	-171	0	0	0	0	0	116.6	G370 A391	G370-G373 PolarHBondContact N-O 3.1Å; G373-A391 VanDerWaalsContact CA-O 3.25Å; G373-A391 WeakPolarHBondContact CA-O 3.33Å
374	K	91	Very high	86.6	Confident	21 Å²	21	46.3 Å²	46.3	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.3	-179.1	-63.6	-175.6	-173	177.5	0	110.9	K369 A391 E652 R655 S657	K369-K374 HydrophobicContact CG-CG 4.34Å; K374-A391 PolarHBondContact N-O 2.85Å; K374-A391 PolarHBondContact O-N 3.16Å; K374-E652 WeakPolarHBondContact CE-OE1 3.37Å; K374-E652 IonicContact NZ-OE1 2.74Å; K374-E652 PolarHBondContact NZ-OE1 3.25Å; K374-R655 PolarHBondContact NZ-O 3.01Å; K374-S657 VanDerWaalsContact CE-OG 3.31Å; K374-S657 WeakPolarHBondContact CE-OG 3.35Å
375	V	94	Very high	86.6	Confident	40 Å²	40	47 Å²	47	24%	0.242	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.4	168.1	-173.5	0	0	0	0	108.2	L367 G368 A388 I389 K390	L367-V375 HydrophobicContact CB-CB 4.47Å; L367-V375 HydrophobicContact CB-CG1 4.25Å; L367-V375 HydrophobicContact CD1-CG1 4.38Å; L367-V375 PolarHBondContact N-O 3.37Å; G368-V375 PolarHBondContact N-O 2.84Å; G368-V375 PolarHBondContact O-N 2.93Å; V375-A388 HydrophobicContact CG1-CB 4.26Å; V375-I389 WeakPolarHBondContact CA-O 3.47Å; V375-K390 HydrophobicContact CG2-CB 4.22Å; V375-K390 HydrophobicContact CG2-CG 4.28Å
376	L	96.1	Very high	86.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.2	-174	-65.7	159.8	0	0	0	110.2	F363 K365 V366 A378 I389 A654 L656	F363-L376 HydrophobicContact CD1-CB 3.88Å; F363-L376 HydrophobicContact CD1-CD1 3.88Å; F363-L376 HydrophobicContact CD1-CG 4.43Å; F363-L376 HydrophobicContact CD2-CD1 4.35Å; F363-L376 HydrophobicContact CE1-CB 4.31Å; F363-L376 HydrophobicContact CE1-CD1 3.92Å; F363-L376 HydrophobicContact CE2-CD1 4.38Å; F363-L376 HydrophobicContact CG-CD1 4.11Å; F363-L376 HydrophobicContact CZ-CD1 4.18Å; K365-L376 CarbonylContact O-C 3.56Å; K365-L376 WeakPolarHBondContact O-CA 3.3Å; V366-L376 HydrophobicContact CG2-CD2 3.83Å; L376-A378 PolarHBondContact O-N 3.24Å; L376-I389 PolarHBondContact N-O 3.07Å; L376-I389 PolarHBondContact O-N 3.39Å; L376-A654 HydrophobicContact CD2-CB 4.16Å; L376-L656 HydrophobicContact CD1-CD2 3.78Å
377	L	97	Very high	86.8	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.8	162.5	176.5	59.8	0	0	0	108.3	H364 K365 L367 Y386 Y441 C642	H364-L377 HydrophobicContact CB-CD2 4.32Å; H364-L377 HydrophobicContact CB-CG 4.31Å; H364-L377 PolarHBondContact N-O 3.13Å; K365-L377 HydrophobicContact CB-CB 4.21Å; K365-L377 PolarHBondContact O-N 2.83Å; L367-L377 HydrophobicContact CD1-CB 3.98Å; L367-L377 HydrophobicContact CD2-CB 4.01Å; L367-L377 HydrophobicContact CG-CB 3.96Å; L377-Y386 HydrophobicContact CD1-CD1 4.01Å; L377-Y386 HydrophobicContact CG-CD1 4.41Å; L377-Y441 HydrophobicContact CD1-CD1 3.78Å; L377-Y441 HydrophobicContact CD1-CD2 3.77Å; L377-Y441 HydrophobicContact CD1-CE1 3.8Å; L377-Y441 HydrophobicContact CD1-CE2 3.81Å; L377-Y441 HydrophobicContact CD1-CG 3.77Å; L377-Y441 HydrophobicContact CD2-CE1 4.49Å; L377-C642 WeakPolarHBondContact CD2-SG 3.35Å
378	A	97.1	Very high	87	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142	-178.2	0	0	0	0	0	111.4	F361 V362 F363 L376 Y386 F387 I389	F361-A378 HydrophobicContact CB-CB 4.24Å; F361-A378 HydrophobicContact CD1-CB 4.27Å; V362-A378 CarbonylContact O-C 3.6Å; V362-A378 VanDerWaalsContact O-CA 3.26Å; V362-A378 WeakPolarHBondContact O-CA 3.28Å; F363-A378 HydrophobicContact CD1-CB 3.79Å; F363-A378 HydrophobicContact CE1-CB 4.06Å; L376-A378 PolarHBondContact O-N 3.24Å; A378-Y386 CarbonylContact O-C 3.55Å; A378-Y386 WeakPolarHBondContact O-CA 3.24Å; A378-F387 PolarHBondContact N-O 3.22Å; A378-F387 PolarHBondContact O-N 3.11Å; A378-I389 HydrophobicContact CB-CB 4.45Å; A378-I389 HydrophobicContact CB-CD1 3.4Å; A378-I389 VanDerWaalsContact CB-CD1 3.4Å; A378-I389 HydrophobicContact CB-CG1 3.73Å
379	E	95.9	Very high	87.5	Confident	39 Å²	39	44.5 Å²	44.5	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	170.9	-174.6	-169.8	165.9	0	0	109.7	F361 V362 H364 K381 G384 E385 Y386	F361-E379 CarbonylContact C-O 3.47Å; F361-E379 WeakPolarHBondContact CA-O 3.37Å; V362-E379 PolarHBondContact N-O 2.86Å; V362-E379 PolarHBondContact O-N 3.24Å; H364-E379 IonicContact CE1-OE2 3.6Å; H364-E379 WeakPolarHBondContact NE2-CB 3.5Å; H364-E379 IonicContact NE2-OE2 2.87Å; H364-E379 PolarHBondContact NE2-OE2 3.33Å; E379-K381 PolarHBondContact O-N 2.69Å; E379-G384 PolarHBondContact OE1-N 2.92Å; E379-E385 WeakPolarHBondContact CA-O 3.32Å; E379-Y386 HydrophobicContact CB-CD1 4.05Å; E379-Y386 HydrophobicContact CB-CE1 3.89Å; E379-Y386 HydrophobicContact CG-CD1 4.42Å; E379-Y386 HydrophobicContact CG-CE1 4.08Å
380	L	94.3	Very high	88.3	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118	169.2	-178.5	56.7	0	0	0	109.2	N360 F361 G382 R383 E385 F387 M682 L686	N360-L380 HydrophobicContact CB-CD1 4.18Å; F361-L380 HydrophobicContact CD1-CD1 4.46Å; F361-L380 HydrophobicContact CE1-CB 4.42Å; F361-L380 HydrophobicContact CE1-CD1 4.16Å; L380-G382 PolarHBondContact O-N 3.04Å; L380-R383 HydrophobicContact CG-CG 4.32Å; L380-R383 PolarHBondContact O-N 2.74Å; L380-R383 VanDerWaalsContact O-N 3.11Å; L380-E385 HydrophobicContact CB-CB 4.48Å; L380-E385 PolarHBondContact N-O 2.59Å; L380-F387 HydrophobicContact CB-CD2 4.35Å; L380-F387 HydrophobicContact CB-CE2 3.79Å; L380-F387 HydrophobicContact CD2-CE2 4.3Å; L380-M682 HydrophobicContact CD2-CE 4.3Å; L380-L686 HydrophobicContact CD1-CD2 4.24Å; L380-L686 HydrophobicContact CD2-CD2 4.45Å
381	K	91.1	Very high	89.8	Confident	109 Å²	109	37.2 Å²	37.2	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	123.4	-169.5	-80.6	-178.9	-176.3	174	0	112.6	D359 N360 V362 E379 R383	D359-K381 WeakPolarHBondContact O-CD 3.48Å; D359-K381 WeakPolarHBondContact O-CE 3.4Å; D359-K381 PolarHBondContact O-NZ 3.11Å; N360-K381 WeakPolarHBondContact O-CG 3.33Å; N360-K381 PolarHBondContact O-N 3.42Å; V362-K381 HydrophobicContact CG2-CD 4.25Å; V362-K381 HydrophobicContact CG2-CG 3.56Å; E379-K381 PolarHBondContact O-N 2.69Å; K381-R383 VanDerWaalsContact C-N 3.29Å; K381-R383 PolarHBondContact O-N 2.82Å
382	G	84.1	Confident	91.6	Very high	83 Å²	83	33 Å²	33	86%	0.856	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.4	172.4	0	0	0	0	0	115.2	L380	L380-G382 PolarHBondContact O-N 3.04Å
383	R	85.4	Confident	92.8	Very high	78 Å²	78	31.6 Å²	31.6	29%	0.294	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-17.5	-177.6	-60.5	-168.3	-172.2	-90	6.1	115.1	L380 K381 E385 L685 L686 K688	L380-R383 HydrophobicContact CG-CG 4.32Å; L380-R383 PolarHBondContact O-N 2.74Å; L380-R383 VanDerWaalsContact O-N 3.11Å; K381-R383 VanDerWaalsContact C-N 3.29Å; K381-R383 PolarHBondContact O-N 2.82Å; R383-E385 HydrophobicContact CB-CB 4.39Å; R383-E385 HydrophobicContact CB-CG 4.17Å; R383-E385 PolarHBondContact O-N 3.41Å; R383-L685 WeakPolarHBondContact CD-O 3.31Å; R383-L685 PolarHBondContact NE-O 2.87Å; R383-L685 PolarHBondContact NH1-O 3.46Å; R383-L685 PolarHBondContact NH2-O 3.46Å; R383-L685 VanDerWaalsContact NH2-O 3.13Å; R383-L686 VanDerWaalsContact NH2-C 3.32Å; R383-L686 PolarHBondContact NH2-O 2.77Å; R383-K688 VanDerWaalsContact NH1-CB 3.33Å; R383-K688 PolarHBondContact NH1-O 3.02Å; R383-K688 PolarHBondContact NH1-OXT 2.97Å; R383-K688 PolarHBondContact NH2-OXT 2.91Å
384	G	86.4	Confident	93.2	Very high	41 Å²	41	30.8 Å²	30.8	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	18.2	-174.5	0	0	0	0	0	114	E379 Y386	E379-G384 PolarHBondContact OE1-N 2.92Å; G384-Y386 WeakPolarHBondContact O-CD2 3.24Å; G384-Y386 WeakPolarHBondContact O-CE2 3.5Å
385	E	92.7	Very high	92.8	Very high	90 Å²	90	30.5 Å²	30.5	42%	0.421	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.1	177.9	-69.1	-70.2	166.4	0	0	109.8	E379 L380 R383 F387 L685	E379-E385 WeakPolarHBondContact CA-O 3.32Å; L380-E385 HydrophobicContact CB-CB 4.48Å; L380-E385 PolarHBondContact N-O 2.59Å; R383-E385 HydrophobicContact CB-CB 4.39Å; R383-E385 HydrophobicContact CB-CG 4.17Å; R383-E385 PolarHBondContact O-N 3.41Å; E385-F387 HydrophobicContact CB-CE2 3.89Å; E385-F387 HydrophobicContact CB-CZ 4.31Å; E385-L685 HydrophobicContact CG-CD2 4.46Å
386	Y	96.1	Very high	92.3	Very high	48 Å²	48	30.3 Å²	30.3	19%	0.188	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.6	-172.6	-66.5	-91.2	0	0	0	112.3	L377 A378 E379 G384 P639 N640	L377-Y386 HydrophobicContact CD1-CD1 4.01Å; L377-Y386 HydrophobicContact CG-CD1 4.41Å; A378-Y386 CarbonylContact O-C 3.55Å; A378-Y386 WeakPolarHBondContact O-CA 3.24Å; E379-Y386 HydrophobicContact CB-CD1 4.05Å; E379-Y386 HydrophobicContact CB-CE1 3.89Å; E379-Y386 HydrophobicContact CG-CD1 4.42Å; E379-Y386 HydrophobicContact CG-CE1 4.08Å; G384-Y386 WeakPolarHBondContact O-CD2 3.24Å; G384-Y386 WeakPolarHBondContact O-CE2 3.5Å; Y386-P639 HydrophobicContact CD2-CB 4.28Å; Y386-N640 HydrophobicContact CD1-CB 3.84Å; Y386-N640 HydrophobicContact CD2-CB 4.27Å; Y386-N640 HydrophobicContact CE1-CB 3.44Å; Y386-N640 VanDerWaalsContact CE1-CB 3.44Å; Y386-N640 HydrophobicContact CE2-CB 3.93Å; Y386-N640 HydrophobicContact CG-CB 4.23Å; Y386-N640 VanDerWaalsContact CZ-CB 3.49Å; Y386-N640 PolarHBondContact OH-ND2 3.29Å
387	F	97.4	Very high	91.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.4	-175.6	-61.1	-86.3	0	0	0	110.8	F361 A378 L380 E385 I389 Y426 V438 M439 M682 L685	F361-F387 HydrophobicContact CE1-CD2 4.09Å; A378-F387 PolarHBondContact N-O 3.22Å; A378-F387 PolarHBondContact O-N 3.11Å; L380-F387 HydrophobicContact CB-CD2 4.35Å; L380-F387 HydrophobicContact CB-CE2 3.79Å; L380-F387 HydrophobicContact CD2-CE2 4.3Å; E385-F387 HydrophobicContact CB-CE2 3.89Å; E385-F387 HydrophobicContact CB-CZ 4.31Å; F387-I389 HydrophobicContact CB-CG1 4.34Å; F387-Y426 AromaticContact CD1-CD2 3.99Å; F387-Y426 HydrophobicContact CD1-CD2 3.99Å; F387-Y426 HydrophobicContact CD1-CE2 4.33Å; F387-Y426 HydrophobicContact CD1-CG 4.21Å; F387-Y426 AromaticContact CE1-CD1 3.8Å; F387-Y426 HydrophobicContact CE1-CD1 3.8Å; F387-Y426 AromaticContact CE1-CD2 3.78Å; F387-Y426 HydrophobicContact CE1-CD2 3.78Å; F387-Y426 HydrophobicContact CE1-CE1 4.01Å; F387-Y426 AromaticContact CE1-CE2 3.99Å; F387-Y426 HydrophobicContact CE1-CE2 3.99Å; F387-Y426 AromaticContact CE1-CG 3.69Å; F387-Y426 HydrophobicContact CE1-CG 3.69Å; F387-V438 HydrophobicContact CB-CG1 3.89Å; F387-V438 HydrophobicContact CD1-CG1 3.71Å; F387-V438 HydrophobicContact CE1-CG1 4.43Å; F387-V438 HydrophobicContact CG-CG1 3.81Å; F387-M439 WeakPolarHBondContact CA-O 3.23Å; F387-M439 WeakPolarHBondContact CB-O 3.5Å; F387-M682 HydrophobicContact CZ-SD 4.37Å; F387-L685 HydrophobicContact CZ-CD1 4.05Å
388	A	97.3	Very high	90.6	Very high	11 Å²	11	32.8 Å²	32.8	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.1	164.1	0	0	0	0	0	108.7	L367 V375 M439 Y441	L367-A388 HydrophobicContact CD1-CB 4.25Å; V375-A388 HydrophobicContact CG1-CB 4.26Å; A388-M439 HydrophobicContact CB-CE 4.46Å; A388-M439 PolarHBondContact N-O 2.84Å; A388-M439 WeakPolarHBondContact O-CB 3.29Å; A388-M439 PolarHBondContact O-N 3.49Å; A388-Y441 HydrophobicContact CB-CD2 4.46Å
389	I	97.3	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.5	-179.4	-59.9	-171.7	0	0	0	109.9	F361 F363 V375 L376 A378 F387 F436 F437 V438	F361-I389 HydrophobicContact CB-CD1 4.16Å; F361-I389 HydrophobicContact CD1-CD1 3.63Å; F361-I389 HydrophobicContact CD2-CD1 3.94Å; F361-I389 HydrophobicContact CE1-CD1 3.93Å; F361-I389 HydrophobicContact CE2-CD1 4.22Å; F361-I389 HydrophobicContact CG-CD1 3.63Å; F361-I389 HydrophobicContact CZ-CD1 4.21Å; F363-I389 HydrophobicContact CE1-CB 4.38Å; F363-I389 HydrophobicContact CE1-CD1 4.08Å; F363-I389 HydrophobicContact CE1-CG2 4.4Å; V375-I389 WeakPolarHBondContact CA-O 3.47Å; L376-I389 PolarHBondContact N-O 3.07Å; L376-I389 PolarHBondContact O-N 3.39Å; A378-I389 HydrophobicContact CB-CB 4.45Å; A378-I389 HydrophobicContact CB-CD1 3.4Å; A378-I389 VanDerWaalsContact CB-CD1 3.4Å; A378-I389 HydrophobicContact CB-CG1 3.73Å; F387-I389 HydrophobicContact CB-CG1 4.34Å; I389-F436 HydrophobicContact CG2-CB 4.34Å; I389-F436 HydrophobicContact CG2-CD1 3.81Å; I389-F437 CarbonylContact C-O 3.57Å; I389-F437 VanDerWaalsContact CA-O 3.27Å; I389-F437 WeakPolarHBondContact CA-O 3.39Å; I389-V438 HydrophobicContact CD1-CG1 4.42Å; I389-V438 HydrophobicContact CD1-CG2 4.08Å; I389-V438 HydrophobicContact CG1-CG1 4.28Å; I389-V438 HydrophobicContact CG1-CG2 4.2Å
390	K	95.8	Very high	88.2	Confident	25 Å²	25	40.1 Å²	40.1	11%	0.109	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.1	170.3	-178.6	175.7	178.3	-176.9	0	108.1	V375 L392 E409 F436 F437 M439 D503	V375-K390 HydrophobicContact CG2-CB 4.22Å; V375-K390 HydrophobicContact CG2-CG 4.28Å; K390-L392 HydrophobicContact CD-CD2 4.5Å; K390-L392 HydrophobicContact CG-CD2 4.01Å; K390-L392 HydrophobicContact CG-CG 4.47Å; K390-E409 VanDerWaalsContact NZ-CD 3.28Å; K390-E409 IonicContact NZ-OE1 3.68Å; K390-E409 PolarHBondContact NZ-OE1 3.4Å; K390-E409 IonicContact NZ-OE2 3.93Å; K390-E409 PolarHBondContact NZ-OE2 2.99Å; K390-F436 WeakPolarHBondContact O-CA 3.17Å; K390-F437 HydrophobicContact CB-CB 4.23Å; K390-F437 PolarHBondContact N-O 3.47Å; K390-F437 PolarHBondContact O-N 3.35Å; K390-M439 HydrophobicContact CB-CE 3.69Å; K390-D503 IonicContact NZ-OD1 3.17Å; K390-D503 PolarHBondContact NZ-OD1 2.82Å; K390-D503 IonicContact NZ-OD2 3.23Å
391	A	95.6	Very high	87.3	Confident	5 Å²	5	46.6 Å²	46.6	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.5	179.9	0	0	0	0	0	109.8	G373 K374 L435 F436 L656	G373-A391 VanDerWaalsContact CA-O 3.25Å; G373-A391 WeakPolarHBondContact CA-O 3.33Å; K374-A391 PolarHBondContact N-O 2.85Å; K374-A391 PolarHBondContact O-N 3.16Å; A391-L435 WeakPolarHBondContact CA-O 3.45Å; A391-F436 HydrophobicContact CB-CD1 3.89Å; A391-F436 HydrophobicContact CB-CE1 3.83Å; A391-L656 HydrophobicContact CB-CD2 3.68Å
392	L	92.7	Very high	86.8	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.2	178.4	-52.7	-177.9	0	0	0	110.2	F372 K390 V397 T406 H434 L435 F437	F372-L392 HydrophobicContact CB-CD2 3.8Å; F372-L392 WeakPolarHBondContact O-CA 3.46Å; K390-L392 HydrophobicContact CD-CD2 4.5Å; K390-L392 HydrophobicContact CG-CD2 4.01Å; K390-L392 HydrophobicContact CG-CG 4.47Å; L392-V397 HydrophobicContact CB-CG2 4.28Å; L392-T406 HydrophobicContact CD1-CG2 4.08Å; L392-H434 CarbonylContact O-C 3.56Å; L392-H434 WeakPolarHBondContact O-CA 3.3Å; L392-H434 WeakPolarHBondContact O-CB 3.28Å; L392-L435 HydrophobicContact CB-CB 4.3Å; L392-L435 PolarHBondContact N-O 2.87Å; L392-L435 PolarHBondContact O-N 2.76Å; L392-F437 HydrophobicContact CD1-CE2 3.85Å; L392-F437 HydrophobicContact CG-CE2 4.47Å
393	K	90.4	Very high	86.9	Confident	41 Å²	41	40.2 Å²	40.2	18%	0.178	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.2	173	-55.4	178.8	159.3	-161.1	0	111.1	F372 D395 V396 V397 Y658	F372-K393 PolarHBondContact O-N 3.49Å; K393-D395 VanDerWaalsContact C-N 3.32Å; K393-D395 WeakPolarHBondContact CB-OD1 3.48Å; K393-D395 PolarHBondContact O-N 3.15Å; K393-V396 HydrophobicContact CB-CB 4.3Å; K393-V396 HydrophobicContact CB-CG2 4.05Å; K393-V396 HydrophobicContact CD-CG2 3.85Å; K393-V396 PolarHBondContact O-N 3.39Å; K393-V397 VanDerWaalsContact O-CG2 3.28Å; K393-V397 WeakPolarHBondContact O-CG2 3.37Å; K393-V397 PolarHBondContact O-N 2.96Å; K393-V397 VanDerWaalsContact O-N 3.12Å; K393-Y658 PolarHBondContact NZ-O 3.45Å
394	K	89.7	Confident	86.9	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-35.3	-179.6	-74.2	-178.7	165.6	-179.8	0	113	V397 L398 T431 E433 L435 M667 F672	K394-V397 PolarHBondContact O-N 2.89Å; K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 2.82Å; K394-T431 WeakPolarHBondContact CE-O 3.49Å; K394-T431 PolarHBondContact NZ-O 3.36Å; K394-E433 PolarHBondContact N-O 2.86Å; K394-L435 HydrophobicContact CD-CD2 4.44Å; K394-L435 VanDerWaalsContact CE-CD2 3.46Å; K394-L435 HydrophobicContact CG-CD1 4.48Å; K394-L435 HydrophobicContact CG-CD2 4.14Å; K394-L435 HydrophobicContact CG-CG 3.91Å; K394-M667 HydrophobicContact CB-CE 3.51Å; K394-M667 HydrophobicContact CB-SD 3.61Å; K394-M667 HydrophobicContact CD-CE 3.71Å; K394-M667 HydrophobicContact CG-CE 4.28Å; K394-F672 HydrophobicContact CB-CD2 4.5Å; K394-F672 HydrophobicContact CB-CE2 3.74Å; K394-F672 HydrophobicContact CB-CZ 4.13Å; K394-F672 HydrophobicContact CD-CD2 3.79Å; K394-F672 HydrophobicContact CD-CE2 3.88Å; K394-F672 HydrophobicContact CG-CD2 3.95Å; K394-F672 HydrophobicContact CG-CE2 3.63Å; K394-F672 HydrophobicContact CG-CZ 4.08Å
395	D	82.6	Confident	86.9	Confident	16 Å²	16	42.8 Å²	42.8	9%	0.086	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-48	178.5	55.7	-1.3	0	0	0	111.7	K393 L398 M399 S659 F663	K393-D395 VanDerWaalsContact C-N 3.32Å; K393-D395 WeakPolarHBondContact CB-OD1 3.48Å; K393-D395 PolarHBondContact O-N 3.15Å; D395-L398 PolarHBondContact O-N 3.26Å; D395-M399 WeakPolarHBondContact O-CB 3.39Å; D395-M399 VanDerWaalsContact O-CG 3.24Å; D395-M399 WeakPolarHBondContact O-CG 3.33Å; D395-M399 PolarHBondContact O-N 2.94Å; D395-S659 PolarHBondContact OD1-OG 3.22Å; D395-S659 VanDerWaalsContact OD2-CB 3.31Å; D395-S659 WeakPolarHBondContact OD2-CB 3.44Å; D395-S659 PolarHBondContact OD2-OG 3.06Å; D395-F663 HydrophobicContact CB-CD1 3.43Å; D395-F663 VanDerWaalsContact CB-CD1 3.43Å; D395-F663 HydrophobicContact CB-CE1 3.52Å; D395-F663 HydrophobicContact CB-CG 4.43Å
396	V	82.4	Confident	86.8	Confident	36 Å²	36	38.8 Å²	38.8	22%	0.218	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-47.6	176.3	179.9	0	0	0	0	110.8	F372 K393 L398 M399 D400	F372-V396 HydrophobicContact CD1-CG1 4.28Å; K393-V396 HydrophobicContact CB-CB 4.3Å; K393-V396 HydrophobicContact CB-CG2 4.05Å; K393-V396 HydrophobicContact CD-CG2 3.85Å; K393-V396 PolarHBondContact O-N 3.39Å; V396-L398 VanDerWaalsContact C-N 3.26Å; V396-L398 PolarHBondContact O-N 2.63Å; V396-M399 PolarHBondContact O-N 3.2Å; V396-M399 VanDerWaalsContact O-N 3.16Å; V396-D400 PolarHBondContact O-N 2.99Å
397	V	81.3	Confident	86.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-37	179.3	173.7	0	0	0	0	112.1	L392 K393 K394 D401 D402 V403 F672	L392-V397 HydrophobicContact CB-CG2 4.28Å; K393-V397 VanDerWaalsContact O-CG2 3.28Å; K393-V397 WeakPolarHBondContact O-CG2 3.37Å; K393-V397 PolarHBondContact O-N 2.96Å; K393-V397 VanDerWaalsContact O-N 3.12Å; K394-V397 PolarHBondContact O-N 2.89Å; V397-D401 PolarHBondContact O-N 3.01Å; V397-D402 HydrophobicContact CG1-CB 4.29Å; V397-D402 PolarHBondContact O-N 3.15Å; V397-V403 HydrophobicContact CG1-CG2 4.18Å; V397-F672 HydrophobicContact CB-CE1 4.49Å; V397-F672 HydrophobicContact CB-CZ 4.3Å; V397-F672 HydrophobicContact CG1-CE1 3.82Å; V397-F672 HydrophobicContact CG1-CZ 4.01Å
398	L	77.8	Confident	86.4	Confident	54 Å²	54	38.3 Å²	38.3	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-76.2	-37.6	176.2	-73.8	168	0	0	0	113.2	K394 D395 V396 D400 D401 V403 M667 A671 F672	K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 2.82Å; D395-L398 PolarHBondContact O-N 3.26Å; V396-L398 VanDerWaalsContact C-N 3.26Å; V396-L398 PolarHBondContact O-N 2.63Å; L398-D400 PolarHBondContact O-N 2.77Å; L398-D401 PolarHBondContact O-N 3.28Å; L398-V403 HydrophobicContact CD2-CG2 3.54Å; L398-V403 HydrophobicContact CG-CG2 4.36Å; L398-M667 HydrophobicContact CD1-CG 3.18Å; L398-M667 HydrophobicContact CD1-SD 3.41Å; L398-M667 WeakPolarHBondContact CD1-SD 3.33Å; L398-A671 HydrophobicContact CD2-CB 4.12Å; L398-F672 HydrophobicContact CD1-CE2 4.04Å; L398-F672 HydrophobicContact CD1-CZ 4.39Å; L398-F672 HydrophobicContact CD2-CE2 4.37Å; L398-F672 HydrophobicContact CD2-CZ 4.23Å; L398-F672 HydrophobicContact CG-CE2 4.06Å; L398-F672 HydrophobicContact CG-CZ 3.92Å
399	M	72	Confident	86.2	Confident	122 Å²	122	38.1 Å²	38.1	60%	0.601	20%	0.199	S	C	*	.	H	α-helix	trans	-62.7	-34.8	177.2	-75.5	-179.2	-177.3	0	0	111.9	D395 V396 F663	D395-M399 WeakPolarHBondContact O-CB 3.39Å; D395-M399 VanDerWaalsContact O-CG 3.24Å; D395-M399 WeakPolarHBondContact O-CG 3.33Å; D395-M399 PolarHBondContact O-N 2.94Å; V396-M399 PolarHBondContact O-N 3.2Å; V396-M399 VanDerWaalsContact O-N 3.16Å; M399-F663 HydrophobicContact CE-CD2 3.9Å; M399-F663 HydrophobicContact CE-CE1 4.08Å; M399-F663 HydrophobicContact CE-CE2 3.38Å; M399-F663 HydrophobicContact CE-CG 4.44Å; M399-F663 HydrophobicContact CE-CZ 3.48Å; M399-F663 VanDerWaalsContact CE-CZ 3.48Å; M399-F663 HydrophobicContact CG-CZ 4.22Å
400	D	70.4	Confident	86.1	Confident	71 Å²	71	39.3 Å²	39.3	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.2	-179.2	-64	-20.7	0	0	0	113.2	F372 V396 L398 D402	F372-D400 HydrophobicContact CE1-CB 4.2Å; V396-D400 PolarHBondContact O-N 2.99Å; L398-D400 PolarHBondContact O-N 2.77Å; D400-D402 VanDerWaalsContact C-N 3.28Å; D400-D402 PolarHBondContact O-N 3.24Å
401	D	74.1	Confident	86.1	Confident	141 Å²	141	42.6 Å²	42.6	75%	0.754	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.1	-177.8	-160.2	30.2	0	0	0	114.2	V397 L398	V397-D401 PolarHBondContact O-N 3.01Å; L398-D401 PolarHBondContact O-N 3.28Å
402	D	80.9	Confident	86	Confident	39 Å²	39	42.4 Å²	42.4	21%	0.209	22%	0.215	C	C	.	.			trans	-99.1	19.6	-172.5	-84.6	-42.6	0	0	0	114.2	F372 V397 D400 E404 C405 T406	F372-D402 HydrophobicContact CE1-CB 4.41Å; F372-D402 WeakPolarHBondContact CE1-OD2 3.48Å; F372-D402 WeakPolarHBondContact CZ-OD2 3.28Å; V397-D402 HydrophobicContact CG1-CB 4.29Å; V397-D402 PolarHBondContact O-N 3.15Å; D400-D402 VanDerWaalsContact C-N 3.28Å; D400-D402 PolarHBondContact O-N 3.24Å; D402-E404 PolarHBondContact O-N 3.09Å; D402-C405 HydrophobicContact CB-CB 4.32Å; D402-C405 PolarHBondContact O-N 2.97Å; D402-C405 PolarHBondContact OD1-SG 3.35Å; D402-T406 WeakPolarHBondContact O-CB 3.32Å; D402-T406 PolarHBondContact O-N 2.88Å; D402-T406 PolarHBondContact O-OG1 3.37Å
403	V	87.3	Confident	86.1	Confident	18 Å²	18	42.3 Å²	42.3	11%	0.109	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-47.6	178.5	178.7	0	0	0	0	110.8	V397 L398 T406 M407 A671 F672	V397-V403 HydrophobicContact CG1-CG2 4.18Å; L398-V403 HydrophobicContact CD2-CG2 3.54Å; L398-V403 HydrophobicContact CG-CG2 4.36Å; V403-T406 WeakPolarHBondContact O-CB 3.48Å; V403-T406 PolarHBondContact O-N 3.41Å; V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 2.93Å; V403-A671 HydrophobicContact CG1-CB 4.45Å; V403-A671 VanDerWaalsContact CG1-O 3.29Å; V403-A671 WeakPolarHBondContact CG1-O 3.29Å; V403-F672 HydrophobicContact CB-CE1 4.41Å; V403-F672 HydrophobicContact CG1-CD1 4.26Å; V403-F672 HydrophobicContact CG1-CE1 4.09Å; V403-F672 HydrophobicContact CG2-CE1 3.94Å; V403-F672 HydrophobicContact CG2-CZ 4.07Å
404	E	85.8	Confident	86.2	Confident	127 Å²	127	41.9 Å²	41.9	59%	0.593	22%	0.218	S	C	*	.	H	α-helix	trans	-66.3	-40.5	179.5	-75.7	-58.8	127.2	0	0	112.1	D402 T406 M407 V408	D402-E404 PolarHBondContact O-N 3.09Å; E404-T406 VanDerWaalsContact C-N 3.28Å; E404-T406 PolarHBondContact O-N 3.11Å; E404-M407 PolarHBondContact O-N 3.35Å; E404-V408 WeakPolarHBondContact O-CB 3.47Å; E404-V408 VanDerWaalsContact O-CG2 3.23Å; E404-V408 WeakPolarHBondContact O-CG2 3.5Å; E404-V408 PolarHBondContact O-N 3.45Å
405	C	85.7	Confident	86.2	Confident	46 Å²	46	44.7 Å²	44.7	31%	0.311	23%	0.233	S	C	.	.	H	α-helix	trans	-56.8	-44.8	174.2	-61	0	0	0	0	110.9	D402 M407 V408 E409	D402-C405 HydrophobicContact CB-CB 4.32Å; D402-C405 PolarHBondContact O-N 2.97Å; D402-C405 PolarHBondContact OD1-SG 3.35Å; C405-M407 PolarHBondContact O-N 2.58Å; C405-V408 PolarHBondContact O-N 2.73Å; C405-E409 PolarHBondContact O-N 3.13Å
406	T	91.1	Very high	86.4	Confident	7 Å²	7	44 Å²	44	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-41	177.4	-56.4	0	0	0	0	112.4	L392 D402 V403 E404 E409 K410 L435 F437 F675	L392-T406 HydrophobicContact CD1-CG2 4.08Å; D402-T406 WeakPolarHBondContact O-CB 3.32Å; D402-T406 PolarHBondContact O-N 2.88Å; D402-T406 PolarHBondContact O-OG1 3.37Å; V403-T406 WeakPolarHBondContact O-CB 3.48Å; V403-T406 PolarHBondContact O-N 3.41Å; E404-T406 VanDerWaalsContact C-N 3.28Å; E404-T406 PolarHBondContact O-N 3.11Å; T406-E409 PolarHBondContact O-N 2.96Å; T406-K410 PolarHBondContact O-N 3.39Å; T406-K410 VanDerWaalsContact O-N 3.17Å; T406-L435 HydrophobicContact CG2-CD1 3.68Å; T406-F437 HydrophobicContact CG2-CE2 4.17Å; T406-F437 HydrophobicContact CG2-CZ 3.98Å; T406-F675 HydrophobicContact CG2-CE2 3.98Å
407	M	91.8	Very high	86.6	Confident	23 Å²	23	45.7 Å²	45.7	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-72	-34.2	178.5	-68.2	-62.4	-77	0	0	112.4	V403 E404 C405 R411 A673 F675	V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 2.93Å; E404-M407 PolarHBondContact O-N 3.35Å; C405-M407 PolarHBondContact O-N 2.58Å; M407-R411 WeakPolarHBondContact O-CG 3.47Å; M407-R411 PolarHBondContact O-N 3.29Å; M407-R411 VanDerWaalsContact O-N 3.15Å; M407-R411 PolarHBondContact O-NH1 2.79Å; M407-A673 WeakPolarHBondContact CE-O 3.42Å; M407-F675 HydrophobicContact SD-CB 4.27Å; M407-F675 HydrophobicContact SD-CD2 4Å
408	V	92	Very high	86.5	Confident	17 Å²	17	52.6 Å²	52.6	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-50.8	170	169.4	0	0	0	0	109.9	E404 C405 K410 R411 V412 C507 E509	E404-V408 WeakPolarHBondContact O-CB 3.47Å; E404-V408 VanDerWaalsContact O-CG2 3.23Å; E404-V408 WeakPolarHBondContact O-CG2 3.5Å; E404-V408 PolarHBondContact O-N 3.45Å; C405-V408 PolarHBondContact O-N 2.73Å; V408-K410 VanDerWaalsContact C-N 3.27Å; V408-K410 PolarHBondContact O-N 2.75Å; V408-R411 PolarHBondContact O-N 3.44Å; V408-V412 HydrophobicContact CG1-CG2 3.97Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.32Å; V408-C507 HydrophobicContact CG1-CB 3.94Å; V408-E509 HydrophobicContact CG1-CG 4.05Å
409	E	94.6	Very high	87.2	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-52.8	-46.8	178.9	-175.4	172.4	-177.7	0	0	111.2	K390 C405 T406 R411 V412 L413 F437 F504	K390-E409 VanDerWaalsContact NZ-CD 3.28Å; K390-E409 IonicContact NZ-OE1 3.68Å; K390-E409 PolarHBondContact NZ-OE1 3.4Å; K390-E409 IonicContact NZ-OE2 3.93Å; K390-E409 PolarHBondContact NZ-OE2 2.99Å; C405-E409 PolarHBondContact O-N 3.13Å; T406-E409 PolarHBondContact O-N 2.96Å; E409-R411 PolarHBondContact O-N 3.46Å; E409-V412 PolarHBondContact O-N 3.49Å; E409-L413 HydrophobicContact CG-CD1 3.88Å; E409-L413 VanDerWaalsContact O-CB 3.29Å; E409-L413 WeakPolarHBondContact O-CB 3.47Å; E409-L413 WeakPolarHBondContact O-CG 3.27Å; E409-L413 PolarHBondContact O-N 3.21Å; E409-F437 HydrophobicContact CB-CE1 4.43Å; E409-F437 HydrophobicContact CB-CZ 4.4Å; E409-F437 HydrophobicContact CG-CE1 4.12Å; E409-F437 HydrophobicContact CG-CZ 4.32Å; E409-F504 HydrophobicContact CG-CB 4.12Å
410	K	94.8	Very high	88.4	Confident	25 Å²	25	46.6 Å²	46.6	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-42.8	176.2	172.9	-107.9	156.9	100.4	0	112.7	T406 V408 A414 T428 F437 G674 F675	T406-K410 PolarHBondContact O-N 3.39Å; T406-K410 VanDerWaalsContact O-N 3.17Å; V408-K410 VanDerWaalsContact C-N 3.27Å; V408-K410 PolarHBondContact O-N 2.75Å; K410-A414 WeakPolarHBondContact O-CB 3.46Å; K410-A414 PolarHBondContact O-N 3.37Å; K410-A414 VanDerWaalsContact O-N 3.13Å; K410-T428 HydrophobicContact CG-CG2 4.2Å; K410-F437 HydrophobicContact CB-CE1 3.77Å; K410-F437 HydrophobicContact CB-CZ 4.31Å; K410-G674 PolarHBondContact NZ-O 3.42Å; K410-F675 HydrophobicContact CB-CE2 4.43Å; K410-F675 PolarHBondContact NZ-O 2.94Å
411	R	94.8	Very high	89.7	Confident	95 Å²	95	43.2 Å²	43.2	36%	0.358	22%	0.219	S	C	.	.	H	α-helix	trans	-69.5	-43.5	179.1	-72.4	-172.8	-60.9	-94.4	4.2	112.3	M407 V408 E409 A414 L415 E509	M407-R411 WeakPolarHBondContact O-CG 3.47Å; M407-R411 PolarHBondContact O-N 3.29Å; M407-R411 VanDerWaalsContact O-N 3.15Å; M407-R411 PolarHBondContact O-NH1 2.79Å; V408-R411 PolarHBondContact O-N 3.44Å; E409-R411 PolarHBondContact O-N 3.46Å; R411-A414 PolarHBondContact O-N 3.24Å; R411-L415 PolarHBondContact O-N 2.87Å; R411-L415 VanDerWaalsContact O-N 3.11Å; R411-E509 IonicContact CZ-OE2 3.39Å; R411-E509 VanDerWaalsContact CZ-OE2 3.23Å; R411-E509 IonicContact NE-OE1 2.96Å; R411-E509 PolarHBondContact NE-OE1 2.99Å; R411-E509 IonicContact NE-OE2 3.21Å; R411-E509 PolarHBondContact NE-OE2 3.43Å; R411-E509 IonicContact NH2-OE2 2.75Å; R411-E509 PolarHBondContact NH2-OE2 2.97Å
412	V	94.8	Very high	90.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-47.8	179.1	176.7	0	0	0	0	110.5	V408 E409 A414 L415 A416 L476 I481 F504 C507 E509	V408-V412 HydrophobicContact CG1-CG2 3.97Å; V408-V412 WeakPolarHBondContact O-CG2 3.48Å; V408-V412 PolarHBondContact O-N 3.32Å; E409-V412 PolarHBondContact O-N 3.49Å; V412-A414 VanDerWaalsContact C-N 3.33Å; V412-A414 PolarHBondContact O-N 2.8Å; V412-L415 WeakPolarHBondContact O-CB 3.31Å; V412-L415 PolarHBondContact O-N 2.87Å; V412-L415 VanDerWaalsContact O-N 3.11Å; V412-A416 WeakPolarHBondContact O-CB 3.43Å; V412-A416 PolarHBondContact O-N 3.1Å; V412-L476 HydrophobicContact CG1-CD2 4.03Å; V412-I481 HydrophobicContact CG1-CD1 4.44Å; V412-I481 HydrophobicContact CG1-CG2 4.47Å; V412-I481 HydrophobicContact CG2-CD1 4.16Å; V412-I481 HydrophobicContact CG2-CG2 4.12Å; V412-F504 HydrophobicContact CB-CB 4.24Å; V412-F504 HydrophobicContact CG1-CB 3.98Å; V412-F504 HydrophobicContact CG1-CD1 3.54Å; V412-F504 HydrophobicContact CG1-CE1 4.25Å; V412-F504 HydrophobicContact CG1-CG 3.87Å; V412-C507 HydrophobicContact CG2-CB 3.94Å; V412-E509 HydrophobicContact CG2-CG 4.14Å
413	L	94.1	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-37.1	177.3	-83.3	171.9	0	0	0	113.1	E409 L415 A416 T423 L425 F437 M439 F504	E409-L413 HydrophobicContact CG-CD1 3.88Å; E409-L413 VanDerWaalsContact O-CB 3.29Å; E409-L413 WeakPolarHBondContact O-CB 3.47Å; E409-L413 WeakPolarHBondContact O-CG 3.27Å; E409-L413 PolarHBondContact O-N 3.21Å; L413-L415 VanDerWaalsContact C-N 3.29Å; L413-L415 PolarHBondContact O-N 3.45Å; L413-A416 PolarHBondContact O-N 2.83Å; L413-T423 WeakPolarHBondContact CD2-O 3.33Å; L413-L425 HydrophobicContact CB-CB 3.88Å; L413-L425 HydrophobicContact CB-CD2 3.77Å; L413-L425 HydrophobicContact CB-CG 4.32Å; L413-L425 HydrophobicContact CD1-CD1 4.42Å; L413-F437 HydrophobicContact CD1-CD1 3.86Å; L413-F437 HydrophobicContact CD1-CE1 4.23Å; L413-M439 HydrophobicContact CD1-SD 4.44Å; L413-F504 HydrophobicContact CD2-CD2 3.38Å; L413-F504 HydrophobicContact CD2-CE2 3.48Å; L413-F504 VanDerWaalsContact CD2-CE2 3.48Å; L413-F504 HydrophobicContact CD2-CG 4.48Å; L413-F504 HydrophobicContact CG-CD2 3.7Å; L413-F504 HydrophobicContact CG-CE2 4.29Å; L413-F504 HydrophobicContact CG-CG 4.44Å
414	A	92.3	Very high	92	Very high	32 Å²	32	35.6 Å²	35.6	26%	0.264	18%	0.176	S	C	.	.	H	α-helix	trans	-66.9	-31.3	175.5	0	0	0	0	0	112.5	K410 R411 V412 F677	K410-A414 WeakPolarHBondContact O-CB 3.46Å; K410-A414 PolarHBondContact O-N 3.37Å; K410-A414 VanDerWaalsContact O-N 3.13Å; R411-A414 PolarHBondContact O-N 3.24Å; V412-A414 VanDerWaalsContact C-N 3.33Å; V412-A414 PolarHBondContact O-N 2.8Å; A414-F677 HydrophobicContact CB-CE1 4.11Å; A414-F677 HydrophobicContact CB-CE2 4.25Å; A414-F677 HydrophobicContact CB-CZ 3.96Å
415	L	90.3	Very high	92.5	Very high	61 Å²	61	29.6 Å²	29.6	32%	0.319	15%	0.148	S	C	.	.	H	α-helix	trans	-78.7	-33.5	175.2	-177.4	67.1	0	0	0	112.6	R411 V412 L413 W417 F475 K479 I481	R411-L415 PolarHBondContact O-N 2.87Å; R411-L415 VanDerWaalsContact O-N 3.11Å; V412-L415 WeakPolarHBondContact O-CB 3.31Å; V412-L415 PolarHBondContact O-N 2.87Å; V412-L415 VanDerWaalsContact O-N 3.11Å; L413-L415 VanDerWaalsContact C-N 3.29Å; L413-L415 PolarHBondContact O-N 3.45Å; L415-W417 PolarHBondContact O-N 2.85Å; L415-W417 VanDerWaalsContact O-N 3.11Å; L415-F475 HydrophobicContact CG-CZ 4.47Å; L415-K479 HydrophobicContact CD2-CB 3.82Å; L415-K479 HydrophobicContact CD2-CD 4.11Å; L415-K479 HydrophobicContact CD2-CG 3.75Å; L415-I481 HydrophobicContact CD2-CD1 3.78Å
416	A	85.8	Confident	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-65.5	-11.2	-174.8	0	0	0	0	0	114.6	V412 L413 E418 N419 L422	V412-A416 WeakPolarHBondContact O-CB 3.43Å; V412-A416 PolarHBondContact O-N 3.1Å; L413-A416 PolarHBondContact O-N 2.83Å; A416-E418 PolarHBondContact O-N 2.81Å; A416-E418 VanDerWaalsContact O-N 3.09Å; A416-N419 PolarHBondContact O-N 3.4Å; A416-L422 HydrophobicContact CB-CB 3.85Å; A416-L422 HydrophobicContact CB-CD1 3.68Å; A416-L422 HydrophobicContact CB-CG 4.43Å
417	W	86.6	Confident	93.2	Very high	73 Å²	73	28.3 Å²	28.3	28%	0.277	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-53.7	-31.6	-178.2	-172.9	-98.4	0	0	0	114.4	L415 N419 H424 L425 Y426 N679 K681	L415-W417 PolarHBondContact O-N 2.85Å; L415-W417 VanDerWaalsContact O-N 3.11Å; W417-N419 VanDerWaalsContact C-N 3.29Å; W417-N419 PolarHBondContact O-N 2.96Å; W417-H424 HydrophobicContact CE3-CB 3.69Å; W417-H424 AromaticContact CE3-CG 3.99Å; W417-H424 HydrophobicContact CZ3-CB 3.61Å; W417-H424 PolarHBondContact O-NE2 2.87Å; W417-L425 WeakPolarHBondContact CZ3-O 3.2Å; W417-Y426 HydrophobicContact CH2-CE1 4.24Å; W417-Y426 HydrophobicContact CH2-CE2 4.5Å; W417-Y426 HydrophobicContact CZ3-CD2 4.48Å; W417-Y426 HydrophobicContact CZ3-CE2 4.45Å; W417-N679 WeakPolarHBondContact CZ3-ND2 3.36Å; W417-K681 HydrophobicContact CH2-CB 4.1Å; W417-K681 HydrophobicContact CH2-CD 3.69Å; W417-K681 HydrophobicContact CZ2-CB 3.94Å; W417-K681 HydrophobicContact CZ2-CD 3.7Å; W417-K681 HydrophobicContact CZ2-CG 4.47Å
418	E	80.4	Confident	93.4	Very high	144 Å²	144	27.4 Å²	27.4	67%	0.673	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-75.5	-15.7	-179.3	-63.9	178.7	171.7	0	0	113.3	A416	A416-E418 PolarHBondContact O-N 2.81Å; A416-E418 VanDerWaalsContact O-N 3.09Å
419	N	92.8	Very high	93.6	Very high	16 Å²	16	27.1 Å²	27.1	9%	0.086	13%	0.13	C	C	.	.			trans	-101.4	127.2	-174.1	-168.1	-74.6	0	0	0	111.6	A416 W417 F421 L422 H424 F475	A416-N419 PolarHBondContact O-N 3.4Å; W417-N419 VanDerWaalsContact C-N 3.29Å; W417-N419 PolarHBondContact O-N 2.96Å; N419-F421 VanDerWaalsContact C-N 3.26Å; N419-F421 PolarHBondContact O-N 3.47Å; N419-F421 WeakPolarHBondContact OD1-CA 3.29Å; N419-F421 WeakPolarHBondContact OD1-CB 3.47Å; N419-F421 PolarHBondContact OD1-N 3.35Å; N419-L422 HydrophobicContact CB-CB 4.33Å; N419-L422 HydrophobicContact CB-CD1 3.95Å; N419-L422 HydrophobicContact CB-CG 3.94Å; N419-L422 PolarHBondContact OD1-N 3.25Å; N419-H424 PolarHBondContact O-NE2 3.4Å; N419-F475 HydrophobicContact CB-CD1 4.06Å; N419-F475 HydrophobicContact CB-CD2 4.32Å; N419-F475 HydrophobicContact CB-CE1 4.2Å; N419-F475 HydrophobicContact CB-CE2 4.45Å; N419-F475 HydrophobicContact CB-CG 4.11Å; N419-F475 HydrophobicContact CB-CZ 4.39Å; N419-F475 VanDerWaalsContact ND2-CB 3.28Å; N419-F475 WeakPolarHBondContact ND2-CB 3.41Å; N419-F475 WeakPolarHBondContact ND2-CG 3.37Å
420	P	95.7	Very high	93.6	Very high	34 Å²	34	29.6 Å²	29.6	22%	0.221	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.1	-179	25.6	-32.6	0	0	0	114.3	K500 R626	P420-K500 WeakPolarHBondContact O-CD 3.4Å; P420-K500 WeakPolarHBondContact O-CE 3.43Å; P420-K500 PolarHBondContact O-NZ 3.17Å; P420-R626 HydrophobicContact CB-CG 4.09Å
421	F	97.8	Very high	93.5	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.7	-174.4	-50.7	-57.9	0	0	0	113.7	N419 E468 C471 I499 K500 I501 L623 R626	N419-F421 VanDerWaalsContact C-N 3.26Å; N419-F421 PolarHBondContact O-N 3.47Å; N419-F421 WeakPolarHBondContact OD1-CA 3.29Å; N419-F421 WeakPolarHBondContact OD1-CB 3.47Å; N419-F421 PolarHBondContact OD1-N 3.35Å; F421-E468 HydrophobicContact CD1-CB 3.83Å; F421-E468 HydrophobicContact CD1-CG 4.03Å; F421-E468 HydrophobicContact CE1-CB 3.9Å; F421-E468 VanDerWaalsContact CE1-CD 3.43Å; F421-E468 HydrophobicContact CE1-CG 3.59Å; F421-E468 VanDerWaalsContact CE1-OE1 3.23Å; F421-E468 WeakPolarHBondContact CE1-OE1 3.47Å; F421-E468 HydrophobicContact CG-CB 4.15Å; F421-E468 HydrophobicContact CZ-CB 4.25Å; F421-E468 HydrophobicContact CZ-CG 3.87Å; F421-C471 HydrophobicContact CD2-CB 3.55Å; F421-C471 HydrophobicContact CE2-CB 3.65Å; F421-I499 WeakPolarHBondContact CA-O 3.43Å; F421-K500 CarbonylContact O-C 3.58Å; F421-K500 WeakPolarHBondContact O-CA 3.24Å; F421-I501 PolarHBondContact O-N 2.66Å; F421-L623 HydrophobicContact CZ-CG 4.32Å; F421-L623 WeakPolarHBondContact CZ-O 3.1Å; F421-R626 HydrophobicContact CE1-CG 4.2Å; F421-R626 HydrophobicContact CZ-CG 4.46Å
422	L	97.5	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-113.2	147.3	171.6	-57.6	-176.4	0	0	0	109.5	A416 N419 H424 F475 L476 K500 I501 F504	A416-L422 HydrophobicContact CB-CB 3.85Å; A416-L422 HydrophobicContact CB-CD1 3.68Å; A416-L422 HydrophobicContact CB-CG 4.43Å; N419-L422 HydrophobicContact CB-CB 4.33Å; N419-L422 HydrophobicContact CB-CD1 3.95Å; N419-L422 HydrophobicContact CB-CG 3.94Å; N419-L422 PolarHBondContact OD1-N 3.25Å; L422-H424 PolarHBondContact O-CD2 3.46Å; L422-H424 VanDerWaalsContact O-CD2 3.25Å; L422-H424 PolarHBondContact O-N 2.89Å; L422-F475 HydrophobicContact CD1-CD1 3.6Å; L422-F475 HydrophobicContact CD1-CE1 3.89Å; L422-L476 HydrophobicContact CD1-CD2 3.85Å; L422-L476 HydrophobicContact CD1-CG 4.14Å; L422-L476 HydrophobicContact CD2-CD1 4.41Å; L422-K500 VanDerWaalsContact O-CD 3.27Å; L422-K500 WeakPolarHBondContact O-CD 3.49Å; L422-K500 PolarHBondContact O-NZ 2.88Å; L422-I501 HydrophobicContact CD2-CB 3.83Å; L422-I501 HydrophobicContact CD2-CD1 3.99Å; L422-I501 HydrophobicContact CD2-CG1 4.26Å; L422-F504 HydrophobicContact CB-CZ 4.09Å; L422-F504 HydrophobicContact CD2-CE1 4.15Å; L422-F504 HydrophobicContact CD2-CZ 4.05Å; L422-F504 HydrophobicContact CG-CZ 4.46Å
423	T	96.8	Very high	93.1	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63	132.6	175.7	-57.2	0	0	0	0	111.2	L413 M439 E440 L442 I501 A502	L413-T423 WeakPolarHBondContact CD2-O 3.33Å; T423-M439 HydrophobicContact CG2-CB 4.09Å; T423-M439 HydrophobicContact CG2-SD 4.35Å; T423-E440 WeakPolarHBondContact CA-OE1 3.44Å; T423-E440 HydrophobicContact CG2-CG 4.08Å; T423-L442 HydrophobicContact CG2-CD1 4.39Å; T423-I501 PolarHBondContact N-O 3.22Å; T423-I501 PolarHBondContact OG1-O 2.5Å; T423-A502 WeakPolarHBondContact OG1-CA 3.45Å; T423-A502 WeakPolarHBondContact OG1-CB 3.35Å
424	H	95.9	Very high	93.1	Very high	31 Å²	31	36.1 Å²	36.1	14%	0.144	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-90.8	133.6	-176.5	-68.9	167.1	0	0	0	112.5	W417 N419 L422 M439 E440 K500	W417-H424 HydrophobicContact CE3-CB 3.69Å; W417-H424 AromaticContact CE3-CG 3.99Å; W417-H424 HydrophobicContact CZ3-CB 3.61Å; W417-H424 PolarHBondContact O-NE2 2.87Å; N419-H424 PolarHBondContact O-NE2 3.4Å; L422-H424 PolarHBondContact O-CD2 3.46Å; L422-H424 VanDerWaalsContact O-CD2 3.25Å; L422-H424 PolarHBondContact O-N 2.89Å; H424-M439 WeakPolarHBondContact O-CA 3.43Å; H424-E440 HydrophobicContact CB-CB 4.44Å; H424-E440 HydrophobicContact CB-CG 4.17Å; H424-E440 VanDerWaalsContact CB-OE1 3.3Å; H424-E440 WeakPolarHBondContact CB-OE1 3.33Å; H424-E440 IonicContact CD2-OE1 3.04Å; H424-E440 IonicContact CG-OE1 2.74Å; H424-E440 PolarHBondContact N-OE1 3.14Å; H424-E440 IonicContact ND1-OE1 2.55Å; H424-E440 PolarHBondContact O-N 3.32Å; H424-K500 PolarHBondContact CE1-NZ 3.06Å; H424-K500 VanDerWaalsContact CE1-NZ 3.29Å; H424-K500 PolarHBondContact ND1-NZ 3.25Å; H424-K500 PolarHBondContact NE2-NZ 2.9Å
425	L	96.6	Very high	93.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.7	176.8	179.7	73.5	0	0	0	111.5	L413 W417 C427 T428 F437 M439 F677	L413-L425 HydrophobicContact CB-CB 3.88Å; L413-L425 HydrophobicContact CB-CD2 3.77Å; L413-L425 HydrophobicContact CB-CG 4.32Å; L413-L425 HydrophobicContact CD1-CD1 4.42Å; W417-L425 WeakPolarHBondContact CZ3-O 3.2Å; L425-C427 WeakPolarHBondContact CD1-O 3.39Å; L425-T428 HydrophobicContact CD1-CG2 3.95Å; L425-T428 HydrophobicContact CD2-CG2 3.99Å; L425-T428 HydrophobicContact CG-CG2 4.48Å; L425-F437 HydrophobicContact CD1-CB 4.18Å; L425-F437 HydrophobicContact CD1-CD1 4.19Å; L425-M439 HydrophobicContact CD1-CG 4.16Å; L425-F677 HydrophobicContact CD2-CD1 3.97Å; L425-F677 HydrophobicContact CD2-CE1 4.17Å
426	Y	95.5	Very high	93.5	Very high	24 Å²	24	31.7 Å²	31.7	9%	0.094	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-47.9	176.3	-79.1	-97.7	0	0	0	112	F387 W417 V438 E440 N679 K681 M682 L685	F387-Y426 AromaticContact CD1-CD2 3.99Å; F387-Y426 HydrophobicContact CD1-CD2 3.99Å; F387-Y426 HydrophobicContact CD1-CE2 4.33Å; F387-Y426 HydrophobicContact CD1-CG 4.21Å; F387-Y426 AromaticContact CE1-CD1 3.8Å; F387-Y426 HydrophobicContact CE1-CD1 3.8Å; F387-Y426 AromaticContact CE1-CD2 3.78Å; F387-Y426 HydrophobicContact CE1-CD2 3.78Å; F387-Y426 HydrophobicContact CE1-CE1 4.01Å; F387-Y426 AromaticContact CE1-CE2 3.99Å; F387-Y426 HydrophobicContact CE1-CE2 3.99Å; F387-Y426 AromaticContact CE1-CG 3.69Å; F387-Y426 HydrophobicContact CE1-CG 3.69Å; W417-Y426 HydrophobicContact CH2-CE1 4.24Å; W417-Y426 HydrophobicContact CH2-CE2 4.5Å; W417-Y426 HydrophobicContact CZ3-CD2 4.48Å; W417-Y426 HydrophobicContact CZ3-CE2 4.45Å; Y426-V438 WeakPolarHBondContact CB-O 3.43Å; Y426-V438 PolarHBondContact N-O 3.02Å; Y426-E440 HydrophobicContact CE2-CB 3.97Å; Y426-N679 WeakPolarHBondContact O-CB 3.28Å; Y426-N679 PolarHBondContact O-N 2.68Å; Y426-K681 HydrophobicContact CE1-CB 4.49Å; Y426-K681 HydrophobicContact CE1-CD 3.74Å; Y426-K681 HydrophobicContact CE1-CG 4.07Å; Y426-K681 PolarHBondContact OH-NZ 2.85Å; Y426-M682 HydrophobicContact CD1-CB 4.19Å; Y426-M682 HydrophobicContact CD1-SD 4.21Å; Y426-M682 WeakPolarHBondContact O-CB 3.39Å; Y426-L685 HydrophobicContact CD1-CD1 4.15Å; Y426-L685 HydrophobicContact CE1-CD1 3.83Å
427	C	96.2	Very high	94.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	165.2	174.2	66.1	0	0	0	0	111.8	L425 V438 F677 I678 M682	L425-C427 WeakPolarHBondContact CD1-O 3.39Å; C427-V438 PolarHBondContact N-O 3.25Å; C427-V438 WeakPolarHBondContact O-CB 3.42Å; C427-V438 PolarHBondContact O-N 3.18Å; C427-V438 WeakPolarHBondContact SG-CG2 3.5Å; C427-F677 CarbonylContact C-O 3.51Å; C427-F677 WeakPolarHBondContact CA-O 3.36Å; C427-F677 WeakPolarHBondContact CB-O 3.29Å; C427-I678 HydrophobicContact CB-CB 4.34Å; C427-I678 HydrophobicContact CB-CG1 4.14Å; C427-M682 HydrophobicContact CB-CG 4.16Å
428	T	97	Very high	94.6	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142	165.6	51.5	0	0	0	0	109.2	K410 L425 F436 F437 F675 S676 F677	K410-T428 HydrophobicContact CG-CG2 4.2Å; L425-T428 HydrophobicContact CD1-CG2 3.95Å; L425-T428 HydrophobicContact CD2-CG2 3.99Å; L425-T428 HydrophobicContact CG-CG2 4.48Å; T428-F436 WeakPolarHBondContact CA-O 3Å; T428-F436 WeakPolarHBondContact CB-O 3.27Å; T428-F437 HydrophobicContact CG2-CB 4.44Å; T428-F437 HydrophobicContact CG2-CD1 3.53Å; T428-F437 HydrophobicContact CG2-CE1 4Å; T428-F437 HydrophobicContact CG2-CG 4.05Å; T428-F675 HydrophobicContact CG2-CE1 4.26Å; T428-F675 HydrophobicContact CG2-CZ 4.02Å; T428-F675 PolarHBondContact OG1-O 3.28Å; T428-S676 VanDerWaalsContact O-CA 3.31Å; T428-S676 WeakPolarHBondContact O-CA 2.98Å; T428-F677 PolarHBondContact N-O 2.68Å; T428-F677 PolarHBondContact O-N 3.05Å; T428-F677 VanDerWaalsContact O-N 3.08Å; T428-F677 WeakPolarHBondContact OG1-CB 3.48Å; T428-F677 PolarHBondContact OG1-N 2.91Å
429	F	96.1	Very high	95.3	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.048	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.8	174.3	67.6	-88.2	0	0	0	109.7	V356 V358 F361 F436 V438 F675	V356-F429 HydrophobicContact CB-CD1 4.49Å; V356-F429 HydrophobicContact CG1-CD1 3.8Å; V356-F429 HydrophobicContact CG1-CE1 4.03Å; V356-F429 HydrophobicContact CG1-CG 4.43Å; V358-F429 HydrophobicContact CB-CE2 4.26Å; F361-F429 HydrophobicContact CD2-CE1 4.4Å; F361-F429 HydrophobicContact CD2-CZ 4.38Å; F361-F429 AromaticContact CE2-CE1 3.85Å; F361-F429 HydrophobicContact CE2-CE1 3.85Å; F361-F429 HydrophobicContact CE2-CZ 4.26Å; F429-F436 HydrophobicContact CD1-CB 3.93Å; F429-F436 HydrophobicContact CD2-CB 4.17Å; F429-F436 AromaticContact CD2-CD2 3.69Å; F429-F436 HydrophobicContact CD2-CD2 3.69Å; F429-F436 HydrophobicContact CD2-CE2 4.42Å; F429-F436 HydrophobicContact CD2-CG 4.14Å; F429-F436 HydrophobicContact CE1-CB 3.61Å; F429-F436 HydrophobicContact CE1-CG 4.09Å; F429-F436 HydrophobicContact CE2-CB 3.86Å; F429-F436 HydrophobicContact CE2-CD1 4.24Å; F429-F436 AromaticContact CE2-CD2 3.27Å; F429-F436 HydrophobicContact CE2-CD2 3.27Å; F429-F436 AromaticContact CE2-CE2 3.81Å; F429-F436 HydrophobicContact CE2-CE2 3.81Å; F429-F436 AromaticContact CE2-CG 3.52Å; F429-F436 HydrophobicContact CE2-CG 3.52Å; F429-F436 HydrophobicContact CE2-CZ 4.47Å; F429-F436 HydrophobicContact CG-CB 4.2Å; F429-F436 HydrophobicContact CG-CD2 4.49Å; F429-F436 HydrophobicContact CZ-CB 3.57Å; F429-F436 AromaticContact CZ-CD1 3.97Å; F429-F436 HydrophobicContact CZ-CD1 3.97Å; F429-F436 AromaticContact CZ-CD2 3.79Å; F429-F436 HydrophobicContact CZ-CD2 3.79Å; F429-F436 HydrophobicContact CZ-CE2 4.48Å; F429-F436 AromaticContact CZ-CG 3.5Å; F429-F436 HydrophobicContact CZ-CG 3.5Å; F429-F436 VanDerWaalsContact CZ-CG 3.5Å; F429-F436 PolarHBondContact N-O 3.18Å; F429-F436 VanDerWaalsContact N-O 3.13Å; F429-F436 WeakPolarHBondContact O-CB 3.48Å; F429-F436 PolarHBondContact O-N 3.22Å; F429-V438 HydrophobicContact CD1-CG2 4.13Å; F429-V438 HydrophobicContact CE1-CG2 3.68Å; F429-F675 VanDerWaalsContact O-CE1 3.29Å; F429-F675 WeakPolarHBondContact O-CE1 3.48Å
430	Q	94.6	Very high	95.5	Very high	57 Å²	57	23.1 Å²	23.1	27%	0.266	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.7	-176.7	58.4	178.5	-54.9	0	0	111.3	H434 L435 F672 F675	Q430-H434 WeakPolarHBondContact CA-O 3.38Å; Q430-L435 HydrophobicContact CB-CD2 3.69Å; Q430-F672 PolarHBondContact NE2-O 3.06Å; Q430-F675 HydrophobicContact CB-CD1 4.06Å
431	T	92.7	Very high	95.6	Very high	50 Å²	50	22.7 Å²	22.7	31%	0.307	11%	0.107	S	C	.	.			trans	-108.8	-173	166.4	65.2	0	0	0	0	109.2	K394 E433 H434 F436	K394-T431 WeakPolarHBondContact CE-O 3.49Å; K394-T431 PolarHBondContact NZ-O 3.36Å; T431-E433 PolarHBondContact O-N 3.35Å; T431-E433 PolarHBondContact OG1-N 3.15Å; T431-H434 PolarHBondContact N-O 2.98Å; T431-H434 PolarHBondContact OG1-N 3.32Å; T431-H434 VanDerWaalsContact OG1-N 3.08Å; T431-F436 HydrophobicContact CG2-CE2 3.76Å
432	K	90.3	Very high	95.5	Very high	147 Å²	147	23 Å²	23	64%	0.639	11%	0.108	S	C	*	.	S	Bend	trans	-61.4	-28.4	172.4	-70.5	-170.8	174.2	-170.3	0	112.9	I664 M667 Q669	K432-I664 HydrophobicContact CB-CG2 4.14Å; K432-M667 VanDerWaalsContact O-CE 3.26Å; K432-M667 WeakPolarHBondContact O-CE 3.23Å; K432-Q669 PolarHBondContact O-NE2 3.14Å
433	E	90.1	Very high	95.4	Very high	55 Å²	55	23.5 Å²	23.5	26%	0.257	11%	0.111	S	C	.	.	S	Bend	trans	-111	-31.3	-168.8	-52.3	-173.5	179.2	0	0	113	K394 T431 I664	K394-E433 PolarHBondContact N-O 2.86Å; T431-E433 PolarHBondContact O-N 3.35Å; T431-E433 PolarHBondContact OG1-N 3.15Å; E433-I664 HydrophobicContact CB-CD1 4.34Å; E433-I664 HydrophobicContact CG-CD1 3.47Å; E433-I664 VanDerWaalsContact CG-CD1 3.47Å; E433-I664 HydrophobicContact CG-CG1 4.12Å; E433-I664 HydrophobicContact CG-CG2 4.47Å
434	H	93.7	Very high	95.4	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.037	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.9	-167.2	-67.9	84.4	0	0	0	112.7	L392 Q430 T431 F436 S657	L392-H434 CarbonylContact O-C 3.56Å; L392-H434 WeakPolarHBondContact O-CA 3.3Å; L392-H434 WeakPolarHBondContact O-CB 3.28Å; Q430-H434 WeakPolarHBondContact CA-O 3.38Å; T431-H434 PolarHBondContact N-O 2.98Å; T431-H434 PolarHBondContact OG1-N 3.32Å; T431-H434 VanDerWaalsContact OG1-N 3.08Å; H434-F436 HydrophobicContact CB-CD2 4.24Å; H434-F436 HydrophobicContact CB-CE1 4.4Å; H434-F436 HydrophobicContact CB-CE2 3.41Å; H434-F436 VanDerWaalsContact CB-CE2 3.41Å; H434-F436 HydrophobicContact CB-CZ 3.52Å; H434-S657 PolarHBondContact CE1-O 2.73Å; H434-S657 PolarHBondContact NE2-O 3.04Å
435	L	95.1	Very high	95.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137	166.7	-57.1	173.1	0	0	0	108.5	A391 L392 K394 T406 Q430 F672 F675	A391-L435 WeakPolarHBondContact CA-O 3.45Å; L392-L435 HydrophobicContact CB-CB 4.3Å; L392-L435 PolarHBondContact N-O 2.87Å; L392-L435 PolarHBondContact O-N 2.76Å; K394-L435 HydrophobicContact CD-CD2 4.44Å; K394-L435 VanDerWaalsContact CE-CD2 3.46Å; K394-L435 HydrophobicContact CG-CD1 4.48Å; K394-L435 HydrophobicContact CG-CD2 4.14Å; K394-L435 HydrophobicContact CG-CG 3.91Å; T406-L435 HydrophobicContact CG2-CD1 3.68Å; Q430-L435 HydrophobicContact CB-CD2 3.69Å; L435-F672 HydrophobicContact CD1-CD1 3.62Å; L435-F672 HydrophobicContact CD1-CE1 3.61Å; L435-F672 HydrophobicContact CD1-CG 4.36Å; L435-F672 HydrophobicContact CD1-CZ 4.33Å; L435-F672 HydrophobicContact CD2-CB 4.16Å; L435-F672 HydrophobicContact CD2-CD1 4.1Å; L435-F672 HydrophobicContact CD2-CG 4.07Å; L435-F672 HydrophobicContact CG-CD1 4.42Å; L435-F675 HydrophobicContact CB-CE1 3.91Å; L435-F675 HydrophobicContact CB-CE2 4.25Å; L435-F675 HydrophobicContact CB-CZ 3.73Å; L435-F675 HydrophobicContact CD1-CE2 4.38Å; L435-F675 HydrophobicContact CD2-CD1 3.89Å; L435-F675 HydrophobicContact CD2-CD2 4.28Å; L435-F675 HydrophobicContact CD2-CE1 4.06Å; L435-F675 HydrophobicContact CD2-CE2 4.45Å; L435-F675 HydrophobicContact CD2-CG 4.01Å; L435-F675 HydrophobicContact CD2-CZ 4.36Å; L435-F675 HydrophobicContact CG-CZ 4.47Å
436	F	96.9	Very high	95.2	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.8	-176.9	-61	-91.9	0	0	0	110.9	V358 F363 I389 K390 A391 T428 F429 T431 H434 L656	V358-F436 HydrophobicContact CG2-CE1 4.38Å; V358-F436 HydrophobicContact CG2-CZ 4.31Å; F363-F436 HydrophobicContact CZ-CE1 4.48Å; I389-F436 HydrophobicContact CG2-CB 4.34Å; I389-F436 HydrophobicContact CG2-CD1 3.81Å; K390-F436 WeakPolarHBondContact O-CA 3.17Å; A391-F436 HydrophobicContact CB-CD1 3.89Å; A391-F436 HydrophobicContact CB-CE1 3.83Å; T428-F436 WeakPolarHBondContact CA-O 3Å; T428-F436 WeakPolarHBondContact CB-O 3.27Å; F429-F436 HydrophobicContact CD1-CB 3.93Å; F429-F436 HydrophobicContact CD2-CB 4.17Å; F429-F436 AromaticContact CD2-CD2 3.69Å; F429-F436 HydrophobicContact CD2-CD2 3.69Å; F429-F436 HydrophobicContact CD2-CE2 4.42Å; F429-F436 HydrophobicContact CD2-CG 4.14Å; F429-F436 HydrophobicContact CE1-CB 3.61Å; F429-F436 HydrophobicContact CE1-CG 4.09Å; F429-F436 HydrophobicContact CE2-CB 3.86Å; F429-F436 HydrophobicContact CE2-CD1 4.24Å; F429-F436 AromaticContact CE2-CD2 3.27Å; F429-F436 HydrophobicContact CE2-CD2 3.27Å; F429-F436 AromaticContact CE2-CE2 3.81Å; F429-F436 HydrophobicContact CE2-CE2 3.81Å; F429-F436 AromaticContact CE2-CG 3.52Å; F429-F436 HydrophobicContact CE2-CG 3.52Å; F429-F436 HydrophobicContact CE2-CZ 4.47Å; F429-F436 HydrophobicContact CG-CB 4.2Å; F429-F436 HydrophobicContact CG-CD2 4.49Å; F429-F436 HydrophobicContact CZ-CB 3.57Å; F429-F436 AromaticContact CZ-CD1 3.97Å; F429-F436 HydrophobicContact CZ-CD1 3.97Å; F429-F436 AromaticContact CZ-CD2 3.79Å; F429-F436 HydrophobicContact CZ-CD2 3.79Å; F429-F436 HydrophobicContact CZ-CE2 4.48Å; F429-F436 AromaticContact CZ-CG 3.5Å; F429-F436 HydrophobicContact CZ-CG 3.5Å; F429-F436 VanDerWaalsContact CZ-CG 3.5Å; F429-F436 PolarHBondContact N-O 3.18Å; F429-F436 VanDerWaalsContact N-O 3.13Å; F429-F436 WeakPolarHBondContact O-CB 3.48Å; F429-F436 PolarHBondContact O-N 3.22Å; T431-F436 HydrophobicContact CG2-CE2 3.76Å; H434-F436 HydrophobicContact CB-CD2 4.24Å; H434-F436 HydrophobicContact CB-CE1 4.4Å; H434-F436 HydrophobicContact CB-CE2 3.41Å; H434-F436 VanDerWaalsContact CB-CE2 3.41Å; H434-F436 HydrophobicContact CB-CZ 3.52Å; F436-L656 HydrophobicContact CE1-CD1 4Å; F436-L656 HydrophobicContact CE1-CD2 3.89Å; F436-L656 HydrophobicContact CZ-CD1 3.83Å; F436-L656 HydrophobicContact CZ-CD2 4.4Å
437	F	97	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.7	166.5	-62.5	-104.1	0	0	0	108.8	I389 K390 L392 T406 E409 K410 L413 L425 T428 M439 F675	I389-F437 CarbonylContact C-O 3.57Å; I389-F437 VanDerWaalsContact CA-O 3.27Å; I389-F437 WeakPolarHBondContact CA-O 3.39Å; K390-F437 HydrophobicContact CB-CB 4.23Å; K390-F437 PolarHBondContact N-O 3.47Å; K390-F437 PolarHBondContact O-N 3.35Å; L392-F437 HydrophobicContact CD1-CE2 3.85Å; L392-F437 HydrophobicContact CG-CE2 4.47Å; T406-F437 HydrophobicContact CG2-CE2 4.17Å; T406-F437 HydrophobicContact CG2-CZ 3.98Å; E409-F437 HydrophobicContact CB-CE1 4.43Å; E409-F437 HydrophobicContact CB-CZ 4.4Å; E409-F437 HydrophobicContact CG-CE1 4.12Å; E409-F437 HydrophobicContact CG-CZ 4.32Å; K410-F437 HydrophobicContact CB-CE1 3.77Å; K410-F437 HydrophobicContact CB-CZ 4.31Å; L413-F437 HydrophobicContact CD1-CD1 3.86Å; L413-F437 HydrophobicContact CD1-CE1 4.23Å; L425-F437 HydrophobicContact CD1-CB 4.18Å; L425-F437 HydrophobicContact CD1-CD1 4.19Å; T428-F437 HydrophobicContact CG2-CB 4.44Å; T428-F437 HydrophobicContact CG2-CD1 3.53Å; T428-F437 HydrophobicContact CG2-CE1 4Å; T428-F437 HydrophobicContact CG2-CG 4.05Å; F437-M439 HydrophobicContact CB-CG 4.34Å; F437-M439 HydrophobicContact CB-SD 4.46Å; F437-F675 HydrophobicContact CD2-CZ 4.02Å; F437-F675 HydrophobicContact CE1-CE2 4.13Å; F437-F675 HydrophobicContact CE1-CZ 4.22Å; F437-F675 AromaticContact CE2-CE2 3.79Å; F437-F675 HydrophobicContact CE2-CE2 3.79Å; F437-F675 AromaticContact CE2-CZ 3.61Å; F437-F675 HydrophobicContact CE2-CZ 3.61Å; F437-F675 HydrophobicContact CG-CZ 4.47Å; F437-F675 AromaticContact CZ-CE2 3.52Å; F437-F675 HydrophobicContact CZ-CE2 3.52Å; F437-F675 AromaticContact CZ-CZ 3.74Å; F437-F675 HydrophobicContact CZ-CZ 3.74Å
438	V	97.3	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107	177.3	-174.4	0	0	0	0	108.4	F361 F387 I389 Y426 C427 F429	F361-V438 HydrophobicContact CE1-CG1 4.1Å; F361-V438 HydrophobicContact CE2-CG2 4.23Å; F361-V438 HydrophobicContact CZ-CG1 3.97Å; F361-V438 HydrophobicContact CZ-CG2 3.96Å; F387-V438 HydrophobicContact CB-CG1 3.89Å; F387-V438 HydrophobicContact CD1-CG1 3.71Å; F387-V438 HydrophobicContact CE1-CG1 4.43Å; F387-V438 HydrophobicContact CG-CG1 3.81Å; I389-V438 HydrophobicContact CD1-CG1 4.42Å; I389-V438 HydrophobicContact CD1-CG2 4.08Å; I389-V438 HydrophobicContact CG1-CG1 4.28Å; I389-V438 HydrophobicContact CG1-CG2 4.2Å; Y426-V438 WeakPolarHBondContact CB-O 3.43Å; Y426-V438 PolarHBondContact N-O 3.02Å; C427-V438 PolarHBondContact N-O 3.25Å; C427-V438 WeakPolarHBondContact O-CB 3.42Å; C427-V438 PolarHBondContact O-N 3.18Å; C427-V438 WeakPolarHBondContact SG-CG2 3.5Å; F429-V438 HydrophobicContact CD1-CG2 4.13Å; F429-V438 HydrophobicContact CE1-CG2 3.68Å
439	M	96.8	Very high	94.7	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.089	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	162.7	-173.3	-56.5	172.6	-65	0	0	110.8	F387 A388 K390 L413 T423 H424 L425 F437	F387-M439 WeakPolarHBondContact CA-O 3.23Å; F387-M439 WeakPolarHBondContact CB-O 3.5Å; A388-M439 HydrophobicContact CB-CE 4.46Å; A388-M439 PolarHBondContact N-O 2.84Å; A388-M439 WeakPolarHBondContact O-CB 3.29Å; A388-M439 PolarHBondContact O-N 3.49Å; K390-M439 HydrophobicContact CB-CE 3.69Å; L413-M439 HydrophobicContact CD1-SD 4.44Å; T423-M439 HydrophobicContact CG2-CB 4.09Å; T423-M439 HydrophobicContact CG2-SD 4.35Å; H424-M439 WeakPolarHBondContact O-CA 3.43Å; L425-M439 HydrophobicContact CD1-CG 4.16Å; F437-M439 HydrophobicContact CB-CG 4.34Å; F437-M439 HydrophobicContact CB-SD 4.46Å
440	E	96	Very high	94.6	Very high	34 Å²	34	26.1 Å²	26.1	16%	0.159	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	143.2	169	67.3	-177.8	136.3	0	0	111.4	T423 H424 Y426 L442 K500	T423-E440 WeakPolarHBondContact CA-OE1 3.44Å; T423-E440 HydrophobicContact CG2-CG 4.08Å; H424-E440 HydrophobicContact CB-CB 4.44Å; H424-E440 HydrophobicContact CB-CG 4.17Å; H424-E440 VanDerWaalsContact CB-OE1 3.3Å; H424-E440 WeakPolarHBondContact CB-OE1 3.33Å; H424-E440 IonicContact CD2-OE1 3.04Å; H424-E440 IonicContact CG-OE1 2.74Å; H424-E440 PolarHBondContact N-OE1 3.14Å; H424-E440 IonicContact ND1-OE1 2.55Å; H424-E440 PolarHBondContact O-N 3.32Å; Y426-E440 HydrophobicContact CE2-CB 3.97Å; E440-L442 HydrophobicContact CG-CD2 3.89Å; E440-L442 HydrophobicContact CG-CG 4.07Å; E440-K500 VanDerWaalsContact OE1-CE 3.31Å; E440-K500 WeakPolarHBondContact OE1-CE 3.47Å; E440-K500 IonicContact OE1-NZ 2.7Å; E440-K500 PolarHBondContact OE1-NZ 3.18Å; E440-K500 IonicContact OE2-NZ 3.46Å; E440-K500 PolarHBondContact OE2-NZ 3.45Å
441	Y	96.9	Very high	94.5	Very high	26 Å²	26	24 Å²	24	10%	0.102	11%	0.114	C	C	.	.			trans	-86.8	114.9	175.6	178.2	-130.4	0	0	0	110.9	L367 L377 A388 N443 P639 D641 F645	L367-Y441 HydrophobicContact CD1-CD2 3.89Å; L367-Y441 HydrophobicContact CD1-CE2 3.6Å; L367-Y441 HydrophobicContact CD2-CE2 4.06Å; L367-Y441 HydrophobicContact CG-CE2 4.49Å; L377-Y441 HydrophobicContact CD1-CD1 3.78Å; L377-Y441 HydrophobicContact CD1-CD2 3.77Å; L377-Y441 HydrophobicContact CD1-CE1 3.8Å; L377-Y441 HydrophobicContact CD1-CE2 3.81Å; L377-Y441 HydrophobicContact CD1-CG 3.77Å; L377-Y441 HydrophobicContact CD2-CE1 4.49Å; A388-Y441 HydrophobicContact CB-CD2 4.46Å; Y441-N443 HydrophobicContact CD1-CB 4.19Å; Y441-N443 HydrophobicContact CE1-CB 3.56Å; Y441-N443 HydrophobicContact CE2-CB 4.44Å; Y441-P639 WeakPolarHBondContact CD1-O 3.45Å; Y441-P639 WeakPolarHBondContact CE1-O 3.34Å; Y441-D641 PolarHBondContact OH-O 2.86Å; Y441-F645 AromaticContact CE2-CE2 3.88Å; Y441-F645 HydrophobicContact CE2-CE2 3.88Å; Y441-F645 AromaticContact CE2-CZ 3.75Å; Y441-F645 HydrophobicContact CE2-CZ 3.75Å; Y441-F645 AromaticContact CZ-CE2 3.97Å; Y441-F645 VanDerWaalsContact OH-CE2 3.28Å; Y441-F645 WeakPolarHBondContact OH-CE2 3.49Å
442	L	96.7	Very high	94.3	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	13%	0.13	C	C	.	.			trans	-102	96.8	-180	-59.6	175.4	0	0	0	110.1	T423 E440 M492 D494 K500 F645	T423-L442 HydrophobicContact CG2-CD1 4.39Å; E440-L442 HydrophobicContact CG-CD2 3.89Å; E440-L442 HydrophobicContact CG-CG 4.07Å; L442-M492 HydrophobicContact CB-CB 4.29Å; L442-M492 HydrophobicContact CB-CE 4.11Å; L442-M492 HydrophobicContact CB-SD 4.19Å; L442-M492 HydrophobicContact CD1-CB 3.84Å; L442-M492 HydrophobicContact CD1-CG 4.42Å; L442-M492 HydrophobicContact CD1-SD 3.96Å; L442-D494 HydrophobicContact CD2-CB 4.1Å; L442-K500 HydrophobicContact CD1-CB 3.42Å; L442-K500 VanDerWaalsContact CD1-CB 3.42Å; L442-K500 HydrophobicContact CD1-CG 3.88Å; L442-K500 HydrophobicContact CD2-CB 4.31Å; L442-K500 HydrophobicContact CD2-CD 4.5Å; L442-K500 HydrophobicContact CD2-CG 3.81Å; L442-F645 VanDerWaalsContact O-CZ 3.31Å; L442-F645 WeakPolarHBondContact O-CZ 3.36Å
443	N	95.3	Very high	93.9	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.059	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.5	-173.1	61.3	3.4	0	0	0	114.9	Y441 G445 H495 V636 P639 N644	Y441-N443 HydrophobicContact CD1-CB 4.19Å; Y441-N443 HydrophobicContact CE1-CB 3.56Å; Y441-N443 HydrophobicContact CE2-CB 4.44Å; N443-G445 VanDerWaalsContact C-N 3.29Å; N443-H495 WeakPolarHBondContact OD1-CB 3.47Å; N443-V636 WeakPolarHBondContact ND2-CG1 2.96Å; N443-P639 PolarHBondContact ND2-O 3.31Å; N443-N644 PolarHBondContact O-ND2 3.45Å
444	G	95.8	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.3	175.6	0	0	0	0	0	113.6	H450 L493	G444-H450 PolarHBondContact O-NE2 3.24Å; G444-L493 WeakPolarHBondContact CA-O 3.27Å; G444-L493 PolarHBondContact N-O 3.29Å
445	G	94.4	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.			trans	81.9	164	-174.5	0	0	0	0	0	112.8	N443 L493 N644	N443-G445 VanDerWaalsContact C-N 3.29Å; G445-L493 PolarHBondContact O-N 2.93Å; G445-N644 WeakPolarHBondContact CA-O 3.38Å
446	D	94.9	Very high	93.4	Very high	33 Å²	33	37.9 Å²	37.9	18%	0.176	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-82.9	161.5	176.2	60.5	74.9	0	0	0	113	M448 F449 H450 V491 M492	D446-M448 PolarHBondContact O-N 2.73Å; D446-M448 WeakPolarHBondContact OD1-CA 3.45Å; D446-M448 VanDerWaalsContact OD1-CB 3.22Å; D446-M448 WeakPolarHBondContact OD1-CB 3.25Å; D446-M448 PolarHBondContact OD1-N 3.29Å; D446-F449 PolarHBondContact O-N 3.41Å; D446-F449 PolarHBondContact OD1-N 3.46Å; D446-H450 PolarHBondContact O-CD2 2.98Å; D446-H450 PolarHBondContact O-N 2.87Å; D446-V491 CarbonylContact C-O 3.55Å; D446-V491 WeakPolarHBondContact CA-O 3.42Å; D446-M492 HydrophobicContact CB-CG 4.47Å
447	L	96.1	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-26.2	-179.3	-68.7	-170.8	0	0	0	112.8	H450 I451 F457 Y465 L488 V491 L493 I499 M553	L447-H450 PolarHBondContact O-N 3.2Å; L447-I451 WeakPolarHBondContact O-CB 3.32Å; L447-I451 PolarHBondContact O-N 3.46Å; L447-F457 HydrophobicContact CD2-CE2 4.08Å; L447-F457 HydrophobicContact CD2-CZ 4.27Å; L447-Y465 HydrophobicContact CD1-CD2 4.35Å; L447-Y465 HydrophobicContact CD2-CD2 3.85Å; L447-Y465 HydrophobicContact CD2-CE2 3.69Å; L447-L488 HydrophobicContact CB-CB 4.36Å; L447-L488 HydrophobicContact CB-CD2 3.8Å; L447-L488 HydrophobicContact CD1-CD2 4.29Å; L447-L488 PolarHBondContact N-O 2.84Å; L447-V491 HydrophobicContact CD1-CB 3.94Å; L447-V491 HydrophobicContact CD1-CG1 3.56Å; L447-V491 HydrophobicContact CG-CB 4.09Å; L447-V491 HydrophobicContact CG-CG1 3.88Å; L447-V491 WeakPolarHBondContact CG-O 3.34Å; L447-V491 PolarHBondContact N-O 2.81Å; L447-L493 HydrophobicContact CD2-CD1 4.35Å; L447-L493 HydrophobicContact CD2-CD2 4.09Å; L447-L493 HydrophobicContact CD2-CG 4.16Å; L447-I499 HydrophobicContact CD1-CD1 3.94Å; L447-I499 HydrophobicContact CD2-CD1 3.94Å; L447-I499 HydrophobicContact CG-CD1 4.13Å; L447-M553 HydrophobicContact CD1-SD 3.98Å
448	M	92.3	Very high	93.4	Very high	43 Å²	43	42.6 Å²	42.6	21%	0.212	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-47	176.4	179	61.6	80.1	0	0	110.3	D446 H450 I451 Q452 L488	D446-M448 PolarHBondContact O-N 2.73Å; D446-M448 WeakPolarHBondContact OD1-CA 3.45Å; D446-M448 VanDerWaalsContact OD1-CB 3.22Å; D446-M448 WeakPolarHBondContact OD1-CB 3.25Å; D446-M448 PolarHBondContact OD1-N 3.29Å; M448-H450 VanDerWaalsContact C-N 3.32Å; M448-H450 PolarHBondContact O-N 3.03Å; M448-I451 WeakPolarHBondContact O-CG2 3.42Å; M448-I451 PolarHBondContact O-N 3.35Å; M448-I451 HydrophobicContact SD-CG2 4.13Å; M448-Q452 WeakPolarHBondContact O-CB 3.2Å; M448-Q452 VanDerWaalsContact O-CG 3.27Å; M448-Q452 WeakPolarHBondContact O-CG 3.48Å; M448-Q452 PolarHBondContact O-N 2.74Å; M448-Q452 HydrophobicContact SD-CG 4.16Å; M448-L488 HydrophobicContact CB-CB 3.91Å; M448-L488 HydrophobicContact CE-CB 4.1Å; M448-L488 HydrophobicContact CE-CD1 4.01Å; M448-L488 HydrophobicContact SD-CD1 4.35Å
449	F	90.6	Very high	93.4	Very high	56 Å²	56	46.2 Å²	46.2	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-46.6	174.2	178.5	-95.9	0	0	0	111.9	D446 Q452 E453 N644	D446-F449 PolarHBondContact O-N 3.41Å; D446-F449 PolarHBondContact OD1-N 3.46Å; F449-Q452 PolarHBondContact O-N 3.17Å; F449-E453 PolarHBondContact O-N 2.8Å; F449-N644 HydrophobicContact CE1-CB 4.21Å
450	H	93.4	Very high	93.4	Very high	3 Å²	3	50 Å²	50	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-69.5	-33.6	-179	-75.4	-70.1	0	0	0	113.7	G444 D446 L447 M448 K454 F457 F632	G444-H450 PolarHBondContact O-NE2 3.24Å; D446-H450 PolarHBondContact O-CD2 2.98Å; D446-H450 PolarHBondContact O-N 2.87Å; L447-H450 PolarHBondContact O-N 3.2Å; M448-H450 VanDerWaalsContact C-N 3.32Å; M448-H450 PolarHBondContact O-N 3.03Å; H450-K454 PolarHBondContact O-N 2.95Å; H450-F457 HydrophobicContact CB-CE1 3.98Å; H450-F457 HydrophobicContact CB-CZ 3.88Å; H450-F632 AromaticContact CE1-CE1 3.54Å; H450-F632 AromaticContact CE1-CZ 3.64Å; H450-F632 AromaticContact ND1-CE1 3.6Å; H450-F632 AromaticContact ND1-CZ 3.55Å
451	I	92.1	Very high	93.5	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-75.7	-35.5	179	-151.9	171.5	0	0	0	111	L447 M448 E453 K454 G455 F457 L488 E552	L447-I451 WeakPolarHBondContact O-CB 3.32Å; L447-I451 PolarHBondContact O-N 3.46Å; M448-I451 WeakPolarHBondContact O-CG2 3.42Å; M448-I451 PolarHBondContact O-N 3.35Å; M448-I451 HydrophobicContact SD-CG2 4.13Å; I451-E453 VanDerWaalsContact C-N 3.29Å; I451-E453 PolarHBondContact O-N 3.36Å; I451-K454 PolarHBondContact O-N 2.99Å; I451-G455 CarbonylContact O-C 3.59Å; I451-G455 VanDerWaalsContact O-CA 3.27Å; I451-G455 WeakPolarHBondContact O-CA 3.39Å; I451-G455 PolarHBondContact O-N 3.44Å; I451-F457 HydrophobicContact CB-CE1 4.11Å; I451-F457 HydrophobicContact CB-CZ 3.95Å; I451-F457 HydrophobicContact CG1-CE1 4.25Å; I451-F457 HydrophobicContact CG1-CZ 4.32Å; I451-L488 HydrophobicContact CD1-CD1 4.38Å; I451-L488 HydrophobicContact CG2-CD1 4.05Å; I451-E552 VanDerWaalsContact CD1-O 3.26Å; I451-E552 WeakPolarHBondContact CD1-O 3.4Å
452	Q	88	Confident	93.5	Very high	136 Å²	136	47.7 Å²	47.7	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-60.7	-37.1	176.1	-74.5	175.6	-0.6	0	0	112.3	M448 F449	M448-Q452 WeakPolarHBondContact O-CB 3.2Å; M448-Q452 VanDerWaalsContact O-CG 3.27Å; M448-Q452 WeakPolarHBondContact O-CG 3.48Å; M448-Q452 PolarHBondContact O-N 2.74Å; M448-Q452 HydrophobicContact SD-CG 4.16Å; F449-Q452 PolarHBondContact O-N 3.17Å
453	E	82.6	Confident	93.6	Very high	135 Å²	135	47.7 Å²	47.7	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-70.6	-35.7	176.2	-166.3	-169.8	167.4	0	0	112.6	F449 I451	F449-E453 PolarHBondContact O-N 2.8Å; I451-E453 VanDerWaalsContact C-N 3.29Å; I451-E453 PolarHBondContact O-N 3.36Å
454	K	84.9	Confident	93.8	Very high	126 Å²	126	47.5 Å²	47.5	55%	0.548	24%	0.236	S	C	.	.	H	α-helix	trans	-99.7	-16.5	-172	-66.1	-64	-177.8	-172.1	0	114.7	H450 I451 R456	H450-K454 PolarHBondContact O-N 2.95Å; I451-K454 PolarHBondContact O-N 2.99Å; K454-R456 PolarHBondContact O-N 2.94Å
455	G	90.1	Very high	93.9	Very high	43 Å²	43	47.5 Å²	47.5	44%	0.443	24%	0.236	S	C	.	.	S	Bend	trans	75.2	-43.9	-166.5	0	0	0	0	0	113.6	I451 G556	I451-G455 CarbonylContact O-C 3.59Å; I451-G455 VanDerWaalsContact O-CA 3.27Å; I451-G455 WeakPolarHBondContact O-CA 3.39Å; I451-G455 PolarHBondContact O-N 3.44Å; G455-G556 WeakPolarHBondContact O-CA 3.42Å
456	R	94.3	Very high	94.1	Very high	111 Å²	111	47.5 Å²	47.5	42%	0.419	24%	0.236	S	C	.	.	S	Bend	trans	-159.3	164.1	177.1	60.9	179.6	177.9	161.9	-4.8	111.3	K454 W582	K454-R456 PolarHBondContact O-N 2.94Å; R456-W582 VanDerWaalsContact NH1-CE2 3.31Å
457	F	97.2	Very high	94.3	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	23%	0.227	C	C	.	.			trans	-92.1	152.1	173.4	-58.2	-28.9	0	0	0	111.9	L447 H450 I451 R461 A462 Y465 M553	L447-F457 HydrophobicContact CD2-CE2 4.08Å; L447-F457 HydrophobicContact CD2-CZ 4.27Å; H450-F457 HydrophobicContact CB-CE1 3.98Å; H450-F457 HydrophobicContact CB-CZ 3.88Å; I451-F457 HydrophobicContact CB-CE1 4.11Å; I451-F457 HydrophobicContact CB-CZ 3.95Å; I451-F457 HydrophobicContact CG1-CE1 4.25Å; I451-F457 HydrophobicContact CG1-CZ 4.32Å; F457-R461 HydrophobicContact CB-CB 4.26Å; F457-R461 HydrophobicContact CB-CG 4.24Å; F457-R461 HydrophobicContact CG-CG 4.27Å; F457-A462 HydrophobicContact CB-CB 4.39Å; F457-Y465 HydrophobicContact CD2-CD2 4.16Å; F457-Y465 HydrophobicContact CD2-CE2 4.28Å; F457-Y465 HydrophobicContact CE2-CD2 4.12Å; F457-Y465 HydrophobicContact CE2-CE2 4.09Å; F457-M553 HydrophobicContact CD2-CB 3.9Å; F457-M553 HydrophobicContact CD2-CG 3.71Å; F457-M553 HydrophobicContact CD2-SD 3.88Å; F457-M553 HydrophobicContact CE2-CG 3.91Å; F457-M553 HydrophobicContact CE2-SD 4.06Å; F457-M553 PolarHBondContact N-O 3.36Å
458	D	95.9	Very high	94.4	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	23%	0.227	S	C	.	.			trans	-69.8	162.9	167.8	67	90.8	0	0	0	110.7	N460 R461 A462	D458-N460 VanDerWaalsContact C-N 3.29Å; D458-N460 PolarHBondContact O-N 2.81Å; D458-N460 WeakPolarHBondContact OD1-CB 3.2Å; D458-N460 PolarHBondContact OD1-N 3.37Å; D458-R461 PolarHBondContact O-N 2.86Å; D458-R461 PolarHBondContact OD1-N 2.77Å; D458-R461 VanDerWaalsContact OD2-CB 3.29Å; D458-R461 WeakPolarHBondContact OD2-CB 3.47Å; D458-A462 WeakPolarHBondContact O-CB 3.36Å; D458-A462 PolarHBondContact O-N 3.29Å
459	L	96.6	Very high	94.7	Very high	75 Å²	75	43.9 Å²	43.9	39%	0.393	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-39.3	-175.3	179.7	65.6	0	0	0	112.7	T463 L554 N584 F614	L459-T463 VanDerWaalsContact O-CB 3.27Å; L459-T463 WeakPolarHBondContact O-CB 3.35Å; L459-T463 PolarHBondContact O-N 3.39Å; L459-T463 PolarHBondContact O-OG1 3.13Å; L459-L554 HydrophobicContact CD1-CD2 4.02Å; L459-N584 WeakPolarHBondContact CD2-ND2 3.2Å; L459-F614 HydrophobicContact CD1-CD2 4.48Å; L459-F614 HydrophobicContact CD1-CE2 3.66Å; L459-F614 HydrophobicContact CD1-CZ 4.36Å
460	N	97.3	Very high	95.1	Very high	98 Å²	98	41.2 Å²	41.2	52%	0.524	21%	0.206	S	C	.	.	H	α-helix	trans	-68.1	-47.2	-177.6	-173.9	29.8	0	0	0	110.2	D458 T463 F464	D458-N460 VanDerWaalsContact C-N 3.29Å; D458-N460 PolarHBondContact O-N 2.81Å; D458-N460 WeakPolarHBondContact OD1-CB 3.2Å; D458-N460 PolarHBondContact OD1-N 3.37Å; N460-T463 PolarHBondContact O-N 2.56Å; N460-F464 WeakPolarHBondContact O-CB 3.31Å; N460-F464 PolarHBondContact O-N 3.04Å
461	R	97.6	Very high	95.2	Very high	11 Å²	11	42 Å²	42	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-48.3	175.4	-173.8	174.7	-173.4	-164.6	-3.8	112.7	F457 D458 T463 F464 Y465 P631 F632	F457-R461 HydrophobicContact CB-CB 4.26Å; F457-R461 HydrophobicContact CB-CG 4.24Å; F457-R461 HydrophobicContact CG-CG 4.27Å; D458-R461 PolarHBondContact O-N 2.86Å; D458-R461 PolarHBondContact OD1-N 2.77Å; D458-R461 VanDerWaalsContact OD2-CB 3.29Å; D458-R461 WeakPolarHBondContact OD2-CB 3.47Å; R461-T463 PolarHBondContact O-N 3.42Å; R461-F464 PolarHBondContact O-N 2.62Å; R461-Y465 HydrophobicContact CG-CD2 3.94Å; R461-Y465 HydrophobicContact CG-CE2 3.43Å; R461-Y465 VanDerWaalsContact CG-CE2 3.43Å; R461-Y465 PolarHBondContact NE-OH 3.42Å; R461-Y465 PolarHBondContact NH2-OH 2.98Å; R461-Y465 PolarHBondContact O-N 3.31Å; R461-Y465 VanDerWaalsContact O-N 3.08Å; R461-P631 HydrophobicContact CB-CB 4.49Å; R461-P631 HydrophobicContact CB-CG 4.11Å; R461-P631 HydrophobicContact CG-CG 4.26Å; R461-F632 VanDerWaalsContact NH2-CE1 3.34Å
462	A	98.1	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-40.3	177.6	0	0	0	0	0	112.3	F457 D458 S466 M553 L554	F457-A462 HydrophobicContact CB-CB 4.39Å; D458-A462 WeakPolarHBondContact O-CB 3.36Å; D458-A462 PolarHBondContact O-N 3.29Å; A462-S466 WeakPolarHBondContact O-CB 3.43Å; A462-S466 PolarHBondContact O-N 3.4Å; A462-S466 PolarHBondContact O-OG 3.17Å; A462-M553 HydrophobicContact CB-CB 4.12Å; A462-L554 HydrophobicContact CB-CD2 3.58Å; A462-L554 HydrophobicContact CB-CG 4.12Å
463	T	98.4	Very high	95.9	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-44.6	178.3	-56	0	0	0	0	111.4	L459 N460 R461 S466 A467 F614 F615 I618	L459-T463 VanDerWaalsContact O-CB 3.27Å; L459-T463 WeakPolarHBondContact O-CB 3.35Å; L459-T463 PolarHBondContact O-N 3.39Å; L459-T463 PolarHBondContact O-OG1 3.13Å; N460-T463 PolarHBondContact O-N 2.56Å; R461-T463 PolarHBondContact O-N 3.42Å; T463-S466 PolarHBondContact O-N 2.87Å; T463-A467 WeakPolarHBondContact O-CB 3.25Å; T463-A467 PolarHBondContact O-N 3.12Å; T463-F614 HydrophobicContact CG2-CD1 4.22Å; T463-F614 HydrophobicContact CG2-CE1 3.89Å; T463-F614 HydrophobicContact CG2-CZ 4.31Å; T463-F614 VanDerWaalsContact OG1-CZ 3.29Å; T463-F614 WeakPolarHBondContact OG1-CZ 2.97Å; T463-F615 HydrophobicContact CG2-CD1 4.1Å; T463-I618 HydrophobicContact CG2-CD1 4.18Å; T463-I618 HydrophobicContact CG2-CG1 4.13Å
464	F	98.6	Very high	96.6	Very high	6 Å²	6	31 Å²	31	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-54.1	178.8	-179.7	-92.4	0	0	0	111.6	N460 R461 S466 A467 E468 H498 L623 V628 P630 P631	N460-F464 WeakPolarHBondContact O-CB 3.31Å; N460-F464 PolarHBondContact O-N 3.04Å; R461-F464 PolarHBondContact O-N 2.62Å; F464-S466 VanDerWaalsContact C-N 3.3Å; F464-S466 PolarHBondContact O-N 3.36Å; F464-A467 PolarHBondContact O-N 3.37Å; F464-A467 VanDerWaalsContact O-N 3.11Å; F464-E468 VanDerWaalsContact CE1-CD 3.45Å; F464-E468 HydrophobicContact CE1-CG 4.28Å; F464-E468 WeakPolarHBondContact CE1-OE1 3.02Å; F464-E468 WeakPolarHBondContact CE1-OE2 3.39Å; F464-E468 HydrophobicContact CZ-CG 4.43Å; F464-E468 WeakPolarHBondContact CZ-OE1 3.5Å; F464-E468 PolarHBondContact O-N 3.47Å; F464-H498 AromaticContact CZ-CE1 3.99Å; F464-H498 AromaticContact CZ-ND1 3.8Å; F464-L623 HydrophobicContact CD2-CD1 4.17Å; F464-L623 HydrophobicContact CE2-CD1 3.69Å; F464-L623 HydrophobicContact CZ-CD1 4.22Å; F464-V628 HydrophobicContact CD2-CG1 4.17Å; F464-V628 HydrophobicContact CE2-CB 4.08Å; F464-V628 HydrophobicContact CE2-CG1 3.74Å; F464-P630 HydrophobicContact CE1-CB 3.95Å; F464-P630 HydrophobicContact CE1-CG 4.19Å; F464-P630 HydrophobicContact CZ-CB 4.08Å; F464-P630 HydrophobicContact CZ-CG 3.98Å; F464-P631 HydrophobicContact CB-CG 3.77Å; F464-P631 HydrophobicContact CD1-CG 4.05Å; F464-P631 HydrophobicContact CG-CG 3.93Å
465	Y	98.7	Very high	97.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-40.6	178.6	-64.9	-25	0	0	0	112.3	L447 F457 R461 A467 E468 I469 L493 I499 M553 F632	L447-Y465 HydrophobicContact CD1-CD2 4.35Å; L447-Y465 HydrophobicContact CD2-CD2 3.85Å; L447-Y465 HydrophobicContact CD2-CE2 3.69Å; F457-Y465 HydrophobicContact CD2-CD2 4.16Å; F457-Y465 HydrophobicContact CD2-CE2 4.28Å; F457-Y465 HydrophobicContact CE2-CD2 4.12Å; F457-Y465 HydrophobicContact CE2-CE2 4.09Å; R461-Y465 HydrophobicContact CG-CD2 3.94Å; R461-Y465 HydrophobicContact CG-CE2 3.43Å; R461-Y465 VanDerWaalsContact CG-CE2 3.43Å; R461-Y465 PolarHBondContact NE-OH 3.42Å; R461-Y465 PolarHBondContact NH2-OH 2.98Å; R461-Y465 PolarHBondContact O-N 3.31Å; R461-Y465 VanDerWaalsContact O-N 3.08Å; Y465-A467 VanDerWaalsContact C-N 3.28Å; Y465-A467 PolarHBondContact O-N 3.25Å; Y465-E468 PolarHBondContact O-N 3.25Å; Y465-I469 VanDerWaalsContact O-CG1 3.23Å; Y465-I469 WeakPolarHBondContact O-CG1 3.31Å; Y465-I469 PolarHBondContact O-N 2.89Å; Y465-L493 HydrophobicContact CD1-CD2 4.44Å; Y465-L493 HydrophobicContact CE1-CD2 3.75Å; Y465-I499 HydrophobicContact CD1-CD1 3.61Å; Y465-I499 HydrophobicContact CD1-CG1 3.51Å; Y465-I499 HydrophobicContact CD2-CD1 4.31Å; Y465-I499 HydrophobicContact CE1-CD1 4.16Å; Y465-I499 HydrophobicContact CE1-CG1 4.26Å; Y465-I499 HydrophobicContact CG-CD1 3.72Å; Y465-I499 HydrophobicContact CG-CG1 3.94Å; Y465-M553 HydrophobicContact CD2-SD 4.22Å; Y465-F632 WeakPolarHBondContact OH-CD1 3.37Å
466	S	98.5	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-39.8	176.4	-63.4	0	0	0	0	112.4	A462 T463 F464 I469 V470 L550 M553	A462-S466 WeakPolarHBondContact O-CB 3.43Å; A462-S466 PolarHBondContact O-N 3.4Å; A462-S466 PolarHBondContact O-OG 3.17Å; T463-S466 PolarHBondContact O-N 2.87Å; F464-S466 VanDerWaalsContact C-N 3.3Å; F464-S466 PolarHBondContact O-N 3.36Å; S466-I469 PolarHBondContact O-N 2.98Å; S466-V470 WeakPolarHBondContact O-CB 3.38Å; S466-V470 WeakPolarHBondContact O-CG2 3.2Å; S466-V470 PolarHBondContact O-N 3.44Å; S466-L550 WeakPolarHBondContact OG-CD1 3.2Å; S466-M553 WeakPolarHBondContact OG-CE 3.32Å
467	A	98.5	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68	-37.8	179.2	0	0	0	0	0	112.4	T463 F464 Y465 V470 C471 F615 I618 W620 L623	T463-A467 WeakPolarHBondContact O-CB 3.25Å; T463-A467 PolarHBondContact O-N 3.12Å; F464-A467 PolarHBondContact O-N 3.37Å; F464-A467 VanDerWaalsContact O-N 3.11Å; Y465-A467 VanDerWaalsContact C-N 3.28Å; Y465-A467 PolarHBondContact O-N 3.25Å; A467-V470 PolarHBondContact O-N 3.19Å; A467-C471 PolarHBondContact O-N 3.35Å; A467-C471 VanDerWaalsContact O-N 3.14Å; A467-C471 PolarHBondContact O-SG 2.74Å; A467-F615 HydrophobicContact CB-CD1 4.1Å; A467-F615 HydrophobicContact CB-CE1 4.11Å; A467-I618 HydrophobicContact CB-CD1 4.39Å; A467-I618 HydrophobicContact CB-CG1 4.14Å; A467-I618 HydrophobicContact CB-CG2 3.99Å; A467-W620 HydrophobicContact CB-CH2 3.91Å; A467-W620 HydrophobicContact CB-CZ3 3.95Å; A467-W620 WeakPolarHBondContact O-CZ3 3.26Å; A467-L623 HydrophobicContact CB-CD2 3.42Å; A467-L623 VanDerWaalsContact CB-CD2 3.42Å
468	E	98.6	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-42.3	175.2	-64.6	-169	145.8	0	0	111.9	F421 F464 Y465 V470 C471 G472 H498 I499 L623	F421-E468 HydrophobicContact CD1-CB 3.83Å; F421-E468 HydrophobicContact CD1-CG 4.03Å; F421-E468 HydrophobicContact CE1-CB 3.9Å; F421-E468 VanDerWaalsContact CE1-CD 3.43Å; F421-E468 HydrophobicContact CE1-CG 3.59Å; F421-E468 VanDerWaalsContact CE1-OE1 3.23Å; F421-E468 WeakPolarHBondContact CE1-OE1 3.47Å; F421-E468 HydrophobicContact CG-CB 4.15Å; F421-E468 HydrophobicContact CZ-CB 4.25Å; F421-E468 HydrophobicContact CZ-CG 3.87Å; F464-E468 VanDerWaalsContact CE1-CD 3.45Å; F464-E468 HydrophobicContact CE1-CG 4.28Å; F464-E468 WeakPolarHBondContact CE1-OE1 3.02Å; F464-E468 WeakPolarHBondContact CE1-OE2 3.39Å; F464-E468 HydrophobicContact CZ-CG 4.43Å; F464-E468 WeakPolarHBondContact CZ-OE1 3.5Å; F464-E468 PolarHBondContact O-N 3.47Å; Y465-E468 PolarHBondContact O-N 3.25Å; E468-V470 VanDerWaalsContact C-N 3.33Å; E468-V470 PolarHBondContact O-N 2.91Å; E468-C471 WeakPolarHBondContact O-CB 3.22Å; E468-C471 PolarHBondContact O-N 2.76Å; E468-C471 VanDerWaalsContact O-N 3.16Å; E468-G472 PolarHBondContact O-N 3.21Å; E468-H498 IonicContact OE1-CE1 3.37Å; E468-H498 IonicContact OE1-CG 3.7Å; E468-H498 IonicContact OE1-ND1 3.12Å; E468-H498 PolarHBondContact OE1-ND1 3.33Å; E468-I499 HydrophobicContact CB-CB 3.94Å; E468-I499 HydrophobicContact CB-CG1 4.23Å; E468-I499 VanDerWaalsContact OE2-CB 3.3Å; E468-I499 WeakPolarHBondContact OE2-CB 3.5Å; E468-I499 VanDerWaalsContact OE2-CG1 3.3Å; E468-I499 WeakPolarHBondContact OE2-CG1 3.12Å; E468-I499 PolarHBondContact OE2-N 3.44Å; E468-L623 HydrophobicContact CG-CD1 3.88Å; E468-L623 HydrophobicContact CG-CD2 4.16Å; E468-L623 HydrophobicContact CG-CG 4.15Å
469	I	98.6	Very high	97.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-44	174.8	-65.8	164.6	0	0	0	110.6	Y465 S466 C471 G472 L473 L486 V491 I499 I501 F546 L549	Y465-I469 VanDerWaalsContact O-CG1 3.23Å; Y465-I469 WeakPolarHBondContact O-CG1 3.31Å; Y465-I469 PolarHBondContact O-N 2.89Å; S466-I469 PolarHBondContact O-N 2.98Å; I469-C471 VanDerWaalsContact C-N 3.3Å; I469-C471 PolarHBondContact O-N 2.83Å; I469-G472 PolarHBondContact O-N 2.64Å; I469-G472 VanDerWaalsContact O-N 3.15Å; I469-L473 HydrophobicContact CG2-CD1 3.93Å; I469-L473 HydrophobicContact CG2-CG 4.25Å; I469-L473 WeakPolarHBondContact O-CG 3.24Å; I469-L473 PolarHBondContact O-N 3.45Å; I469-L486 HydrophobicContact CG2-CD1 4.23Å; I469-L486 HydrophobicContact CG2-CD2 4.25Å; I469-V491 HydrophobicContact CD1-CG1 4.08Å; I469-V491 HydrophobicContact CD1-CG2 4.42Å; I469-V491 HydrophobicContact CG1-CG1 4.21Å; I469-I499 HydrophobicContact CG1-CG2 3.9Å; I469-I501 HydrophobicContact CG2-CD1 4.36Å; I469-F546 HydrophobicContact CB-CE2 4.36Å; I469-F546 HydrophobicContact CG2-CD2 3.85Å; I469-F546 HydrophobicContact CG2-CE2 4.16Å; I469-L549 HydrophobicContact CD1-CD1 4.42Å; I469-L549 HydrophobicContact CD1-CD2 3.77Å
470	V	98.2	Very high	97.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-43.4	175.8	167.8	0	0	0	0	111	S466 A467 E468 G472 L473 Q474 W543 F546 L609 F615 W620	S466-V470 WeakPolarHBondContact O-CB 3.38Å; S466-V470 WeakPolarHBondContact O-CG2 3.2Å; S466-V470 PolarHBondContact O-N 3.44Å; A467-V470 PolarHBondContact O-N 3.19Å; E468-V470 VanDerWaalsContact C-N 3.33Å; E468-V470 PolarHBondContact O-N 2.91Å; V470-G472 PolarHBondContact O-N 3.01Å; V470-L473 PolarHBondContact O-N 3.35Å; V470-Q474 HydrophobicContact CG1-CG 4.25Å; V470-Q474 WeakPolarHBondContact O-CB 3.47Å; V470-Q474 VanDerWaalsContact O-CG 3.25Å; V470-Q474 WeakPolarHBondContact O-CG 3.36Å; V470-Q474 PolarHBondContact O-N 2.98Å; V470-W543 HydrophobicContact CG1-CH2 4.33Å; V470-W543 HydrophobicContact CG2-CZ3 4.13Å; V470-F546 HydrophobicContact CG2-CE1 4.11Å; V470-F546 HydrophobicContact CG2-CE2 3.76Å; V470-F546 HydrophobicContact CG2-CZ 3.53Å; V470-L609 HydrophobicContact CG1-CB 4.47Å; V470-L609 HydrophobicContact CG2-CD2 3.83Å; V470-F615 HydrophobicContact CG2-CZ 4.39Å; V470-W620 HydrophobicContact CB-CH2 4.3Å; V470-W620 HydrophobicContact CB-CZ3 4.18Å; V470-W620 HydrophobicContact CG1-CH2 4.06Å; V470-W620 HydrophobicContact CG1-CZ3 3.93Å
471	C	97.3	Very high	97.2	Very high	19 Å²	19	15.1 Å²	15.1	13%	0.128	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-42.6	176.3	-65.6	0	0	0	0	112.2	F421 A467 E468 I469 F475	F421-C471 HydrophobicContact CD2-CB 3.55Å; F421-C471 HydrophobicContact CE2-CB 3.65Å; A467-C471 PolarHBondContact O-N 3.35Å; A467-C471 VanDerWaalsContact O-N 3.14Å; A467-C471 PolarHBondContact O-SG 2.74Å; E468-C471 WeakPolarHBondContact O-CB 3.22Å; E468-C471 PolarHBondContact O-N 2.76Å; E468-C471 VanDerWaalsContact O-N 3.16Å; I469-C471 VanDerWaalsContact C-N 3.3Å; I469-C471 PolarHBondContact O-N 2.83Å; C471-F475 PolarHBondContact O-N 2.98Å; C471-F475 VanDerWaalsContact O-N 3.15Å
472	G	97.2	Very high	97.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.3	-49.1	176.9	0	0	0	0	0	112.8	E468 I469 V470 F475 L476	E468-G472 PolarHBondContact O-N 3.21Å; I469-G472 PolarHBondContact O-N 2.64Å; I469-G472 VanDerWaalsContact O-N 3.15Å; V470-G472 PolarHBondContact O-N 3.01Å; G472-F475 WeakPolarHBondContact O-CB 3.22Å; G472-F475 PolarHBondContact O-N 3.1Å; G472-L476 PolarHBondContact O-N 3.48Å
473	L	97.5	Very high	97.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-43.6	179.1	-68.7	175.8	0	0	0	112.1	I469 V470 F475 L476 H477 Y483 L486 I501 D542 W543 F546	I469-L473 HydrophobicContact CG2-CD1 3.93Å; I469-L473 HydrophobicContact CG2-CG 4.25Å; I469-L473 WeakPolarHBondContact O-CG 3.24Å; I469-L473 PolarHBondContact O-N 3.45Å; V470-L473 PolarHBondContact O-N 3.35Å; L473-F475 VanDerWaalsContact C-N 3.27Å; L473-F475 PolarHBondContact O-N 2.94Å; L473-L476 PolarHBondContact O-N 3.48Å; L473-L476 VanDerWaalsContact O-N 3.14Å; L473-H477 PolarHBondContact O-CD2 3.26Å; L473-H477 VanDerWaalsContact O-CG 3.24Å; L473-H477 PolarHBondContact O-N 3.38Å; L473-Y483 HydrophobicContact CD2-CD1 4.39Å; L473-Y483 HydrophobicContact CD2-CG 4.47Å; L473-L486 HydrophobicContact CD1-CD2 3.99Å; L473-I501 HydrophobicContact CD2-CD1 4.47Å; L473-I501 HydrophobicContact CG-CD1 4.45Å; L473-D542 HydrophobicContact CD2-CB 4.37Å; L473-W543 HydrophobicContact CB-CH2 4.04Å; L473-W543 HydrophobicContact CB-CZ3 4.36Å; L473-W543 HydrophobicContact CD1-CE3 4.4Å; L473-W543 HydrophobicContact CD1-CH2 4.44Å; L473-W543 HydrophobicContact CD1-CZ3 3.94Å; L473-F546 HydrophobicContact CD1-CB 4.3Å
474	Q	95.7	Very high	96.9	Very high	55 Å²	55	15.4 Å²	15.4	26%	0.257	8%	0.08	S	C	.	.	H	α-helix	trans	-61.9	-36.6	177.7	-75.7	-180	-32	0	0	112.2	V470 S478 W543	V470-Q474 HydrophobicContact CG1-CG 4.25Å; V470-Q474 WeakPolarHBondContact O-CB 3.47Å; V470-Q474 VanDerWaalsContact O-CG 3.25Å; V470-Q474 WeakPolarHBondContact O-CG 3.36Å; V470-Q474 PolarHBondContact O-N 2.98Å; Q474-S478 VanDerWaalsContact O-CB 3.32Å; Q474-S478 WeakPolarHBondContact O-CB 3.16Å; Q474-S478 PolarHBondContact O-N 2.81Å; Q474-W543 HydrophobicContact CG-CH2 3.92Å; Q474-W543 HydrophobicContact CG-CZ2 4.07Å
475	F	96.3	Very high	96.7	Very high	32 Å²	32	15.7 Å²	15.7	14%	0.14	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-49.3	172.7	172.5	-91.5	0	0	0	111.1	L415 N419 L422 C471 G472 L473 H477 S478 K479	L415-F475 HydrophobicContact CG-CZ 4.47Å; N419-F475 HydrophobicContact CB-CD1 4.06Å; N419-F475 HydrophobicContact CB-CD2 4.32Å; N419-F475 HydrophobicContact CB-CE1 4.2Å; N419-F475 HydrophobicContact CB-CE2 4.45Å; N419-F475 HydrophobicContact CB-CG 4.11Å; N419-F475 HydrophobicContact CB-CZ 4.39Å; N419-F475 VanDerWaalsContact ND2-CB 3.28Å; N419-F475 WeakPolarHBondContact ND2-CB 3.41Å; N419-F475 WeakPolarHBondContact ND2-CG 3.37Å; L422-F475 HydrophobicContact CD1-CD1 3.6Å; L422-F475 HydrophobicContact CD1-CE1 3.89Å; C471-F475 PolarHBondContact O-N 2.98Å; C471-F475 VanDerWaalsContact O-N 3.15Å; G472-F475 WeakPolarHBondContact O-CB 3.22Å; G472-F475 PolarHBondContact O-N 3.1Å; L473-F475 VanDerWaalsContact C-N 3.27Å; L473-F475 PolarHBondContact O-N 2.94Å; F475-H477 PolarHBondContact O-N 3.16Å; F475-S478 PolarHBondContact O-N 3.18Å; F475-S478 PolarHBondContact O-OG 3.33Å; F475-K479 HydrophobicContact CE1-CG 4.48Å; F475-K479 HydrophobicContact CZ-CG 4.43Å; F475-K479 WeakPolarHBondContact O-CG 3.46Å; F475-K479 PolarHBondContact O-N 3.41Å
476	L	96.4	Very high	96.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-47.1	177.5	-66.3	173.7	0	0	0	111.7	V412 L422 G472 L473 S478 K479 G480 I481 Y483 F504	V412-L476 HydrophobicContact CG1-CD2 4.03Å; L422-L476 HydrophobicContact CD1-CD2 3.85Å; L422-L476 HydrophobicContact CD1-CG 4.14Å; L422-L476 HydrophobicContact CD2-CD1 4.41Å; G472-L476 PolarHBondContact O-N 3.48Å; L473-L476 PolarHBondContact O-N 3.48Å; L473-L476 VanDerWaalsContact O-N 3.14Å; L476-S478 VanDerWaalsContact C-N 3.31Å; L476-S478 PolarHBondContact O-N 3.14Å; L476-K479 CarbonylContact O-C 3.58Å; L476-K479 WeakPolarHBondContact O-CA 3.4Å; L476-K479 PolarHBondContact O-N 2.91Å; L476-G480 PolarHBondContact O-N 3.15Å; L476-I481 CarbonylContact C-O 3.54Å; L476-I481 HydrophobicContact CB-CB 4.27Å; L476-I481 HydrophobicContact CD2-CD1 4.46Å; L476-I481 HydrophobicContact CD2-CG2 4.37Å; L476-I481 WeakPolarHBondContact O-CB 3.38Å; L476-I481 PolarHBondContact O-N 3.04Å; L476-Y483 HydrophobicContact CD1-CD2 4.15Å; L476-Y483 HydrophobicContact CD1-CG 4.34Å; L476-F504 HydrophobicContact CD1-CE1 4.15Å; L476-F504 HydrophobicContact CD2-CE1 4.38Å
477	H	95.6	Very high	96.5	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.093	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-38.7	178.7	-63.8	175.4	0	0	0	111.8	L473 F475 K479 G480 I481 F539 D542 W543	L473-H477 PolarHBondContact O-CD2 3.26Å; L473-H477 VanDerWaalsContact O-CG 3.24Å; L473-H477 PolarHBondContact O-N 3.38Å; F475-H477 PolarHBondContact O-N 3.16Å; H477-K479 PolarHBondContact O-N 2.95Å; H477-G480 PolarHBondContact O-N 3.05Å; H477-I481 PolarHBondContact CD2-O 3.44Å; H477-F539 HydrophobicContact CB-CD1 3.92Å; H477-F539 HydrophobicContact CB-CE1 4.15Å; H477-F539 HydrophobicContact CB-CG 4.16Å; H477-F539 AromaticContact CD2-CD1 3.47Å; H477-F539 VanDerWaalsContact CD2-CD1 3.47Å; H477-F539 WeakPolarHBondContact CD2-CD1 3.37Å; H477-F539 AromaticContact CG-CD1 3.63Å; H477-F539 AromaticContact CG-CG 3.84Å; H477-D542 IonicContact CD2-OD2 3.66Å; H477-D542 IonicContact CE1-OD2 2.71Å; H477-D542 IonicContact NE2-OD2 3.68Å; H477-D542 PolarHBondContact NE2-OD2 3.27Å; H477-W543 AromaticContact CE1-CE2 3.76Å; H477-W543 AromaticContact CE1-CZ2 3.81Å; H477-W543 AromaticContact CE1-NE1 3.77Å; H477-W543 AromaticContact ND1-CE2 3.86Å; H477-W543 AromaticContact ND1-CZ2 3.65Å; H477-W543 AromaticContact ND1-NE1 3.79Å
478	S	94.4	Very high	96.2	Very high	79 Å²	79	17.6 Å²	17.6	55%	0.552	9%	0.09	S	C	*	.	H	α-helix	trans	-62.7	-23.7	175.8	80.4	0	0	0	0	113.3	Q474 F475 L476	Q474-S478 VanDerWaalsContact O-CB 3.32Å; Q474-S478 WeakPolarHBondContact O-CB 3.16Å; Q474-S478 PolarHBondContact O-N 2.81Å; F475-S478 PolarHBondContact O-N 3.18Å; F475-S478 PolarHBondContact O-OG 3.33Å; L476-S478 VanDerWaalsContact C-N 3.31Å; L476-S478 PolarHBondContact O-N 3.14Å
479	K	95.4	Very high	95.9	Very high	82 Å²	82	21.2 Å²	21.2	36%	0.357	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.5	175.5	-56.6	-66.9	-175.1	174	0	112.5	L415 F475 L476 H477 I481 F512	L415-K479 HydrophobicContact CD2-CB 3.82Å; L415-K479 HydrophobicContact CD2-CD 4.11Å; L415-K479 HydrophobicContact CD2-CG 3.75Å; F475-K479 HydrophobicContact CE1-CG 4.48Å; F475-K479 HydrophobicContact CZ-CG 4.43Å; F475-K479 WeakPolarHBondContact O-CG 3.46Å; F475-K479 PolarHBondContact O-N 3.41Å; L476-K479 CarbonylContact O-C 3.58Å; L476-K479 WeakPolarHBondContact O-CA 3.4Å; L476-K479 PolarHBondContact O-N 2.91Å; H477-K479 PolarHBondContact O-N 2.95Å; K479-I481 HydrophobicContact CB-CD1 3.93Å; K479-I481 HydrophobicContact CB-CG1 4.27Å; K479-F512 WeakPolarHBondContact O-CZ 3.39Å
480	G	95.5	Very high	95.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	30	179.4	0	0	0	0	0	113.7	L476 H477 E509 N510 V511 F512	L476-G480 PolarHBondContact O-N 3.15Å; H477-G480 PolarHBondContact O-N 3.05Å; G480-E509 CarbonylContact O-C 3.6Å; G480-N510 PolarHBondContact O-N 2.86Å; G480-N510 VanDerWaalsContact O-N 3.1Å; G480-V511 PolarHBondContact O-N 3.4Å; G480-F512 VanDerWaalsContact CA-CE1 3.47Å
481	I	96.4	Very high	95.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.113	C	C	.	.			trans	-113.6	124.5	-177.4	-56.5	166.8	0	0	0	108.4	V412 L415 L476 H477 K479 C507 K508 E509	V412-I481 HydrophobicContact CG1-CD1 4.44Å; V412-I481 HydrophobicContact CG1-CG2 4.47Å; V412-I481 HydrophobicContact CG2-CD1 4.16Å; V412-I481 HydrophobicContact CG2-CG2 4.12Å; L415-I481 HydrophobicContact CD2-CD1 3.78Å; L476-I481 CarbonylContact C-O 3.54Å; L476-I481 HydrophobicContact CB-CB 4.27Å; L476-I481 HydrophobicContact CD2-CD1 4.46Å; L476-I481 HydrophobicContact CD2-CG2 4.37Å; L476-I481 WeakPolarHBondContact O-CB 3.38Å; L476-I481 PolarHBondContact O-N 3.04Å; H477-I481 PolarHBondContact CD2-O 3.44Å; K479-I481 HydrophobicContact CB-CD1 3.93Å; K479-I481 HydrophobicContact CB-CG1 4.27Å; I481-C507 HydrophobicContact CG2-CB 3.95Å; I481-K508 VanDerWaalsContact CA-O 3.31Å; I481-K508 WeakPolarHBondContact CA-O 3.35Å; I481-E509 HydrophobicContact CG1-CG 4.22Å
482	I	96.3	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-94.1	136.4	167.6	-44.2	168.8	0	0	0	108	R484 C507 K508 V511 A517 Y537 F539 V541 D542	I482-R484 HydrophobicContact CB-CG 3.97Å; I482-R484 HydrophobicContact CG2-CG 3.49Å; I482-R484 VanDerWaalsContact CG2-CG 3.49Å; I482-C507 CarbonylContact O-C 3.51Å; I482-C507 VanDerWaalsContact O-CA 3.24Å; I482-C507 WeakPolarHBondContact O-CA 3.45Å; I482-K508 PolarHBondContact N-O 2.85Å; I482-K508 PolarHBondContact O-N 3.31Å; I482-V511 HydrophobicContact CD1-CB 4.1Å; I482-V511 HydrophobicContact CD1-CG1 3.72Å; I482-V511 HydrophobicContact CD1-CG2 3.68Å; I482-V511 HydrophobicContact CG1-CB 4Å; I482-V511 HydrophobicContact CG1-CG1 3.96Å; I482-V511 HydrophobicContact CG1-CG2 3.82Å; I482-A517 HydrophobicContact CD1-CB 4.21Å; I482-Y537 HydrophobicContact CD1-CD2 4.34Å; I482-Y537 HydrophobicContact CD1-CE2 4.41Å; I482-F539 HydrophobicContact CG1-CD1 3.83Å; I482-F539 HydrophobicContact CG1-CE1 4.11Å; I482-V541 HydrophobicContact CG2-CG2 3.67Å; I482-D542 VanDerWaalsContact CG2-OD2 3.28Å; I482-D542 WeakPolarHBondContact CG2-OD2 3.45Å
483	Y	97	Very high	95.8	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.115	C	C	.	.			trans	-82.4	-46	-175.9	-178.8	-115.3	0	0	0	113.6	L473 L476 D485 L486 N490 I501 A502 D503 F504 M506 D542	L473-Y483 HydrophobicContact CD2-CD1 4.39Å; L473-Y483 HydrophobicContact CD2-CG 4.47Å; L476-Y483 HydrophobicContact CD1-CD2 4.15Å; L476-Y483 HydrophobicContact CD1-CG 4.34Å; Y483-D485 VanDerWaalsContact C-N 3.25Å; Y483-D485 VanDerWaalsContact CE1-O 3.29Å; Y483-D485 WeakPolarHBondContact CE1-O 3.32Å; Y483-D485 PolarHBondContact O-N 2.81Å; Y483-D485 VanDerWaalsContact O-N 3.13Å; Y483-L486 HydrophobicContact CD1-CB 3.91Å; Y483-L486 HydrophobicContact CD1-CD1 4.3Å; Y483-L486 HydrophobicContact CE1-CB 3.97Å; Y483-L486 HydrophobicContact CE1-CD1 4.03Å; Y483-N490 WeakPolarHBondContact OH-CB 3.44Å; Y483-N490 PolarHBondContact OH-ND2 2.98Å; Y483-I501 HydrophobicContact CD2-CG2 4.42Å; Y483-I501 HydrophobicContact CE1-CG2 3.91Å; Y483-I501 HydrophobicContact CE2-CG2 3.75Å; Y483-I501 VanDerWaalsContact CZ-CG2 3.48Å; Y483-A502 PolarHBondContact OH-O 2.8Å; Y483-D503 VanDerWaalsContact CE2-O 3.31Å; Y483-D503 WeakPolarHBondContact CE2-O 3.22Å; Y483-D503 PolarHBondContact OH-O 3.02Å; Y483-F504 AromaticContact CD2-CD1 3.87Å; Y483-F504 HydrophobicContact CD2-CD1 3.87Å; Y483-F504 HydrophobicContact CD2-CE1 4.17Å; Y483-F504 AromaticContact CE2-CD1 3.77Å; Y483-F504 HydrophobicContact CE2-CD1 3.77Å; Y483-F504 HydrophobicContact CE2-CE1 4.01Å; Y483-F504 HydrophobicContact CE2-CG 4.38Å; Y483-M506 CarbonylContact O-C 3.52Å; Y483-D542 PolarHBondContact N-OD1 2.83Å; Y483-D542 PolarHBondContact N-OD2 2.96Å
484	R	95.1	Very high	95.7	Very high	24 Å²	24	23.1 Å²	23.1	9%	0.091	12%	0.118	C	C	.	.			trans	65.4	-2.4	171	-52	-171.3	-63.9	168.3	0.4	118.5	I482 M506 C507 C521 Y537 V541 D542	I482-R484 HydrophobicContact CB-CG 3.97Å; I482-R484 HydrophobicContact CG2-CG 3.49Å; I482-R484 VanDerWaalsContact CG2-CG 3.49Å; R484-M506 PolarHBondContact NE-O 3.5Å; R484-M506 PolarHBondContact NH2-O 2.81Å; R484-C507 PolarHBondContact NH2-O 3.36Å; R484-C521 PolarHBondContact NH1-SG 2.86Å; R484-Y537 HydrophobicContact CG-CE2 4.49Å; R484-Y537 PolarHBondContact NH1-OH 2.94Å; R484-V541 HydrophobicContact CG-CG2 4.36Å; R484-D542 PolarHBondContact N-OD1 3.17Å
485	D	94.4	Very high	95.7	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.07	13%	0.127	C	C	.	.			trans	-136	46	175.4	-162.2	40.1	0	0	0	112.3	Y483 K487 N490 M506 T523	Y483-D485 VanDerWaalsContact C-N 3.25Å; Y483-D485 VanDerWaalsContact CE1-O 3.29Å; Y483-D485 WeakPolarHBondContact CE1-O 3.32Å; Y483-D485 PolarHBondContact O-N 2.81Å; Y483-D485 VanDerWaalsContact O-N 3.13Å; D485-K487 PolarHBondContact O-N 3.28Å; D485-K487 IonicContact OD1-NZ 2.65Å; D485-K487 PolarHBondContact OD1-NZ 3.2Å; D485-K487 WeakPolarHBondContact OD2-CE 3.44Å; D485-K487 IonicContact OD2-NZ 3.77Å; D485-K487 PolarHBondContact OD2-NZ 3.02Å; D485-N490 PolarHBondContact O-ND2 3.29Å; D485-N490 PolarHBondContact OD2-ND2 3.29Å; D485-M506 HydrophobicContact CB-CB 3.81Å; D485-M506 HydrophobicContact CB-CG 3.9Å; D485-T523 PolarHBondContact OD1-OG1 3.13Å
486	L	97.4	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.			trans	-75	119.1	173.8	-168.3	70.9	0	0	0	110.7	I469 L473 Y483 V491 Y526 F546 L549	I469-L486 HydrophobicContact CG2-CD1 4.23Å; I469-L486 HydrophobicContact CG2-CD2 4.25Å; L473-L486 HydrophobicContact CD1-CD2 3.99Å; Y483-L486 HydrophobicContact CD1-CB 3.91Å; Y483-L486 HydrophobicContact CD1-CD1 4.3Å; Y483-L486 HydrophobicContact CE1-CB 3.97Å; Y483-L486 HydrophobicContact CE1-CD1 4.03Å; L486-V491 HydrophobicContact CD1-CG2 3.97Å; L486-Y526 WeakPolarHBondContact O-CD1 3.32Å; L486-Y526 VanDerWaalsContact O-CG 3.26Å; L486-F546 HydrophobicContact CD2-CB 3.87Å; L486-L549 HydrophobicContact CD1-CD1 4.03Å; L486-L549 HydrophobicContact CD2-CD1 4.21Å; L486-L549 HydrophobicContact CG-CD1 3.74Å
487	K	94	Very high	95.7	Very high	36 Å²	36	27.7 Å²	27.7	16%	0.157	14%	0.139	C	C	.	.			trans	-155.4	165.4	176.6	60.1	-177.7	165.8	-141.9	0	110.4	D485 D489 N490 V491 T523 Y526	D485-K487 PolarHBondContact O-N 3.28Å; D485-K487 IonicContact OD1-NZ 2.65Å; D485-K487 PolarHBondContact OD1-NZ 3.2Å; D485-K487 WeakPolarHBondContact OD2-CE 3.44Å; D485-K487 IonicContact OD2-NZ 3.77Å; D485-K487 PolarHBondContact OD2-NZ 3.02Å; K487-D489 VanDerWaalsContact C-N 3.25Å; K487-D489 HydrophobicContact CD-CB 4.19Å; K487-D489 HydrophobicContact CG-CB 4.22Å; K487-D489 PolarHBondContact O-N 2.83Å; K487-N490 VanDerWaalsContact CE-CG 3.44Å; K487-N490 VanDerWaalsContact CE-ND2 3.33Å; K487-N490 WeakPolarHBondContact CE-ND2 3.44Å; K487-N490 VanDerWaalsContact CE-OD1 3.3Å; K487-N490 WeakPolarHBondContact CE-OD1 3.19Å; K487-N490 HydrophobicContact CG-CB 4.03Å; K487-N490 PolarHBondContact O-N 3.28Å; K487-N490 VanDerWaalsContact O-N 3.15Å; K487-V491 WeakPolarHBondContact O-CG2 3.39Å; K487-T523 HydrophobicContact CD-CG2 4.34Å; K487-T523 WeakPolarHBondContact CD-OG1 3.47Å; K487-T523 PolarHBondContact NZ-OG1 3.05Å; K487-Y526 HydrophobicContact CB-CD1 4.49Å; K487-Y526 HydrophobicContact CB-CD2 3.93Å; K487-Y526 HydrophobicContact CB-CE1 4.12Å; K487-Y526 HydrophobicContact CB-CE2 3.47Å; K487-Y526 VanDerWaalsContact CB-CE2 3.47Å; K487-Y526 HydrophobicContact CB-CG 4.4Å
488	L	93.9	Very high	95.8	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-57.6	-36.9	-179.4	-69.7	168.8	0	0	0	113.1	L447 M448 I451 N490 V491 Y526 L549 E552 M553	L447-L488 HydrophobicContact CB-CB 4.36Å; L447-L488 HydrophobicContact CB-CD2 3.8Å; L447-L488 HydrophobicContact CD1-CD2 4.29Å; L447-L488 PolarHBondContact N-O 2.84Å; M448-L488 HydrophobicContact CB-CB 3.91Å; M448-L488 HydrophobicContact CE-CB 4.1Å; M448-L488 HydrophobicContact CE-CD1 4.01Å; M448-L488 HydrophobicContact SD-CD1 4.35Å; I451-L488 HydrophobicContact CD1-CD1 4.38Å; I451-L488 HydrophobicContact CG2-CD1 4.05Å; L488-N490 VanDerWaalsContact C-N 3.28Å; L488-N490 PolarHBondContact O-N 2.78Å; L488-V491 PolarHBondContact O-N 3.3Å; L488-Y526 PolarHBondContact N-OH 3.46Å; L488-L549 HydrophobicContact CD2-CD2 4.28Å; L488-L549 HydrophobicContact CD2-CG 4.06Å; L488-L549 HydrophobicContact CG-CG 4.49Å; L488-E552 HydrophobicContact CD1-CB 4.07Å; L488-E552 WeakPolarHBondContact CD1-OE2 3.42Å; L488-M553 HydrophobicContact CD2-CG 4.09Å
489	D	91.8	Very high	96	Very high	77 Å²	77	23.3 Å²	23.3	41%	0.412	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-65.9	-28.7	-179.9	-48.8	-98.8	0	0	0	113.3	K487 V491	K487-D489 VanDerWaalsContact C-N 3.25Å; K487-D489 HydrophobicContact CD-CB 4.19Å; K487-D489 HydrophobicContact CG-CB 4.22Å; K487-D489 PolarHBondContact O-N 2.83Å; D489-V491 VanDerWaalsContact C-N 3.34Å
490	N	95.6	Very high	96.1	Very high	14 Å²	14	19.6 Å²	19.6	8%	0.075	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-91.9	2.6	-178.1	-74.9	-1.8	0	0	0	113	Y483 D485 K487 L488 A502	Y483-N490 WeakPolarHBondContact OH-CB 3.44Å; Y483-N490 PolarHBondContact OH-ND2 2.98Å; D485-N490 PolarHBondContact O-ND2 3.29Å; D485-N490 PolarHBondContact OD2-ND2 3.29Å; K487-N490 VanDerWaalsContact CE-CG 3.44Å; K487-N490 VanDerWaalsContact CE-ND2 3.33Å; K487-N490 WeakPolarHBondContact CE-ND2 3.44Å; K487-N490 VanDerWaalsContact CE-OD1 3.3Å; K487-N490 WeakPolarHBondContact CE-OD1 3.19Å; K487-N490 HydrophobicContact CG-CB 4.03Å; K487-N490 PolarHBondContact O-N 3.28Å; K487-N490 VanDerWaalsContact O-N 3.15Å; L488-N490 VanDerWaalsContact C-N 3.28Å; L488-N490 PolarHBondContact O-N 2.78Å; N490-A502 PolarHBondContact O-N 3.41Å
491	V	97.8	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	106.4	178.6	-176.1	0	0	0	0	108.5	D446 L447 I469 L486 K487 L488 D489 I499 L549	D446-V491 CarbonylContact C-O 3.55Å; D446-V491 WeakPolarHBondContact CA-O 3.42Å; L447-V491 HydrophobicContact CD1-CB 3.94Å; L447-V491 HydrophobicContact CD1-CG1 3.56Å; L447-V491 HydrophobicContact CG-CB 4.09Å; L447-V491 HydrophobicContact CG-CG1 3.88Å; L447-V491 WeakPolarHBondContact CG-O 3.34Å; L447-V491 PolarHBondContact N-O 2.81Å; I469-V491 HydrophobicContact CD1-CG1 4.08Å; I469-V491 HydrophobicContact CD1-CG2 4.42Å; I469-V491 HydrophobicContact CG1-CG1 4.21Å; L486-V491 HydrophobicContact CD1-CG2 3.97Å; K487-V491 WeakPolarHBondContact O-CG2 3.39Å; L488-V491 PolarHBondContact O-N 3.3Å; D489-V491 VanDerWaalsContact C-N 3.34Å; V491-I499 HydrophobicContact CG1-CB 4.47Å; V491-I499 HydrophobicContact CG1-CD1 3.51Å; V491-I499 HydrophobicContact CG1-CG1 4.42Å; V491-I499 HydrophobicContact CG1-CG2 3.42Å; V491-I499 VanDerWaalsContact CG1-CG2 3.42Å; V491-L549 HydrophobicContact CG2-CD1 3.88Å
492	M	97	Very high	96.2	Very high	34 Å²	34	20 Å²	20	17%	0.167	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	157.3	-175.6	-58.1	-167.5	79.9	0	0	112.1	L442 D446 I499 K500 A502 F645	L442-M492 HydrophobicContact CB-CB 4.29Å; L442-M492 HydrophobicContact CB-CE 4.11Å; L442-M492 HydrophobicContact CB-SD 4.19Å; L442-M492 HydrophobicContact CD1-CB 3.84Å; L442-M492 HydrophobicContact CD1-CG 4.42Å; L442-M492 HydrophobicContact CD1-SD 3.96Å; D446-M492 HydrophobicContact CB-CG 4.47Å; M492-I499 CarbonylContact O-C 3.55Å; M492-I499 WeakPolarHBondContact O-CA 3.35Å; M492-K500 PolarHBondContact N-O 2.63Å; M492-K500 PolarHBondContact O-N 3Å; M492-A502 HydrophobicContact CG-CB 4.22Å; M492-A502 HydrophobicContact SD-CB 4.12Å; M492-F645 HydrophobicContact CE-CE1 4.06Å; M492-F645 HydrophobicContact CE-CZ 4.34Å
493	L	97.6	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.8	168.1	-61.6	179.4	0	0	0	110.6	G444 G445 L447 Y465 H498 I499 F632	G444-L493 WeakPolarHBondContact CA-O 3.27Å; G444-L493 PolarHBondContact N-O 3.29Å; G445-L493 PolarHBondContact O-N 2.93Å; L447-L493 HydrophobicContact CD2-CD1 4.35Å; L447-L493 HydrophobicContact CD2-CD2 4.09Å; L447-L493 HydrophobicContact CD2-CG 4.16Å; Y465-L493 HydrophobicContact CD1-CD2 4.44Å; Y465-L493 HydrophobicContact CE1-CD2 3.75Å; L493-H498 WeakPolarHBondContact CA-O 3.29Å; L493-I499 HydrophobicContact CD2-CD1 3.55Å; L493-I499 HydrophobicContact CD2-CG1 4.26Å; L493-F632 HydrophobicContact CD1-CD1 3.99Å; L493-F632 HydrophobicContact CD1-CE1 3.94Å
494	D	96.1	Very high	95.7	Very high	10 Å²	10	23 Å²	23	5%	0.053	11%	0.114	C	C	.	.			trans	-82.1	177.3	162.3	69.9	21.7	0	0	0	111.9	L442 E496 G497 H498 R626 P634	L442-D494 HydrophobicContact CD2-CB 4.1Å; D494-E496 PolarHBondContact O-N 3.15Å; D494-E496 WeakPolarHBondContact OD1-CA 3.37Å; D494-E496 WeakPolarHBondContact OD1-CB 3.39Å; D494-E496 PolarHBondContact OD1-N 3.28Å; D494-G497 PolarHBondContact O-N 3.3Å; D494-G497 VanDerWaalsContact O-N 3.09Å; D494-G497 PolarHBondContact OD1-N 3.37Å; D494-H498 PolarHBondContact N-O 3.21Å; D494-H498 PolarHBondContact OD1-N 2.81Å; D494-R626 IonicContact OD1-NH2 3.77Å; D494-R626 IonicContact OD2-CZ 3.6Å; D494-R626 IonicContact OD2-NH1 3.79Å; D494-R626 PolarHBondContact OD2-NH1 3.23Å; D494-R626 IonicContact OD2-NH2 3.57Å; D494-R626 PolarHBondContact OD2-NH2 3.49Å; D494-P634 WeakPolarHBondContact O-CG 3.43Å
495	H	95.3	Very high	95.3	Very high	100 Å²	100	22.5 Å²	22.5	46%	0.463	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	-179.4	70.5	-73.9	0	0	0	114.7	N443 V636	N443-H495 WeakPolarHBondContact OD1-CB 3.47Å; H495-V636 HydrophobicContact CB-CG1 4.48Å; H495-V636 HydrophobicContact CB-CG2 4.3Å
496	E	96.1	Very high	95	Very high	84 Å²	84	25 Å²	25	39%	0.393	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-21.4	176.5	-61.5	-170.7	116.8	0	0	111.5	D494 R626 P630	D494-E496 PolarHBondContact O-N 3.15Å; D494-E496 WeakPolarHBondContact OD1-CA 3.37Å; D494-E496 WeakPolarHBondContact OD1-CB 3.39Å; D494-E496 PolarHBondContact OD1-N 3.28Å; E496-R626 IonicContact OE2-CZ 2.76Å; E496-R626 IonicContact OE2-NH2 2.89Å; E496-R626 PolarHBondContact OE2-NH2 3.11Å; E496-P630 WeakPolarHBondContact O-CG 3.27Å
497	G	97.1	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	102.7	12.8	-180	0	0	0	0	0	114	D494 F632	D494-G497 PolarHBondContact O-N 3.3Å; D494-G497 VanDerWaalsContact O-N 3.09Å; D494-G497 PolarHBondContact OD1-N 3.37Å; G497-F632 WeakPolarHBondContact CA-O 3.33Å
498	H	98.3	Very high	94.7	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.037	14%	0.141	C	C	.	.			trans	-83.9	151.5	172.7	-68	-82	0	0	0	111.4	F464 E468 L493 D494 R626 V628 P630	F464-H498 AromaticContact CZ-CE1 3.99Å; F464-H498 AromaticContact CZ-ND1 3.8Å; E468-H498 IonicContact OE1-CE1 3.37Å; E468-H498 IonicContact OE1-CG 3.7Å; E468-H498 IonicContact OE1-ND1 3.12Å; E468-H498 PolarHBondContact OE1-ND1 3.33Å; L493-H498 WeakPolarHBondContact CA-O 3.29Å; D494-H498 PolarHBondContact N-O 3.21Å; D494-H498 PolarHBondContact OD1-N 2.81Å; H498-R626 PolarHBondContact CD2-NH2 3.25Å; H498-V628 PolarHBondContact CE1-O 2.89Å; H498-P630 WeakPolarHBondContact NE2-CG 3.25Å
499	I	98.1	Very high	94.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.3	-179	-65.7	-73.9	0	0	0	111.9	F421 L447 Y465 E468 I469 V491 M492 L493	F421-I499 WeakPolarHBondContact CA-O 3.43Å; L447-I499 HydrophobicContact CD1-CD1 3.94Å; L447-I499 HydrophobicContact CD2-CD1 3.94Å; L447-I499 HydrophobicContact CG-CD1 4.13Å; Y465-I499 HydrophobicContact CD1-CD1 3.61Å; Y465-I499 HydrophobicContact CD1-CG1 3.51Å; Y465-I499 HydrophobicContact CD2-CD1 4.31Å; Y465-I499 HydrophobicContact CE1-CD1 4.16Å; Y465-I499 HydrophobicContact CE1-CG1 4.26Å; Y465-I499 HydrophobicContact CG-CD1 3.72Å; Y465-I499 HydrophobicContact CG-CG1 3.94Å; E468-I499 HydrophobicContact CB-CB 3.94Å; E468-I499 HydrophobicContact CB-CG1 4.23Å; E468-I499 VanDerWaalsContact OE2-CB 3.3Å; E468-I499 WeakPolarHBondContact OE2-CB 3.5Å; E468-I499 VanDerWaalsContact OE2-CG1 3.3Å; E468-I499 WeakPolarHBondContact OE2-CG1 3.12Å; E468-I499 PolarHBondContact OE2-N 3.44Å; I469-I499 HydrophobicContact CG1-CG2 3.9Å; V491-I499 HydrophobicContact CG1-CB 4.47Å; V491-I499 HydrophobicContact CG1-CD1 3.51Å; V491-I499 HydrophobicContact CG1-CG1 4.42Å; V491-I499 HydrophobicContact CG1-CG2 3.42Å; V491-I499 VanDerWaalsContact CG1-CG2 3.42Å; M492-I499 CarbonylContact O-C 3.55Å; M492-I499 WeakPolarHBondContact O-CA 3.35Å; L493-I499 HydrophobicContact CD2-CD1 3.55Å; L493-I499 HydrophobicContact CD2-CG1 4.26Å
500	K	98.1	Very high	94.6	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	115.2	169.6	-73.8	-78.8	-169.9	161.7	0	109.5	P420 F421 L422 H424 E440 L442 M492	P420-K500 WeakPolarHBondContact O-CD 3.4Å; P420-K500 WeakPolarHBondContact O-CE 3.43Å; P420-K500 PolarHBondContact O-NZ 3.17Å; F421-K500 CarbonylContact O-C 3.58Å; F421-K500 WeakPolarHBondContact O-CA 3.24Å; L422-K500 VanDerWaalsContact O-CD 3.27Å; L422-K500 WeakPolarHBondContact O-CD 3.49Å; L422-K500 PolarHBondContact O-NZ 2.88Å; H424-K500 PolarHBondContact CE1-NZ 3.06Å; H424-K500 VanDerWaalsContact CE1-NZ 3.29Å; H424-K500 PolarHBondContact ND1-NZ 3.25Å; H424-K500 PolarHBondContact NE2-NZ 2.9Å; E440-K500 VanDerWaalsContact OE1-CE 3.31Å; E440-K500 WeakPolarHBondContact OE1-CE 3.47Å; E440-K500 IonicContact OE1-NZ 2.7Å; E440-K500 PolarHBondContact OE1-NZ 3.18Å; E440-K500 IonicContact OE2-NZ 3.46Å; E440-K500 PolarHBondContact OE2-NZ 3.45Å; L442-K500 HydrophobicContact CD1-CB 3.42Å; L442-K500 VanDerWaalsContact CD1-CB 3.42Å; L442-K500 HydrophobicContact CD1-CG 3.88Å; L442-K500 HydrophobicContact CD2-CB 4.31Å; L442-K500 HydrophobicContact CD2-CD 4.5Å; L442-K500 HydrophobicContact CD2-CG 3.81Å; M492-K500 PolarHBondContact N-O 2.63Å; M492-K500 PolarHBondContact O-N 3Å
501	I	98.2	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.7	171.7	-55.4	174.4	0	0	0	108.4	F421 L422 T423 I469 L473 Y483 F504	F421-I501 PolarHBondContact O-N 2.66Å; L422-I501 HydrophobicContact CD2-CB 3.83Å; L422-I501 HydrophobicContact CD2-CD1 3.99Å; L422-I501 HydrophobicContact CD2-CG1 4.26Å; T423-I501 PolarHBondContact N-O 3.22Å; T423-I501 PolarHBondContact OG1-O 2.5Å; I469-I501 HydrophobicContact CG2-CD1 4.36Å; L473-I501 HydrophobicContact CD2-CD1 4.47Å; L473-I501 HydrophobicContact CG-CD1 4.45Å; Y483-I501 HydrophobicContact CD2-CG2 4.42Å; Y483-I501 HydrophobicContact CE1-CG2 3.91Å; Y483-I501 HydrophobicContact CE2-CG2 3.75Å; Y483-I501 VanDerWaalsContact CZ-CG2 3.48Å; I501-F504 HydrophobicContact CG2-CE1 4.47Å; I501-F504 HydrophobicContact CG2-CZ 4.46Å; I501-F504 WeakPolarHBondContact O-CE2 3.37Å; I501-F504 VanDerWaalsContact O-CZ 3.24Å; I501-F504 WeakPolarHBondContact O-CZ 3.27Å
502	A	94.4	Very high	93.8	Very high	14 Å²	14	35.8 Å²	35.8	12%	0.116	18%	0.178	C	C	.	.			trans	-112.5	178.2	-178.7	0	0	0	0	0	111.6	T423 Y483 N490 M492	T423-A502 WeakPolarHBondContact OG1-CA 3.45Å; T423-A502 WeakPolarHBondContact OG1-CB 3.35Å; Y483-A502 PolarHBondContact OH-O 2.8Å; N490-A502 PolarHBondContact O-N 3.41Å; M492-A502 HydrophobicContact CG-CB 4.22Å; M492-A502 HydrophobicContact SD-CB 4.12Å
503	D	90.8	Very high	93.1	Very high	63 Å²	63	38 Å²	38	34%	0.337	21%	0.209	S	C	.	.			trans	50.8	91.2	175.8	-155.2	-4.2	0	0	0	116	K390 Y483 G505	K390-D503 IonicContact NZ-OD1 3.17Å; K390-D503 PolarHBondContact NZ-OD1 2.82Å; K390-D503 IonicContact NZ-OD2 3.23Å; Y483-D503 VanDerWaalsContact CE2-O 3.31Å; Y483-D503 WeakPolarHBondContact CE2-O 3.22Å; Y483-D503 PolarHBondContact OH-O 3.02Å; D503-G505 PolarHBondContact OD1-N 2.96Å
504	F	92.6	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.			trans	-100.2	14.8	-177.6	-58.8	-92.1	0	0	0	112.9	E409 V412 L413 L422 L476 Y483 I501 M506 C507	E409-F504 HydrophobicContact CG-CB 4.12Å; V412-F504 HydrophobicContact CB-CB 4.24Å; V412-F504 HydrophobicContact CG1-CB 3.98Å; V412-F504 HydrophobicContact CG1-CD1 3.54Å; V412-F504 HydrophobicContact CG1-CE1 4.25Å; V412-F504 HydrophobicContact CG1-CG 3.87Å; L413-F504 HydrophobicContact CD2-CD2 3.38Å; L413-F504 HydrophobicContact CD2-CE2 3.48Å; L413-F504 VanDerWaalsContact CD2-CE2 3.48Å; L413-F504 HydrophobicContact CD2-CG 4.48Å; L413-F504 HydrophobicContact CG-CD2 3.7Å; L413-F504 HydrophobicContact CG-CE2 4.29Å; L413-F504 HydrophobicContact CG-CG 4.44Å; L422-F504 HydrophobicContact CB-CZ 4.09Å; L422-F504 HydrophobicContact CD2-CE1 4.15Å; L422-F504 HydrophobicContact CD2-CZ 4.05Å; L422-F504 HydrophobicContact CG-CZ 4.46Å; L476-F504 HydrophobicContact CD1-CE1 4.15Å; L476-F504 HydrophobicContact CD2-CE1 4.38Å; Y483-F504 AromaticContact CD2-CD1 3.87Å; Y483-F504 HydrophobicContact CD2-CD1 3.87Å; Y483-F504 HydrophobicContact CD2-CE1 4.17Å; Y483-F504 AromaticContact CE2-CD1 3.77Å; Y483-F504 HydrophobicContact CE2-CD1 3.77Å; Y483-F504 HydrophobicContact CE2-CE1 4.01Å; Y483-F504 HydrophobicContact CE2-CG 4.38Å; I501-F504 HydrophobicContact CG2-CE1 4.47Å; I501-F504 HydrophobicContact CG2-CZ 4.46Å; I501-F504 WeakPolarHBondContact O-CE2 3.37Å; I501-F504 VanDerWaalsContact O-CZ 3.24Å; I501-F504 WeakPolarHBondContact O-CZ 3.27Å; F504-M506 PolarHBondContact O-N 2.94Å; F504-M506 VanDerWaalsContact O-N 3.16Å; F504-C507 WeakPolarHBondContact O-CB 3.34Å; F504-C507 PolarHBondContact O-N 2.99Å; F504-C507 VanDerWaalsContact O-N 3.1Å; F504-C507 PolarHBondContact O-SG 3.15Å
505	G	87.4	Confident	91.8	Very high	14 Å²	14	50.7 Å²	50.7	14%	0.144	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	-177.9	0	0	0	0	0	114.4	D503	D503-G505 PolarHBondContact OD1-N 2.96Å
506	M	87.8	Confident	91.5	Very high	64 Å²	64	52.4 Å²	52.4	32%	0.315	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4	-178.9	-63.6	-64.2	-101.6	0	0	113.5	Y483 R484 D485 F504 C521	Y483-M506 CarbonylContact O-C 3.52Å; R484-M506 PolarHBondContact NE-O 3.5Å; R484-M506 PolarHBondContact NH2-O 2.81Å; D485-M506 HydrophobicContact CB-CB 3.81Å; D485-M506 HydrophobicContact CB-CG 3.9Å; F504-M506 PolarHBondContact O-N 2.94Å; F504-M506 VanDerWaalsContact O-N 3.16Å; M506-C521 HydrophobicContact CE-CB 3.64Å
507	C	93.2	Very high	91	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	26%	0.255	C	S	.	.			trans	-63.2	154.2	-177.8	-77.1	0	0	0	0	113.1	V408 V412 I481 I482 R484 F504	V408-C507 HydrophobicContact CG1-CB 3.94Å; V412-C507 HydrophobicContact CG2-CB 3.94Å; I481-C507 HydrophobicContact CG2-CB 3.95Å; I482-C507 CarbonylContact O-C 3.51Å; I482-C507 VanDerWaalsContact O-CA 3.24Å; I482-C507 WeakPolarHBondContact O-CA 3.45Å; R484-C507 PolarHBondContact NH2-O 3.36Å; F504-C507 WeakPolarHBondContact O-CB 3.34Å; F504-C507 PolarHBondContact O-N 2.99Å; F504-C507 VanDerWaalsContact O-N 3.1Å; F504-C507 PolarHBondContact O-SG 3.15Å
508	K	91.6	Very high	90.3	Very high	89 Å²	89	53 Å²	53	39%	0.387	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-127.1	116.3	168.6	-173.8	67.3	176.4	-179.6	0	110.2	I481 I482 V511 A517	I481-K508 VanDerWaalsContact CA-O 3.31Å; I481-K508 WeakPolarHBondContact CA-O 3.35Å; I482-K508 PolarHBondContact N-O 2.85Å; I482-K508 PolarHBondContact O-N 3.31Å; K508-V511 HydrophobicContact CB-CG2 4.31Å; K508-V511 HydrophobicContact CG-CG2 3.79Å; K508-A517 HydrophobicContact CG-CB 4.26Å
509	E	93.2	Very high	89.4	Confident	36 Å²	36	56.2 Å²	56.2	17%	0.168	30%	0.303	C	S	.	.			trans	-83.3	168.5	175.8	-61	173.7	108.5	0	0	112.3	V408 R411 V412 G480 I481 V511	V408-E509 HydrophobicContact CG1-CG 4.05Å; R411-E509 IonicContact CZ-OE2 3.39Å; R411-E509 VanDerWaalsContact CZ-OE2 3.23Å; R411-E509 IonicContact NE-OE1 2.96Å; R411-E509 PolarHBondContact NE-OE1 2.99Å; R411-E509 IonicContact NE-OE2 3.21Å; R411-E509 PolarHBondContact NE-OE2 3.43Å; R411-E509 IonicContact NH2-OE2 2.75Å; R411-E509 PolarHBondContact NH2-OE2 2.97Å; V412-E509 HydrophobicContact CG2-CG 4.14Å; G480-E509 CarbonylContact O-C 3.6Å; I481-E509 HydrophobicContact CG1-CG 4.22Å; E509-V511 VanDerWaalsContact C-N 3.29Å; E509-V511 PolarHBondContact O-N 3.39Å
510	N	91.1	Very high	88.5	Confident	109 Å²	109	61.8 Å²	61.8	58%	0.583	33%	0.327	S	S	*	.			trans	63.3	27.3	174	-57	-50.7	0	0	0	114.8	G480 F512 N515	G480-N510 PolarHBondContact O-N 2.86Å; G480-N510 VanDerWaalsContact O-N 3.1Å; N510-F512 PolarHBondContact O-N 3.16Å; N510-F512 VanDerWaalsContact O-N 3.17Å; N510-N515 PolarHBondContact O-ND2 3.29Å
511	V	90.4	Very high	87.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	33%	0.332	C	S	.	.			trans	-87.7	82.5	177.3	-176.3	0	0	0	0	108.8	G480 I482 K508 E509 N515 S538 F539	G480-V511 PolarHBondContact O-N 3.4Å; I482-V511 HydrophobicContact CD1-CB 4.1Å; I482-V511 HydrophobicContact CD1-CG1 3.72Å; I482-V511 HydrophobicContact CD1-CG2 3.68Å; I482-V511 HydrophobicContact CG1-CB 4Å; I482-V511 HydrophobicContact CG1-CG1 3.96Å; I482-V511 HydrophobicContact CG1-CG2 3.82Å; K508-V511 HydrophobicContact CB-CG2 4.31Å; K508-V511 HydrophobicContact CG-CG2 3.79Å; E509-V511 VanDerWaalsContact C-N 3.29Å; E509-V511 PolarHBondContact O-N 3.39Å; V511-N515 VanDerWaalsContact CG1-O 3.32Å; V511-N515 WeakPolarHBondContact CG1-O 3.32Å; V511-S538 WeakPolarHBondContact CG1-OG 3.46Å; V511-F539 HydrophobicContact CB-CE1 4.3Å; V511-F539 HydrophobicContact CB-CZ 4.49Å; V511-F539 HydrophobicContact CG1-CE1 4.33Å; V511-F539 HydrophobicContact CG1-CZ 4.41Å; V511-F539 WeakPolarHBondContact O-CZ 3.39Å
512	F	86.3	Confident	86.5	Confident	117 Å²	117	63.5 Å²	63.5	51%	0.513	34%	0.343	S	S	.	.			trans	-128	147.3	174.4	-65.5	-75.5	0	0	0	110.8	K479 G480 N510 E514 N515	K479-F512 WeakPolarHBondContact O-CZ 3.39Å; G480-F512 VanDerWaalsContact CA-CE1 3.47Å; N510-F512 PolarHBondContact O-N 3.16Å; N510-F512 VanDerWaalsContact O-N 3.17Å; F512-E514 PolarHBondContact O-N 2.88Å; F512-N515 WeakPolarHBondContact O-CB 3.37Å; F512-N515 PolarHBondContact O-N 2.83Å
513	G	81.1	Confident	85.9	Confident	79 Å²	79	64.4 Å²	64.4	81%	0.814	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-117.4	176.1	0	0	0	0	0	112.5
514	E	80	Confident	85.8	Confident	188 Å²	188	63.3 Å²	63.3	88%	0.879	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-11.6	-180	-61.3	-167.3	163.9	0	0	113.9	F512 R516	F512-E514 PolarHBondContact O-N 2.88Å; E514-R516 PolarHBondContact O-N 3.16Å
515	N	86.4	Confident	85.6	Confident	89 Å²	89	65.9 Å²	65.9	48%	0.476	36%	0.358	S	S	.	.			trans	-74.6	115.8	-179.8	-163.6	16.8	0	0	0	110.2	N510 V511 F512	N510-N515 PolarHBondContact O-ND2 3.29Å; V511-N515 VanDerWaalsContact CG1-O 3.32Å; V511-N515 WeakPolarHBondContact CG1-O 3.32Å; F512-N515 WeakPolarHBondContact O-CB 3.37Å; F512-N515 PolarHBondContact O-N 2.83Å
516	R	89.7	Confident	86	Confident	137 Å²	137	65.8 Å²	65.8	52%	0.517	35%	0.353	S	S	.	.			trans	-129.1	147.9	-174.2	-68.1	-172.4	-174	-164.6	3.1	110.9	E514 K536 Y537	E514-R516 PolarHBondContact O-N 3.16Å; R516-K536 HydrophobicContact CB-CB 3.82Å; R516-K536 HydrophobicContact CB-CD 4.46Å; R516-Y537 WeakPolarHBondContact CA-O 3.48Å; R516-Y537 WeakPolarHBondContact CB-O 3.33Å
517	A	86.2	Confident	86.2	Confident	2 Å²	2	63 Å²	63	2%	0.017	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-78.2	154	174.7	0	0	0	0	0	111.2	I482 K508 K536 Y537	I482-A517 HydrophobicContact CD1-CB 4.21Å; K508-A517 HydrophobicContact CG-CB 4.26Å; A517-K536 WeakPolarHBondContact O-CA 3.19Å; A517-Y537 HydrophobicContact CB-CD2 3.92Å; A517-Y537 HydrophobicContact CB-CE1 4.19Å; A517-Y537 HydrophobicContact CB-CE2 3.4Å; A517-Y537 VanDerWaalsContact CB-CE2 3.4Å; A517-Y537 HydrophobicContact CB-CG 4.49Å; A517-Y537 PolarHBondContact N-O 3.49Å; A517-Y537 PolarHBondContact O-N 3.4Å
518	T	82.2	Confident	86.3	Confident	95 Å²	95	62.8 Å²	62.8	58%	0.583	34%	0.338	S	S	*	.			trans	-135.1	-6	179.8	61	0	0	0	0	113.7	K536	T518-K536 HydrophobicContact CG2-CB 4.41Å; T518-K536 HydrophobicContact CG2-CD 4.15Å; T518-K536 HydrophobicContact CG2-CG 3.81Å
519	T	78.9	Confident	86.5	Confident	74 Å²	74	58.7 Å²	58.7	45%	0.454	32%	0.32	S	S	.	.			trans	-69.7	133.9	-177.2	-46.6	0	0	0	0	109.9	C521 Y537	T519-C521 HydrophobicContact CG2-CB 4.44Å; T519-C521 PolarHBondContact O-N 2.88Å; T519-Y537 VanDerWaalsContact O-CE1 3.32Å; T519-Y537 WeakPolarHBondContact O-CE1 3.39Å; T519-Y537 PolarHBondContact O-OH 3.25Å
520	F	79.3	Confident	86.6	Confident	117 Å²	117	57.1 Å²	57.1	51%	0.513	31%	0.313	S	S	.	.			trans	-79.8	113	169.3	-173.6	-81.8	0	0	0	108.5	I527 I531 L532 F569	F520-I527 HydrophobicContact CE1-CD1 4.12Å; F520-I527 HydrophobicContact CZ-CD1 4.05Å; F520-I531 HydrophobicContact CD2-CG2 3.79Å; F520-I531 HydrophobicContact CE2-CG2 4.22Å; F520-I531 HydrophobicContact CG-CG2 4.27Å; F520-L532 HydrophobicContact CE2-CD2 3.79Å; F520-L532 HydrophobicContact CZ-CD2 3.93Å; F520-F569 HydrophobicContact CZ-CE2 4.26Å; F520-F569 HydrophobicContact CZ-CZ 4.22Å
521	C	78.6	Confident	86.6	Confident	16 Å²	16	52.3 Å²	52.3	11%	0.108	29%	0.287	C	S	.	.			trans	-159.2	161.9	-175.7	64.5	0	0	0	0	111	R484 M506 T519	R484-C521 PolarHBondContact NH1-SG 2.86Å; M506-C521 HydrophobicContact CE-CB 3.64Å; T519-C521 HydrophobicContact CG2-CB 4.44Å; T519-C521 PolarHBondContact O-N 2.88Å
522	G	75.7	Confident	86.4	Confident	23 Å²	23	53.9 Å²	53.9	24%	0.237	30%	0.295	C	S	.	.	S	Bend	trans	120.4	168.3	179.2	0	0	0	0	0	111.9
523	T	82.1	Confident	86.2	Confident	33 Å²	33	52 Å²	52	20%	0.202	29%	0.29	C	S	.	.			trans	-77.9	128.2	176.3	-60.4	0	0	0	0	109.7	D485 K487 D525 Y526 I527	D485-T523 PolarHBondContact OD1-OG1 3.13Å; K487-T523 HydrophobicContact CD-CG2 4.34Å; K487-T523 WeakPolarHBondContact CD-OG1 3.47Å; K487-T523 PolarHBondContact NZ-OG1 3.05Å; T523-D525 PolarHBondContact O-N 3.3Å; T523-D525 VanDerWaalsContact O-N 3.13Å; T523-Y526 HydrophobicContact CG2-CD2 3.99Å; T523-Y526 HydrophobicContact CG2-CE2 4.43Å; T523-Y526 PolarHBondContact O-N 3.1Å; T523-I527 WeakPolarHBondContact O-CG1 3.34Å; T523-I527 PolarHBondContact O-N 2.88Å
524	P	87.1	Confident	86.3	Confident	41 Å²	41	51.5 Å²	51.5	27%	0.266	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-43.6	-49.9	-168.1	-34.3	36.7	0	0	0	116.3	Y526 I527 L568 F569	P524-Y526 PolarHBondContact O-N 2.57Å; P524-I527 PolarHBondContact O-N 2.83Å; P524-L568 HydrophobicContact CB-CD2 3.85Å; P524-F569 HydrophobicContact CB-CE1 4.04Å; P524-F569 HydrophobicContact CB-CZ 4.46Å
525	D	88.7	Confident	86.6	Confident	54 Å²	54	46.8 Å²	46.8	29%	0.289	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.7	-179.7	-65	-85.2	0	0	0	114.5	T523 S558	T523-D525 PolarHBondContact O-N 3.3Å; T523-D525 VanDerWaalsContact O-N 3.13Å; D525-S558 PolarHBondContact OD1-OG 3.43Å
526	Y	95.6	Very high	86.8	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.047	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-101.4	-3.3	-175.4	-63.3	-95.8	0	0	0	113.1	L486 K487 L488 T523 P524 A528 S545 V548 L549 E552	L486-Y526 WeakPolarHBondContact O-CD1 3.32Å; L486-Y526 VanDerWaalsContact O-CG 3.26Å; K487-Y526 HydrophobicContact CB-CD1 4.49Å; K487-Y526 HydrophobicContact CB-CD2 3.93Å; K487-Y526 HydrophobicContact CB-CE1 4.12Å; K487-Y526 HydrophobicContact CB-CE2 3.47Å; K487-Y526 VanDerWaalsContact CB-CE2 3.47Å; K487-Y526 HydrophobicContact CB-CG 4.4Å; L488-Y526 PolarHBondContact N-OH 3.46Å; T523-Y526 HydrophobicContact CG2-CD2 3.99Å; T523-Y526 HydrophobicContact CG2-CE2 4.43Å; T523-Y526 PolarHBondContact O-N 3.1Å; P524-Y526 PolarHBondContact O-N 2.57Å; Y526-A528 PolarHBondContact O-N 2.85Å; Y526-S545 PolarHBondContact O-OG 2.81Å; Y526-V548 HydrophobicContact CD1-CB 3.66Å; Y526-V548 HydrophobicContact CD1-CG1 3.47Å; Y526-V548 VanDerWaalsContact CD1-CG1 3.47Å; Y526-V548 HydrophobicContact CE1-CB 4.03Å; Y526-V548 HydrophobicContact CE1-CG1 3.56Å; Y526-V548 HydrophobicContact CG-CB 4.45Å; Y526-V548 HydrophobicContact CG-CG1 4.04Å; Y526-L549 HydrophobicContact CE1-CB 4.09Å; Y526-E552 PolarHBondContact OH-OE2 3.07Å
527	I	92.3	Very high	86.9	Confident	5 Å²	5	43 Å²	43	3%	0.026	25%	0.246	C	C	.	.			trans	-67.5	130.2	-177.6	-62.5	-177.6	0	0	0	110.1	F520 T523 P524 I531 L532 W544 F569	F520-I527 HydrophobicContact CE1-CD1 4.12Å; F520-I527 HydrophobicContact CZ-CD1 4.05Å; T523-I527 WeakPolarHBondContact O-CG1 3.34Å; T523-I527 PolarHBondContact O-N 2.88Å; P524-I527 PolarHBondContact O-N 2.83Å; I527-I531 HydrophobicContact CG2-CB 3.72Å; I527-I531 HydrophobicContact CG2-CD1 4.27Å; I527-I531 HydrophobicContact CG2-CG2 3.82Å; I527-L532 HydrophobicContact CB-CD2 4.32Å; I527-L532 HydrophobicContact CG2-CD2 3.6Å; I527-L532 HydrophobicContact CG2-CG 3.85Å; I527-W544 PolarHBondContact O-NE1 3.47Å; I527-F569 HydrophobicContact CD1-CE1 4.31Å
528	A	96	Very high	87.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.			trans	-74.2	148.4	178.2	0	0	0	0	0	112.6	Y526 E530 I531 L532 V541 W544	Y526-A528 PolarHBondContact O-N 2.85Å; A528-E530 VanDerWaalsContact C-N 3.25Å; A528-E530 HydrophobicContact CB-CG 4.3Å; A528-E530 WeakPolarHBondContact CB-OE2 3.18Å; A528-E530 PolarHBondContact O-N 2.82Å; A528-E530 VanDerWaalsContact O-N 3.17Å; A528-I531 HydrophobicContact CB-CD1 4.46Å; A528-I531 HydrophobicContact CB-CG1 4.46Å; A528-I531 WeakPolarHBondContact O-CB 3.48Å; A528-I531 PolarHBondContact O-N 2.82Å; A528-L532 PolarHBondContact O-N 2.81Å; A528-V541 HydrophobicContact CB-CB 3.99Å; A528-V541 HydrophobicContact CB-CG1 3.93Å; A528-W544 HydrophobicContact CB-CB 3.77Å; A528-W544 HydrophobicContact CB-CD2 4.43Å; A528-W544 HydrophobicContact CB-CG 3.76Å
529	P	96.1	Very high	87.9	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-55.4	-37.2	-179.3	-24.6	30.6	0	0	0	113.6	I531 L532 L533 W544 I572 R597	P529-I531 VanDerWaalsContact C-N 3.28Å; P529-I531 PolarHBondContact O-N 2.84Å; P529-L532 PolarHBondContact O-N 3.3Å; P529-L533 WeakPolarHBondContact O-CB 3.3Å; P529-L533 VanDerWaalsContact O-CG 3.24Å; P529-L533 WeakPolarHBondContact O-CG 3.3Å; P529-L533 PolarHBondContact O-N 2.8Å; P529-W544 VanDerWaalsContact CD-CD2 3.46Å; P529-W544 VanDerWaalsContact CD-CE2 3.46Å; P529-W544 HydrophobicContact CG-CD2 4.27Å; P529-W544 HydrophobicContact CG-CE3 4.02Å; P529-W544 HydrophobicContact CG-CH2 3.43Å; P529-W544 VanDerWaalsContact CG-CH2 3.43Å; P529-W544 HydrophobicContact CG-CZ2 3.72Å; P529-W544 HydrophobicContact CG-CZ3 3.59Å; P529-I572 HydrophobicContact CG-CG2 4.01Å; P529-R597 HydrophobicContact CG-CG 4.21Å
530	E	95.2	Very high	88.8	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-30	178.8	60.7	-96.1	-141.4	0	0	113.3	A528 G534 Q535 S540 V541 P599 R602	A528-E530 VanDerWaalsContact C-N 3.25Å; A528-E530 HydrophobicContact CB-CG 4.3Å; A528-E530 WeakPolarHBondContact CB-OE2 3.18Å; A528-E530 PolarHBondContact O-N 2.82Å; A528-E530 VanDerWaalsContact O-N 3.17Å; E530-G534 PolarHBondContact O-N 3.07Å; E530-Q535 HydrophobicContact CB-CB 4.26Å; E530-Q535 WeakPolarHBondContact O-CB 3.23Å; E530-Q535 PolarHBondContact O-N 2.88Å; E530-S540 WeakPolarHBondContact OE1-CB 3.23Å; E530-S540 PolarHBondContact OE1-OG 3.36Å; E530-V541 HydrophobicContact CG-CG1 3.93Å; E530-V541 WeakPolarHBondContact OE1-CG1 3.47Å; E530-P599 HydrophobicContact CB-CG 4.39Å; E530-R602 IonicContact OE1-CZ 3.88Å; E530-R602 IonicContact OE1-NH1 2.7Å; E530-R602 PolarHBondContact OE1-NH1 2.76Å; E530-R602 IonicContact OE1-NH2 2.68Å; E530-R602 IonicContact OE2-CZ 3.65Å; E530-R602 IonicContact OE2-NH1 3.13Å; E530-R602 PolarHBondContact OE2-NH1 2.83Å; E530-R602 IonicContact OE2-NH2 3.46Å; E530-R602 PolarHBondContact OE2-NH2 2.88Å
531	I	90.4	Very high	89.6	Confident	9 Å²	9	33 Å²	33	5%	0.046	19%	0.193	C	C	.	.	H	α-helix	trans	-70.7	-45.9	174.2	-59.6	178.3	0	0	0	109.4	F520 I527 A528 P529 L533 G534 Y537 V541	F520-I531 HydrophobicContact CD2-CG2 3.79Å; F520-I531 HydrophobicContact CE2-CG2 4.22Å; F520-I531 HydrophobicContact CG-CG2 4.27Å; I527-I531 HydrophobicContact CG2-CB 3.72Å; I527-I531 HydrophobicContact CG2-CD1 4.27Å; I527-I531 HydrophobicContact CG2-CG2 3.82Å; A528-I531 HydrophobicContact CB-CD1 4.46Å; A528-I531 HydrophobicContact CB-CG1 4.46Å; A528-I531 WeakPolarHBondContact O-CB 3.48Å; A528-I531 PolarHBondContact O-N 2.82Å; P529-I531 VanDerWaalsContact C-N 3.28Å; P529-I531 PolarHBondContact O-N 2.84Å; I531-L533 PolarHBondContact O-N 2.79Å; I531-G534 PolarHBondContact O-N 2.79Å; I531-Y537 HydrophobicContact CD1-CE1 4.4Å; I531-Y537 HydrophobicContact CD1-CE2 4.46Å; I531-Y537 HydrophobicContact CG1-CD1 3.81Å; I531-Y537 HydrophobicContact CG1-CE1 3.88Å; I531-Y537 HydrophobicContact CG1-CG 4.17Å; I531-V541 HydrophobicContact CD1-CB 4.02Å; I531-V541 HydrophobicContact CD1-CG1 3.79Å; I531-V541 HydrophobicContact CG1-CG1 3.83Å
532	L	86.2	Confident	90.6	Very high	34 Å²	34	32.3 Å²	32.3	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-33.2	177.3	-59.5	-180	0	0	0	112.5	F520 I527 A528 P529 G534 F569 I572 R573	F520-L532 HydrophobicContact CE2-CD2 3.79Å; F520-L532 HydrophobicContact CZ-CD2 3.93Å; I527-L532 HydrophobicContact CB-CD2 4.32Å; I527-L532 HydrophobicContact CG2-CD2 3.6Å; I527-L532 HydrophobicContact CG2-CG 3.85Å; A528-L532 PolarHBondContact O-N 2.81Å; P529-L532 PolarHBondContact O-N 3.3Å; L532-G534 PolarHBondContact O-N 2.99Å; L532-F569 HydrophobicContact CD1-CB 3.93Å; L532-F569 HydrophobicContact CD1-CD1 4.1Å; L532-F569 HydrophobicContact CD1-CG 4.2Å; L532-F569 HydrophobicContact CD2-CB 4.22Å; L532-F569 HydrophobicContact CD2-CD1 3.6Å; L532-F569 HydrophobicContact CD2-CD2 4.12Å; L532-F569 HydrophobicContact CD2-CE1 3.94Å; L532-F569 HydrophobicContact CD2-CE2 4.42Å; L532-F569 HydrophobicContact CD2-CG 3.7Å; L532-F569 HydrophobicContact CD2-CZ 4.35Å; L532-I572 HydrophobicContact CD1-CB 3.91Å; L532-I572 HydrophobicContact CD1-CD1 4.25Å; L532-I572 HydrophobicContact CD1-CG2 3.58Å; L532-R573 HydrophobicContact CD1-CG 4.17Å
533	L	83.4	Confident	91.7	Very high	77 Å²	77	31.5 Å²	31.5	40%	0.403	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.3	176.4	-66.6	171.4	0	0	0	113.4	L180 P529 I531 Q535	L180-L533 HydrophobicContact CD1-CD2 4.48Å; P529-L533 WeakPolarHBondContact O-CB 3.3Å; P529-L533 VanDerWaalsContact O-CG 3.24Å; P529-L533 WeakPolarHBondContact O-CG 3.3Å; P529-L533 PolarHBondContact O-N 2.8Å; I531-L533 PolarHBondContact O-N 2.79Å; L533-Q535 VanDerWaalsContact C-N 3.25Å; L533-Q535 HydrophobicContact CB-CG 3.88Å; L533-Q535 PolarHBondContact O-N 3.4Å
534	G	82	Confident	92.5	Very high	69 Å²	69	30 Å²	30	71%	0.711	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	27.4	-178	0	0	0	0	0	113.5	E530 I531 L532	E530-G534 PolarHBondContact O-N 3.07Å; I531-G534 PolarHBondContact O-N 2.79Å; L532-G534 PolarHBondContact O-N 2.99Å
535	Q	87.6	Confident	93	Very high	90 Å²	90	28.4 Å²	28.4	42%	0.421	16%	0.158	S	C	.	.			trans	-82.3	158.5	178.6	-59.7	178.6	-2.6	0	0	110.8	E530 L533 Y537	E530-Q535 HydrophobicContact CB-CB 4.26Å; E530-Q535 WeakPolarHBondContact O-CB 3.23Å; E530-Q535 PolarHBondContact O-N 2.88Å; L533-Q535 VanDerWaalsContact C-N 3.25Å; L533-Q535 HydrophobicContact CB-CG 3.88Å; L533-Q535 PolarHBondContact O-N 3.4Å; Q535-Y537 WeakPolarHBondContact O-CD1 3.4Å
536	K	89.9	Confident	93.5	Very high	142 Å²	142	25.8 Å²	25.8	62%	0.617	14%	0.144	S	C	*	.			trans	-75.5	131	170.5	-54.6	-162.3	176.1	178.9	0	109.8	R516 A517 T518	R516-K536 HydrophobicContact CB-CB 3.82Å; R516-K536 HydrophobicContact CB-CD 4.46Å; A517-K536 WeakPolarHBondContact O-CA 3.19Å; T518-K536 HydrophobicContact CG2-CB 4.41Å; T518-K536 HydrophobicContact CG2-CD 4.15Å; T518-K536 HydrophobicContact CG2-CG 3.81Å
537	Y	92.3	Very high	93.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-127.7	164.1	-172.9	62.3	-95.2	0	0	0	113.1	I482 R484 R516 A517 T519 I531 Q535 V541	I482-Y537 HydrophobicContact CD1-CD2 4.34Å; I482-Y537 HydrophobicContact CD1-CE2 4.41Å; R484-Y537 HydrophobicContact CG-CE2 4.49Å; R484-Y537 PolarHBondContact NH1-OH 2.94Å; R516-Y537 WeakPolarHBondContact CA-O 3.48Å; R516-Y537 WeakPolarHBondContact CB-O 3.33Å; A517-Y537 HydrophobicContact CB-CD2 3.92Å; A517-Y537 HydrophobicContact CB-CE1 4.19Å; A517-Y537 HydrophobicContact CB-CE2 3.4Å; A517-Y537 VanDerWaalsContact CB-CE2 3.4Å; A517-Y537 HydrophobicContact CB-CG 4.49Å; A517-Y537 PolarHBondContact N-O 3.49Å; A517-Y537 PolarHBondContact O-N 3.4Å; T519-Y537 VanDerWaalsContact O-CE1 3.32Å; T519-Y537 WeakPolarHBondContact O-CE1 3.39Å; T519-Y537 PolarHBondContact O-OH 3.25Å; I531-Y537 HydrophobicContact CD1-CE1 4.4Å; I531-Y537 HydrophobicContact CD1-CE2 4.46Å; I531-Y537 HydrophobicContact CG1-CD1 3.81Å; I531-Y537 HydrophobicContact CG1-CE1 3.88Å; I531-Y537 HydrophobicContact CG1-CG 4.17Å; Q535-Y537 WeakPolarHBondContact O-CD1 3.4Å; Y537-V541 HydrophobicContact CD2-CB 4.39Å; Y537-V541 HydrophobicContact CD2-CG1 3.54Å; Y537-V541 HydrophobicContact CD2-CG2 3.93Å; Y537-V541 HydrophobicContact CE2-CG1 4.36Å; Y537-V541 HydrophobicContact CE2-CG2 4.22Å; Y537-V541 HydrophobicContact CG-CG1 3.74Å
538	S	93.8	Very high	93.9	Very high	29 Å²	29	25 Å²	25	20%	0.203	14%	0.141	C	C	.	.			trans	-135.2	-144.1	178.8	-175.7	0	0	0	0	108.3	V511 S540 V541	V511-S538 WeakPolarHBondContact CG1-OG 3.46Å; S538-S540 PolarHBondContact O-N 2.87Å; S538-V541 WeakPolarHBondContact O-CG2 3.45Å
539	F	95.4	Very high	94.1	Very high	40 Å²	40	25 Å²	25	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.7	-177.9	-47.8	-56.6	0	0	0	115	H477 I482 V511 V541 D542 I605	H477-F539 HydrophobicContact CB-CD1 3.92Å; H477-F539 HydrophobicContact CB-CE1 4.15Å; H477-F539 HydrophobicContact CB-CG 4.16Å; H477-F539 AromaticContact CD2-CD1 3.47Å; H477-F539 VanDerWaalsContact CD2-CD1 3.47Å; H477-F539 WeakPolarHBondContact CD2-CD1 3.37Å; H477-F539 AromaticContact CG-CD1 3.63Å; H477-F539 AromaticContact CG-CG 3.84Å; I482-F539 HydrophobicContact CG1-CD1 3.83Å; I482-F539 HydrophobicContact CG1-CE1 4.11Å; V511-F539 HydrophobicContact CB-CE1 4.3Å; V511-F539 HydrophobicContact CB-CZ 4.49Å; V511-F539 HydrophobicContact CG1-CE1 4.33Å; V511-F539 HydrophobicContact CG1-CZ 4.41Å; V511-F539 WeakPolarHBondContact O-CZ 3.39Å; F539-V541 PolarHBondContact O-N 3.02Å; F539-D542 PolarHBondContact O-N 3.37Å; F539-I605 HydrophobicContact CB-CD1 4.43Å
540	S	96.5	Very high	94.2	Very high	8 Å²	8	24.9 Å²	24.9	6%	0.056	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-31.1	-178	60.4	0	0	0	0	113.2	E530 S538 W543 W544 P599 R602	E530-S540 WeakPolarHBondContact OE1-CB 3.23Å; E530-S540 PolarHBondContact OE1-OG 3.36Å; S538-S540 PolarHBondContact O-N 2.87Å; S540-W543 PolarHBondContact O-N 2.88Å; S540-W544 PolarHBondContact O-N 3.28Å; S540-P599 WeakPolarHBondContact OG-CB 3.38Å; S540-R602 PolarHBondContact O-NH1 3.29Å
541	V	97.8	Very high	94.4	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-37.2	-177.4	-55.4	0	0	0	0	111.5	I482 R484 A528 E530 I531 Y537 S538 F539 W543 W544 S545	I482-V541 HydrophobicContact CG2-CG2 3.67Å; R484-V541 HydrophobicContact CG-CG2 4.36Å; A528-V541 HydrophobicContact CB-CB 3.99Å; A528-V541 HydrophobicContact CB-CG1 3.93Å; E530-V541 HydrophobicContact CG-CG1 3.93Å; E530-V541 WeakPolarHBondContact OE1-CG1 3.47Å; I531-V541 HydrophobicContact CD1-CB 4.02Å; I531-V541 HydrophobicContact CD1-CG1 3.79Å; I531-V541 HydrophobicContact CG1-CG1 3.83Å; Y537-V541 HydrophobicContact CD2-CB 4.39Å; Y537-V541 HydrophobicContact CD2-CG1 3.54Å; Y537-V541 HydrophobicContact CD2-CG2 3.93Å; Y537-V541 HydrophobicContact CE2-CG1 4.36Å; Y537-V541 HydrophobicContact CE2-CG2 4.22Å; Y537-V541 HydrophobicContact CG-CG1 3.74Å; S538-V541 WeakPolarHBondContact O-CG2 3.45Å; F539-V541 PolarHBondContact O-N 3.02Å; V541-W543 VanDerWaalsContact C-N 3.29Å; V541-W543 PolarHBondContact O-N 2.8Å; V541-W544 WeakPolarHBondContact O-CB 3.47Å; V541-W544 PolarHBondContact O-N 2.75Å; V541-S545 PolarHBondContact O-N 3.1Å; V541-S545 PolarHBondContact O-OG 3.19Å; V541-S545 VanDerWaalsContact O-OG 3.13Å
542	D	98.4	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-34.2	177.1	-68.9	-19.1	0	0	0	111.1	L473 H477 I482 Y483 R484 F539 S545 F546	L473-D542 HydrophobicContact CD2-CB 4.37Å; H477-D542 IonicContact CD2-OD2 3.66Å; H477-D542 IonicContact CE1-OD2 2.71Å; H477-D542 IonicContact NE2-OD2 3.68Å; H477-D542 PolarHBondContact NE2-OD2 3.27Å; I482-D542 VanDerWaalsContact CG2-OD2 3.28Å; I482-D542 WeakPolarHBondContact CG2-OD2 3.45Å; Y483-D542 PolarHBondContact N-OD1 2.83Å; Y483-D542 PolarHBondContact N-OD2 2.96Å; R484-D542 PolarHBondContact N-OD1 3.17Å; F539-D542 PolarHBondContact O-N 3.37Å; D542-S545 PolarHBondContact O-N 3.24Å; D542-F546 VanDerWaalsContact O-CB 3.25Å; D542-F546 WeakPolarHBondContact O-CB 3.38Å; D542-F546 PolarHBondContact O-N 3.38Å
543	W	98.6	Very high	95.3	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-71.2	-30.9	175.6	-64	126.3	0	0	0	113.1	V470 L473 Q474 H477 S540 V541 F546 G547 L594 L609	V470-W543 HydrophobicContact CG1-CH2 4.33Å; V470-W543 HydrophobicContact CG2-CZ3 4.13Å; L473-W543 HydrophobicContact CB-CH2 4.04Å; L473-W543 HydrophobicContact CB-CZ3 4.36Å; L473-W543 HydrophobicContact CD1-CE3 4.4Å; L473-W543 HydrophobicContact CD1-CH2 4.44Å; L473-W543 HydrophobicContact CD1-CZ3 3.94Å; Q474-W543 HydrophobicContact CG-CH2 3.92Å; Q474-W543 HydrophobicContact CG-CZ2 4.07Å; H477-W543 AromaticContact CE1-CE2 3.76Å; H477-W543 AromaticContact CE1-CZ2 3.81Å; H477-W543 AromaticContact CE1-NE1 3.77Å; H477-W543 AromaticContact ND1-CE2 3.86Å; H477-W543 AromaticContact ND1-CZ2 3.65Å; H477-W543 AromaticContact ND1-NE1 3.79Å; S540-W543 PolarHBondContact O-N 2.88Å; V541-W543 VanDerWaalsContact C-N 3.29Å; V541-W543 PolarHBondContact O-N 2.8Å; W543-F546 HydrophobicContact CE3-CB 4.24Å; W543-F546 HydrophobicContact CE3-CD1 4.14Å; W543-F546 HydrophobicContact CE3-CG 4.27Å; W543-F546 HydrophobicContact CZ3-CD1 4.48Å; W543-F546 HydrophobicContact CZ3-CG 4.49Å; W543-G547 PolarHBondContact O-N 3.1Å; W543-G547 VanDerWaalsContact O-N 3.09Å; W543-L594 HydrophobicContact CB-CD2 4.33Å; W543-L609 HydrophobicContact CD2-CD1 4.13Å; W543-L609 HydrophobicContact CD2-CD2 4.45Å; W543-L609 HydrophobicContact CE3-CD1 4.08Å; W543-L609 HydrophobicContact CE3-CD2 3.61Å; W543-L609 HydrophobicContact CH2-CD1 4.47Å; W543-L609 HydrophobicContact CH2-CD2 4.31Å; W543-L609 HydrophobicContact CZ2-CD1 4.48Å; W543-L609 HydrophobicContact CZ3-CD1 4.28Å; W543-L609 HydrophobicContact CZ3-CD2 3.55Å
544	W	98.6	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-52	169.9	178	-85.3	0	0	0	110.9	I527 A528 P529 S540 V541 F546 G547 V548 F560 I572 F595 R597	I527-W544 PolarHBondContact O-NE1 3.47Å; A528-W544 HydrophobicContact CB-CB 3.77Å; A528-W544 HydrophobicContact CB-CD2 4.43Å; A528-W544 HydrophobicContact CB-CG 3.76Å; P529-W544 VanDerWaalsContact CD-CD2 3.46Å; P529-W544 VanDerWaalsContact CD-CE2 3.46Å; P529-W544 HydrophobicContact CG-CD2 4.27Å; P529-W544 HydrophobicContact CG-CE3 4.02Å; P529-W544 HydrophobicContact CG-CH2 3.43Å; P529-W544 VanDerWaalsContact CG-CH2 3.43Å; P529-W544 HydrophobicContact CG-CZ2 3.72Å; P529-W544 HydrophobicContact CG-CZ3 3.59Å; S540-W544 PolarHBondContact O-N 3.28Å; V541-W544 WeakPolarHBondContact O-CB 3.47Å; V541-W544 PolarHBondContact O-N 2.75Å; W544-F546 PolarHBondContact O-N 2.92Å; W544-G547 WeakPolarHBondContact O-CA 3.44Å; W544-G547 PolarHBondContact O-N 2.95Å; W544-V548 PolarHBondContact O-N 3.21Å; W544-F560 HydrophobicContact CH2-CE2 4.16Å; W544-F560 AromaticContact CH2-CZ 3.82Å; W544-F560 HydrophobicContact CH2-CZ 3.82Å; W544-F560 HydrophobicContact CZ2-CD2 4.43Å; W544-F560 AromaticContact CZ2-CE2 3.41Å; W544-F560 HydrophobicContact CZ2-CE2 3.41Å; W544-F560 VanDerWaalsContact CZ2-CE2 3.41Å; W544-F560 AromaticContact CZ2-CZ 3.55Å; W544-F560 HydrophobicContact CZ2-CZ 3.55Å; W544-I572 HydrophobicContact CZ2-CG2 3.88Å; W544-F595 HydrophobicContact CD2-CD1 4.29Å; W544-F595 HydrophobicContact CE3-CD1 4.21Å; W544-F595 HydrophobicContact CH2-CB 4.42Å; W544-F595 HydrophobicContact CH2-CD1 4.12Å; W544-F595 HydrophobicContact CZ2-CD1 4.16Å; W544-F595 HydrophobicContact CZ3-CB 4.19Å; W544-F595 HydrophobicContact CZ3-CD1 4.15Å; W544-R597 HydrophobicContact CH2-CG 4.43Å; W544-R597 HydrophobicContact CZ3-CG 4.32Å
545	S	98.6	Very high	96.7	Very high	8 Å²	8	18 Å²	18	6%	0.056	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-34.2	178.3	-50.8	0	0	0	0	111.7	Y526 V541 D542 V548 L549	Y526-S545 PolarHBondContact O-OG 2.81Å; V541-S545 PolarHBondContact O-N 3.1Å; V541-S545 PolarHBondContact O-OG 3.19Å; V541-S545 VanDerWaalsContact O-OG 3.13Å; D542-S545 PolarHBondContact O-N 3.24Å; S545-V548 PolarHBondContact O-N 3.22Å; S545-L549 WeakPolarHBondContact O-CB 3.47Å; S545-L549 PolarHBondContact O-N 2.85Å
546	F	98.8	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-40	171.4	172.2	-102.4	0	0	0	112.3	I469 V470 L473 L486 D542 W543 W544 L549 L550 L594 L609 F615	I469-F546 HydrophobicContact CB-CE2 4.36Å; I469-F546 HydrophobicContact CG2-CD2 3.85Å; I469-F546 HydrophobicContact CG2-CE2 4.16Å; V470-F546 HydrophobicContact CG2-CE1 4.11Å; V470-F546 HydrophobicContact CG2-CE2 3.76Å; V470-F546 HydrophobicContact CG2-CZ 3.53Å; L473-F546 HydrophobicContact CD1-CB 4.3Å; L486-F546 HydrophobicContact CD2-CB 3.87Å; D542-F546 VanDerWaalsContact O-CB 3.25Å; D542-F546 WeakPolarHBondContact O-CB 3.38Å; D542-F546 PolarHBondContact O-N 3.38Å; W543-F546 HydrophobicContact CE3-CB 4.24Å; W543-F546 HydrophobicContact CE3-CD1 4.14Å; W543-F546 HydrophobicContact CE3-CG 4.27Å; W543-F546 HydrophobicContact CZ3-CD1 4.48Å; W543-F546 HydrophobicContact CZ3-CG 4.49Å; W544-F546 PolarHBondContact O-N 2.92Å; F546-L549 PolarHBondContact O-N 3.24Å; F546-L550 WeakPolarHBondContact O-CB 3.44Å; F546-L550 PolarHBondContact O-N 3.15Å; F546-L594 HydrophobicContact CD1-CD1 3.67Å; F546-L594 HydrophobicContact CD1-CD2 4.08Å; F546-L594 HydrophobicContact CE1-CD1 3.74Å; F546-L609 HydrophobicContact CD1-CD2 3.92Å; F546-L609 HydrophobicContact CE1-CD2 3.57Å; F546-L609 HydrophobicContact CZ-CD2 4.34Å; F546-F615 HydrophobicContact CZ-CZ 4.24Å
547	G	98.7	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-44	172.4	0	0	0	0	0	112.6	W543 W544 L550 Y551 L591 F595	W543-G547 PolarHBondContact O-N 3.1Å; W543-G547 VanDerWaalsContact O-N 3.09Å; W544-G547 WeakPolarHBondContact O-CA 3.44Å; W544-G547 PolarHBondContact O-N 2.95Å; G547-L550 PolarHBondContact O-N 3.48Å; G547-Y551 WeakPolarHBondContact O-CB 3.33Å; G547-Y551 PolarHBondContact O-N 3.48Å; G547-L591 VanDerWaalsContact O-CD2 3.31Å; G547-L591 WeakPolarHBondContact O-CD2 2.88Å; G547-F595 WeakPolarHBondContact O-CZ 3.23Å
548	V	98.7	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-50.5	174.9	178.7	0	0	0	0	110.5	Y526 W544 S545 L550 Y551 E552 P559 F595	Y526-V548 HydrophobicContact CD1-CB 3.66Å; Y526-V548 HydrophobicContact CD1-CG1 3.47Å; Y526-V548 VanDerWaalsContact CD1-CG1 3.47Å; Y526-V548 HydrophobicContact CE1-CB 4.03Å; Y526-V548 HydrophobicContact CE1-CG1 3.56Å; Y526-V548 HydrophobicContact CG-CB 4.45Å; Y526-V548 HydrophobicContact CG-CG1 4.04Å; W544-V548 PolarHBondContact O-N 3.21Å; S545-V548 PolarHBondContact O-N 3.22Å; V548-L550 PolarHBondContact O-N 2.95Å; V548-Y551 WeakPolarHBondContact O-CB 3.36Å; V548-Y551 PolarHBondContact O-N 3.19Å; V548-Y551 VanDerWaalsContact O-N 3.16Å; V548-E552 WeakPolarHBondContact O-CG 3.49Å; V548-E552 PolarHBondContact O-N 3.24Å; V548-P559 HydrophobicContact CB-CG 4.32Å; V548-P559 HydrophobicContact CG1-CG 3.98Å; V548-P559 HydrophobicContact CG2-CG 4.07Å; V548-F595 HydrophobicContact CG2-CE1 3.78Å; V548-F595 HydrophobicContact CG2-CZ 4.39Å
549	L	98.6	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-44.8	179.7	-168.4	156.9	0	0	0	112.1	I469 L486 L488 V491 Y526 S545 F546 Y551 E552 M553	I469-L549 HydrophobicContact CD1-CD1 4.42Å; I469-L549 HydrophobicContact CD1-CD2 3.77Å; L486-L549 HydrophobicContact CD1-CD1 4.03Å; L486-L549 HydrophobicContact CD2-CD1 4.21Å; L486-L549 HydrophobicContact CG-CD1 3.74Å; L488-L549 HydrophobicContact CD2-CD2 4.28Å; L488-L549 HydrophobicContact CD2-CG 4.06Å; L488-L549 HydrophobicContact CG-CG 4.49Å; V491-L549 HydrophobicContact CG2-CD1 3.88Å; Y526-L549 HydrophobicContact CE1-CB 4.09Å; S545-L549 WeakPolarHBondContact O-CB 3.47Å; S545-L549 PolarHBondContact O-N 2.85Å; F546-L549 PolarHBondContact O-N 3.24Å; L549-Y551 PolarHBondContact O-N 3.11Å; L549-E552 PolarHBondContact O-N 3.03Å; L549-M553 HydrophobicContact CD2-CE 3.55Å; L549-M553 HydrophobicContact CD2-CG 4.08Å; L549-M553 HydrophobicContact CD2-SD 3.84Å; L549-M553 WeakPolarHBondContact O-CG 3.36Å; L549-M553 PolarHBondContact O-N 3.35Å
550	L	98.7	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.8	-40	176.2	172.3	59.7	0	0	0	112.1	S466 F546 G547 V548 E552 M553 L554 L590 L591 F614	S466-L550 WeakPolarHBondContact OG-CD1 3.2Å; F546-L550 WeakPolarHBondContact O-CB 3.44Å; F546-L550 PolarHBondContact O-N 3.15Å; G547-L550 PolarHBondContact O-N 3.48Å; V548-L550 PolarHBondContact O-N 2.95Å; L550-E552 VanDerWaalsContact C-N 3.34Å; L550-M553 HydrophobicContact CD1-CE 4.21Å; L550-M553 PolarHBondContact O-N 2.7Å; L550-L554 HydrophobicContact CD1-CD1 3.62Å; L550-L554 HydrophobicContact CD1-CG 3.89Å; L550-L554 HydrophobicContact CG-CD1 3.99Å; L550-L554 WeakPolarHBondContact O-CG 3.41Å; L550-L554 PolarHBondContact O-N 3.33Å; L550-L554 VanDerWaalsContact O-N 3.11Å; L550-L590 HydrophobicContact CD2-CD2 3.55Å; L550-L590 HydrophobicContact CD2-CG 4.06Å; L550-L591 HydrophobicContact CB-CD2 4.2Å; L550-L591 HydrophobicContact CD2-CD2 4.06Å; L550-L591 HydrophobicContact CD2-CG 4.39Å; L550-L591 HydrophobicContact CG-CD2 3.97Å; L550-F614 HydrophobicContact CD1-CE1 4.28Å; L550-F614 HydrophobicContact CD1-CZ 3.84Å; L550-F614 HydrophobicContact CD2-CE1 4.41Å; L550-F614 HydrophobicContact CD2-CZ 4.44Å
551	Y	98.7	Very high	97.1	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-48.8	175.7	-175.9	-80.2	0	0	0	110.5	G547 V548 L549 M553 L554 I555 Q557 S558 P559 P577 H578 Y579 L591 F595	G547-Y551 WeakPolarHBondContact O-CB 3.33Å; G547-Y551 PolarHBondContact O-N 3.48Å; V548-Y551 WeakPolarHBondContact O-CB 3.36Å; V548-Y551 PolarHBondContact O-N 3.19Å; V548-Y551 VanDerWaalsContact O-N 3.16Å; L549-Y551 PolarHBondContact O-N 3.11Å; Y551-M553 PolarHBondContact O-N 2.78Å; Y551-L554 PolarHBondContact O-N 2.71Å; Y551-I555 HydrophobicContact CD1-CB 4.27Å; Y551-I555 HydrophobicContact CD1-CD1 3.95Å; Y551-I555 HydrophobicContact CD2-CD1 3.48Å; Y551-I555 VanDerWaalsContact CD2-CD1 3.48Å; Y551-I555 HydrophobicContact CE1-CB 4.04Å; Y551-I555 HydrophobicContact CE1-CD1 3.7Å; Y551-I555 HydrophobicContact CE1-CG1 4.45Å; Y551-I555 HydrophobicContact CE1-CG2 4.1Å; Y551-I555 HydrophobicContact CE2-CD1 3.2Å; Y551-I555 HydrophobicContact CG-CD1 3.85Å; Y551-I555 WeakPolarHBondContact O-CB 3.38Å; Y551-I555 PolarHBondContact O-N 3.15Å; Y551-Q557 WeakPolarHBondContact CD1-O 3.23Å; Y551-Q557 HydrophobicContact CE1-CG 4.14Å; Y551-Q557 WeakPolarHBondContact CE1-O 3.27Å; Y551-S558 WeakPolarHBondContact CE1-O 3.46Å; Y551-P559 HydrophobicContact CD1-CB 3.85Å; Y551-P559 HydrophobicContact CD1-CG 4.2Å; Y551-P559 HydrophobicContact CD2-CB 3.96Å; Y551-P559 VanDerWaalsContact CE1-CA 3.47Å; Y551-P559 HydrophobicContact CE1-CB 3.93Å; Y551-P559 HydrophobicContact CE2-CB 4.03Å; Y551-P559 HydrophobicContact CG-CB 3.86Å; Y551-P559 HydrophobicContact CG-CG 4.27Å; Y551-P577 HydrophobicContact CE2-CB 3.95Å; Y551-H578 WeakPolarHBondContact CE2-O 3.38Å; Y551-H578 PolarHBondContact OH-O 2.68Å; Y551-Y579 HydrophobicContact CD2-CE1 4.22Å; Y551-Y579 HydrophobicContact CE2-CD1 4.29Å; Y551-Y579 HydrophobicContact CE2-CE1 4.16Å; Y551-L591 HydrophobicContact CD2-CD1 4.24Å; Y551-F595 AromaticContact CD2-CE2 3.99Å; Y551-F595 HydrophobicContact CD2-CE2 3.99Å; Y551-F595 HydrophobicContact CD2-CZ 4.47Å; Y551-F595 HydrophobicContact CG-CE2 4.47Å
552	E	98	Very high	96.5	Very high	21 Å²	21	17 Å²	17	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-45.6	178.6	-70.4	179.5	140.3	0	0	111.7	I451 L488 Y526 V548 L549 L550 L554 I555 G556	I451-E552 VanDerWaalsContact CD1-O 3.26Å; I451-E552 WeakPolarHBondContact CD1-O 3.4Å; L488-E552 HydrophobicContact CD1-CB 4.07Å; L488-E552 WeakPolarHBondContact CD1-OE2 3.42Å; Y526-E552 PolarHBondContact OH-OE2 3.07Å; V548-E552 WeakPolarHBondContact O-CG 3.49Å; V548-E552 PolarHBondContact O-N 3.24Å; L549-E552 PolarHBondContact O-N 3.03Å; L550-E552 VanDerWaalsContact C-N 3.34Å; E552-L554 VanDerWaalsContact C-N 3.26Å; E552-L554 PolarHBondContact O-N 3.49Å; E552-I555 PolarHBondContact O-N 3.21Å; E552-G556 VanDerWaalsContact O-CA 3.26Å; E552-G556 WeakPolarHBondContact O-CA 3.29Å; E552-G556 PolarHBondContact O-N 2.87Å
553	M	98.3	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-39.2	176.6	-73.1	-165.4	-61.1	0	0	112.8	L447 F457 A462 Y465 S466 L488 L549 L550 Y551	L447-M553 HydrophobicContact CD1-SD 3.98Å; F457-M553 HydrophobicContact CD2-CB 3.9Å; F457-M553 HydrophobicContact CD2-CG 3.71Å; F457-M553 HydrophobicContact CD2-SD 3.88Å; F457-M553 HydrophobicContact CE2-CG 3.91Å; F457-M553 HydrophobicContact CE2-SD 4.06Å; F457-M553 PolarHBondContact N-O 3.36Å; A462-M553 HydrophobicContact CB-CB 4.12Å; Y465-M553 HydrophobicContact CD2-SD 4.22Å; S466-M553 WeakPolarHBondContact OG-CE 3.32Å; L488-M553 HydrophobicContact CD2-CG 4.09Å; L549-M553 HydrophobicContact CD2-CE 3.55Å; L549-M553 HydrophobicContact CD2-CG 4.08Å; L549-M553 HydrophobicContact CD2-SD 3.84Å; L549-M553 WeakPolarHBondContact O-CG 3.36Å; L549-M553 PolarHBondContact O-N 3.35Å; L550-M553 HydrophobicContact CD1-CE 4.21Å; L550-M553 PolarHBondContact O-N 2.7Å; Y551-M553 PolarHBondContact O-N 2.78Å
554	L	98.1	Very high	94.8	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-83.9	-32.2	-176.6	-71	173.3	0	0	0	113.9	L459 A462 L550 Y551 E552 I583 A587 L591 F614	L459-L554 HydrophobicContact CD1-CD2 4.02Å; A462-L554 HydrophobicContact CB-CD2 3.58Å; A462-L554 HydrophobicContact CB-CG 4.12Å; L550-L554 HydrophobicContact CD1-CD1 3.62Å; L550-L554 HydrophobicContact CD1-CG 3.89Å; L550-L554 HydrophobicContact CG-CD1 3.99Å; L550-L554 WeakPolarHBondContact O-CG 3.41Å; L550-L554 PolarHBondContact O-N 3.33Å; L550-L554 VanDerWaalsContact O-N 3.11Å; Y551-L554 PolarHBondContact O-N 2.71Å; E552-L554 VanDerWaalsContact C-N 3.26Å; E552-L554 PolarHBondContact O-N 3.49Å; L554-I583 HydrophobicContact CB-CD1 4Å; L554-A587 HydrophobicContact CD1-CB 3.84Å; L554-L591 HydrophobicContact CD1-CD1 4.21Å; L554-F614 HydrophobicContact CD1-CE2 4.46Å
555	I	97.1	Very high	93.8	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.082	19%	0.19	C	C	.	.	H	α-helix	trans	-112.2	-30.5	-168.3	-62	168.3	0	0	0	111.9	Y551 E552 Q557 P580 I583	Y551-I555 HydrophobicContact CD1-CB 4.27Å; Y551-I555 HydrophobicContact CD1-CD1 3.95Å; Y551-I555 HydrophobicContact CD2-CD1 3.48Å; Y551-I555 VanDerWaalsContact CD2-CD1 3.48Å; Y551-I555 HydrophobicContact CE1-CB 4.04Å; Y551-I555 HydrophobicContact CE1-CD1 3.7Å; Y551-I555 HydrophobicContact CE1-CG1 4.45Å; Y551-I555 HydrophobicContact CE1-CG2 4.1Å; Y551-I555 HydrophobicContact CE2-CD1 3.2Å; Y551-I555 HydrophobicContact CG-CD1 3.85Å; Y551-I555 WeakPolarHBondContact O-CB 3.38Å; Y551-I555 PolarHBondContact O-N 3.15Å; E552-I555 PolarHBondContact O-N 3.21Å; I555-Q557 HydrophobicContact CG2-CG 3.83Å; I555-P580 HydrophobicContact CG2-CG 4.04Å; I555-I583 HydrophobicContact CD1-CD1 4.35Å; I555-I583 HydrophobicContact CD1-CG1 4.24Å; I555-I583 HydrophobicContact CG1-CD1 3.72Å; I555-I583 HydrophobicContact CG1-CG1 4.02Å
556	G	93.6	Very high	93	Very high	39 Å²	39	39.3 Å²	39.3	40%	0.402	22%	0.217	S	C	.	.	S	Bend	trans	85.6	13.8	178.8	0	0	0	0	0	115	G455 E552	G455-G556 WeakPolarHBondContact O-CA 3.42Å; E552-G556 VanDerWaalsContact O-CA 3.26Å; E552-G556 WeakPolarHBondContact O-CA 3.29Å; E552-G556 PolarHBondContact O-N 2.87Å
557	Q	92.9	Very high	92.6	Very high	88 Å²	88	44 Å²	44	41%	0.411	24%	0.239	S	C	.	.	S	Bend	trans	-146.9	163.1	177.3	73.5	-166.8	-6.2	0	0	109.7	Y551 I555	Y551-Q557 WeakPolarHBondContact CD1-O 3.23Å; Y551-Q557 HydrophobicContact CE1-CG 4.14Å; Y551-Q557 WeakPolarHBondContact CE1-O 3.27Å; I555-Q557 HydrophobicContact CG2-CG 3.83Å
558	S	95.1	Very high	92.1	Very high	16 Å²	16	44.6 Å²	44.6	11%	0.112	24%	0.242	C	C	.	.			trans	-66.2	147.6	175.5	-174.7	0	0	0	0	111.4	D525 Y551 F560 H561	D525-S558 PolarHBondContact OD1-OG 3.43Å; Y551-S558 WeakPolarHBondContact CE1-O 3.46Å; S558-F560 VanDerWaalsContact C-N 3.3Å; S558-F560 WeakPolarHBondContact CB-O 3.5Å; S558-F560 PolarHBondContact OG-O 2.91Å; S558-H561 PolarHBondContact O-CE1 2.94Å; S558-H561 PolarHBondContact O-NE2 3.09Å
559	P	96.7	Very high	91.8	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.045	25%	0.249	C	C	.	.	S	Bend	trans	-69.9	-25	173.2	25	-32.2	0	0	0	113.7	V548 Y551 P577 F595	V548-P559 HydrophobicContact CB-CG 4.32Å; V548-P559 HydrophobicContact CG1-CG 3.98Å; V548-P559 HydrophobicContact CG2-CG 4.07Å; Y551-P559 HydrophobicContact CD1-CB 3.85Å; Y551-P559 HydrophobicContact CD1-CG 4.2Å; Y551-P559 HydrophobicContact CD2-CB 3.96Å; Y551-P559 VanDerWaalsContact CE1-CA 3.47Å; Y551-P559 HydrophobicContact CE1-CB 3.93Å; Y551-P559 HydrophobicContact CE2-CB 4.03Å; Y551-P559 HydrophobicContact CG-CB 3.86Å; Y551-P559 HydrophobicContact CG-CG 4.27Å; P559-P577 HydrophobicContact CB-CB 4.09Å; P559-P577 HydrophobicContact CB-CG 4.26Å; P559-F595 HydrophobicContact CB-CE2 4.3Å; P559-F595 HydrophobicContact CB-CZ 3.98Å; P559-F595 HydrophobicContact CG-CE1 4.34Å; P559-F595 HydrophobicContact CG-CZ 3.9Å
560	F	96.6	Very high	91.5	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-127.7	150.3	-176.1	-51.4	-72.3	0	0	0	109.9	W544 S558 L568 I572 P577 F595	W544-F560 HydrophobicContact CH2-CE2 4.16Å; W544-F560 AromaticContact CH2-CZ 3.82Å; W544-F560 HydrophobicContact CH2-CZ 3.82Å; W544-F560 HydrophobicContact CZ2-CD2 4.43Å; W544-F560 AromaticContact CZ2-CE2 3.41Å; W544-F560 HydrophobicContact CZ2-CE2 3.41Å; W544-F560 VanDerWaalsContact CZ2-CE2 3.41Å; W544-F560 AromaticContact CZ2-CZ 3.55Å; W544-F560 HydrophobicContact CZ2-CZ 3.55Å; S558-F560 VanDerWaalsContact C-N 3.3Å; S558-F560 WeakPolarHBondContact CB-O 3.5Å; S558-F560 PolarHBondContact OG-O 2.91Å; F560-L568 HydrophobicContact CB-CD1 4.06Å; F560-I572 HydrophobicContact CB-CG1 3.8Å; F560-I572 HydrophobicContact CD1-CG1 4.49Å; F560-I572 HydrophobicContact CD2-CB 4.5Å; F560-I572 HydrophobicContact CD2-CG1 3.7Å; F560-I572 HydrophobicContact CE2-CG1 4.45Å; F560-I572 HydrophobicContact CG-CB 4.42Å; F560-I572 HydrophobicContact CG-CG1 3.74Å; F560-P577 HydrophobicContact CE1-CG 3.8Å; F560-P577 HydrophobicContact CZ-CG 3.76Å; F560-F595 HydrophobicContact CE2-CD1 4.33Å; F560-F595 HydrophobicContact CE2-CE1 4.2Å; F560-F595 HydrophobicContact CZ-CD1 4.31Å
561	H	89.3	Confident	91.3	Very high	111 Å²	111	50.7 Å²	50.7	51%	0.514	27%	0.271	S	S	.	.			trans	-144.3	153.8	-174.7	-54.3	86.7	0	0	0	110.7	S558 S571	S558-H561 PolarHBondContact O-CE1 2.94Å; S558-H561 PolarHBondContact O-NE2 3.09Å; H561-S571 PolarHBondContact N-OG 3.5Å; H561-S571 VanDerWaalsContact O-CB 3.23Å; H561-S571 WeakPolarHBondContact O-CB 3.35Å; H561-S571 PolarHBondContact O-OG 2.83Å
562	G	85.4	Confident	91.1	Very high	33 Å²	33	50.6 Å²	50.6	34%	0.34	27%	0.271	S	S	.	.			trans	-165	151.6	170.9	0	0	0	0	0	110.1	D564	G562-D564 PolarHBondContact O-N 3.02Å
563	D	79.4	Confident	90.9	Very high	160 Å²	160	53.6 Å²	53.6	86%	0.856	28%	0.281	S	S	*	.	S	Bend	trans	-73.7	-19.6	175.9	-73	-23.3	0	0	0	111.4	E567	D563-E567 WeakPolarHBondContact CB-OE2 3.44Å; D563-E567 PolarHBondContact N-OE2 3.33Å
564	D	80.4	Confident	90.7	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	31%	0.305	S	S	.	.	S	Bend	trans	-139.6	175.4	171.5	63.7	45.1	0	0	0	112	G562 D566 E567 L568	G562-D564 PolarHBondContact O-N 3.02Å; D564-D566 VanDerWaalsContact C-N 3.29Å; D564-D566 PolarHBondContact O-N 3Å; D564-D566 WeakPolarHBondContact OD1-CA 3.34Å; D564-D566 WeakPolarHBondContact OD1-CB 3.46Å; D564-D566 PolarHBondContact OD1-N 2.93Å; D564-E567 PolarHBondContact O-N 3.19Å; D564-E567 PolarHBondContact OD1-N 2.85Å; D564-L568 WeakPolarHBondContact O-CB 3.43Å; D564-L568 PolarHBondContact O-N 2.9Å
565	E	78.8	Confident	90.6	Very high	121 Å²	121	61 Å²	61	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-35	-179.2	-67.8	-175.6	166.3	0	0	112.7	L568 F569	E565-L568 PolarHBondContact O-N 2.66Å; E565-F569 HydrophobicContact CB-CD2 4.44Å; E565-F569 HydrophobicContact CB-CE2 3.97Å; E565-F569 HydrophobicContact CB-CZ 4.15Å; E565-F569 VanDerWaalsContact O-CB 3.27Å; E565-F569 WeakPolarHBondContact O-CB 3.46Å; E565-F569 WeakPolarHBondContact O-CD1 3.48Å; E565-F569 WeakPolarHBondContact O-CD2 3.36Å; E565-F569 WeakPolarHBondContact O-CG 3.43Å; E565-F569 PolarHBondContact O-N 2.94Å
566	D	80.9	Confident	90.5	Very high	116 Å²	116	65.7 Å²	65.7	62%	0.62	35%	0.353	S	S	*	.	H	α-helix	trans	-69.1	-42.3	-178.9	-76.6	-31.3	0	0	0	110.4	D564 F569 E570	D564-D566 VanDerWaalsContact C-N 3.29Å; D564-D566 PolarHBondContact O-N 3Å; D564-D566 WeakPolarHBondContact OD1-CA 3.34Å; D564-D566 WeakPolarHBondContact OD1-CB 3.46Å; D564-D566 PolarHBondContact OD1-N 2.93Å; D566-F569 PolarHBondContact O-N 3.09Å; D566-E570 WeakPolarHBondContact O-CB 3.43Å; D566-E570 PolarHBondContact O-N 2.95Å
567	E	90.3	Very high	90.7	Very high	98 Å²	98	64.3 Å²	64.3	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-43	173.7	-70.8	-170.8	170.4	0	0	111.9	D563 D564 E570 S571	D563-E567 WeakPolarHBondContact CB-OE2 3.44Å; D563-E567 PolarHBondContact N-OE2 3.33Å; D564-E567 PolarHBondContact O-N 3.19Å; D564-E567 PolarHBondContact OD1-N 2.85Å; E567-E570 PolarHBondContact O-N 3.48Å; E567-S571 WeakPolarHBondContact O-CB 3.48Å; E567-S571 PolarHBondContact O-N 3.36Å
568	L	89.3	Confident	90.8	Very high	13 Å²	13	66 Å²	66	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-46.1	176.3	175.7	62.3	0	0	0	111.2	P524 F560 D564 E565 E570 S571 I572	P524-L568 HydrophobicContact CB-CD2 3.85Å; F560-L568 HydrophobicContact CB-CD1 4.06Å; D564-L568 WeakPolarHBondContact O-CB 3.43Å; D564-L568 PolarHBondContact O-N 2.9Å; E565-L568 PolarHBondContact O-N 2.66Å; L568-E570 VanDerWaalsContact C-N 3.32Å; L568-E570 PolarHBondContact O-N 3Å; L568-S571 WeakPolarHBondContact O-CB 3.49Å; L568-S571 PolarHBondContact O-N 3.16Å; L568-I572 HydrophobicContact CD1-CD1 4.35Å; L568-I572 HydrophobicContact CG-CD1 4.16Å; L568-I572 WeakPolarHBondContact O-CG1 3.49Å; L568-I572 PolarHBondContact O-N 3.42Å
569	F	91.4	Very high	90.9	Very high	34 Å²	34	67 Å²	67	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-33.9	178.7	-65.5	-18.3	0	0	0	112.4	F520 P524 I527 L532 E565 D566 I572 R573	F520-F569 HydrophobicContact CZ-CE2 4.26Å; F520-F569 HydrophobicContact CZ-CZ 4.22Å; P524-F569 HydrophobicContact CB-CE1 4.04Å; P524-F569 HydrophobicContact CB-CZ 4.46Å; I527-F569 HydrophobicContact CD1-CE1 4.31Å; L532-F569 HydrophobicContact CD1-CB 3.93Å; L532-F569 HydrophobicContact CD1-CD1 4.1Å; L532-F569 HydrophobicContact CD1-CG 4.2Å; L532-F569 HydrophobicContact CD2-CB 4.22Å; L532-F569 HydrophobicContact CD2-CD1 3.6Å; L532-F569 HydrophobicContact CD2-CD2 4.12Å; L532-F569 HydrophobicContact CD2-CE1 3.94Å; L532-F569 HydrophobicContact CD2-CE2 4.42Å; L532-F569 HydrophobicContact CD2-CG 3.7Å; L532-F569 HydrophobicContact CD2-CZ 4.35Å; E565-F569 HydrophobicContact CB-CD2 4.44Å; E565-F569 HydrophobicContact CB-CE2 3.97Å; E565-F569 HydrophobicContact CB-CZ 4.15Å; E565-F569 VanDerWaalsContact O-CB 3.27Å; E565-F569 WeakPolarHBondContact O-CB 3.46Å; E565-F569 WeakPolarHBondContact O-CD1 3.48Å; E565-F569 WeakPolarHBondContact O-CD2 3.36Å; E565-F569 WeakPolarHBondContact O-CG 3.43Å; E565-F569 PolarHBondContact O-N 2.94Å; D566-F569 PolarHBondContact O-N 3.09Å; F569-I572 HydrophobicContact CD1-CD1 4.29Å; F569-R573 WeakPolarHBondContact O-CB 3.26Å; F569-R573 VanDerWaalsContact O-CG 3.24Å; F569-R573 WeakPolarHBondContact O-CG 3.2Å; F569-R573 PolarHBondContact O-N 3.22Å; F569-R573 VanDerWaalsContact O-N 3.17Å
570	E	91.8	Very high	90.9	Very high	86 Å²	86	67.1 Å²	67.1	40%	0.402	35%	0.348	S	S	.	.	H	α-helix	trans	-68.7	-41.3	171.4	-167.2	64	-161.6	0	0	111.3	D566 E567 L568 I572 R573 V574	D566-E570 WeakPolarHBondContact O-CB 3.43Å; D566-E570 PolarHBondContact O-N 2.95Å; E567-E570 PolarHBondContact O-N 3.48Å; L568-E570 VanDerWaalsContact C-N 3.32Å; L568-E570 PolarHBondContact O-N 3Å; E570-I572 PolarHBondContact O-N 2.99Å; E570-R573 CarbonylContact O-C 3.53Å; E570-R573 PolarHBondContact O-N 3.47Å; E570-R573 IonicContact OE1-NH2 2.73Å; E570-R573 IonicContact OE2-CZ 3.96Å; E570-R573 IonicContact OE2-NH1 3.36Å; E570-R573 PolarHBondContact OE2-NH1 3.49Å; E570-R573 IonicContact OE2-NH2 3.71Å; E570-V574 HydrophobicContact CG-CG2 4.35Å; E570-V574 PolarHBondContact O-N 3.46Å; E570-V574 WeakPolarHBondContact OE1-CG2 3.37Å
571	S	95.2	Very high	90.7	Very high	8 Å²	8	79.2 Å²	79.2	6%	0.056	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-47.8	175.4	-172.9	0	0	0	0	111.4	H561 E567 L568 R573 V574 D575	H561-S571 PolarHBondContact N-OG 3.5Å; H561-S571 VanDerWaalsContact O-CB 3.23Å; H561-S571 WeakPolarHBondContact O-CB 3.35Å; H561-S571 PolarHBondContact O-OG 2.83Å; E567-S571 WeakPolarHBondContact O-CB 3.48Å; E567-S571 PolarHBondContact O-N 3.36Å; L568-S571 WeakPolarHBondContact O-CB 3.49Å; L568-S571 PolarHBondContact O-N 3.16Å; S571-R573 PolarHBondContact O-N 2.65Å; S571-V574 PolarHBondContact O-N 2.86Å; S571-D575 WeakPolarHBondContact CA-OD2 3.48Å; S571-D575 VanDerWaalsContact CB-OD2 3.29Å; S571-D575 WeakPolarHBondContact CB-OD2 3.21Å; S571-D575 WeakPolarHBondContact O-CB 3.47Å; S571-D575 PolarHBondContact O-N 3.47Å; S571-D575 PolarHBondContact OG-OD2 2.92Å
572	I	94.9	Very high	90.9	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-54.5	-42.9	173.4	-71	167.4	0	0	0	110.9	P529 L532 W544 F560 L568 F569 E570 R597	P529-I572 HydrophobicContact CG-CG2 4.01Å; L532-I572 HydrophobicContact CD1-CB 3.91Å; L532-I572 HydrophobicContact CD1-CD1 4.25Å; L532-I572 HydrophobicContact CD1-CG2 3.58Å; W544-I572 HydrophobicContact CZ2-CG2 3.88Å; F560-I572 HydrophobicContact CB-CG1 3.8Å; F560-I572 HydrophobicContact CD1-CG1 4.49Å; F560-I572 HydrophobicContact CD2-CB 4.5Å; F560-I572 HydrophobicContact CD2-CG1 3.7Å; F560-I572 HydrophobicContact CE2-CG1 4.45Å; F560-I572 HydrophobicContact CG-CB 4.42Å; F560-I572 HydrophobicContact CG-CG1 3.74Å; L568-I572 HydrophobicContact CD1-CD1 4.35Å; L568-I572 HydrophobicContact CG-CD1 4.16Å; L568-I572 WeakPolarHBondContact O-CG1 3.49Å; L568-I572 PolarHBondContact O-N 3.42Å; F569-I572 HydrophobicContact CD1-CD1 4.29Å; E570-I572 PolarHBondContact O-N 2.99Å; I572-R597 PolarHBondContact O-NE 2.78Å; I572-R597 PolarHBondContact O-NH2 3.44Å
573	R	93.1	Very high	91.4	Very high	83 Å²	83	81 Å²	81	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-74.3	-28.2	-176.9	-75.9	174.4	56.8	-128.6	-23.2	114.2	L532 F569 E570 S571 R597	L532-R573 HydrophobicContact CD1-CG 4.17Å; F569-R573 WeakPolarHBondContact O-CB 3.26Å; F569-R573 VanDerWaalsContact O-CG 3.24Å; F569-R573 WeakPolarHBondContact O-CG 3.2Å; F569-R573 PolarHBondContact O-N 3.22Å; F569-R573 VanDerWaalsContact O-N 3.17Å; E570-R573 CarbonylContact O-C 3.53Å; E570-R573 PolarHBondContact O-N 3.47Å; E570-R573 IonicContact OE1-NH2 2.73Å; E570-R573 IonicContact OE2-CZ 3.96Å; E570-R573 IonicContact OE2-NH1 3.36Å; E570-R573 PolarHBondContact OE2-NH1 3.49Å; E570-R573 IonicContact OE2-NH2 3.71Å; S571-R573 PolarHBondContact O-N 2.65Å; R573-R597 WeakPolarHBondContact O-CD 3.46Å; R573-R597 PolarHBondContact O-NE 3.18Å
574	V	93.7	Very high	92.2	Very high	82 Å²	82	76.1 Å²	76.1	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-124.5	-39.7	-166.9	-175.7	0	0	0	0	113.8	E570 S571 R597	E570-V574 HydrophobicContact CG-CG2 4.35Å; E570-V574 PolarHBondContact O-N 3.46Å; E570-V574 WeakPolarHBondContact OE1-CG2 3.37Å; S571-V574 PolarHBondContact O-N 2.86Å; V574-R597 VanDerWaalsContact C-NH2 3.34Å
575	D	96.4	Very high	93	Very high	83 Å²	83	80.8 Å²	80.8	44%	0.444	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-76.2	145.4	-167.1	-67.4	-19.8	0	0	0	112.9	S571 R597	S571-D575 WeakPolarHBondContact CA-OD2 3.48Å; S571-D575 VanDerWaalsContact CB-OD2 3.29Å; S571-D575 WeakPolarHBondContact CB-OD2 3.21Å; S571-D575 WeakPolarHBondContact O-CB 3.47Å; S571-D575 PolarHBondContact O-N 3.47Å; S571-D575 PolarHBondContact OG-OD2 2.92Å; D575-R597 PolarHBondContact O-NH2 2.92Å
576	T	95.6	Very high	93.9	Very high	114 Å²	114	77.1 Å²	77.1	70%	0.699	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-89.2	126.5	171.1	-57.7	0	0	0	0	108.9
577	P	96.5	Very high	94.7	Very high	10 Å²	10	71.6 Å²	71.6	7%	0.065	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-55.4	143	178.9	-26.7	34.9	0	0	0	112.3	Y551 P559 F560 Y579 F595	Y551-P577 HydrophobicContact CE2-CB 3.95Å; P559-P577 HydrophobicContact CB-CB 4.09Å; P559-P577 HydrophobicContact CB-CG 4.26Å; F560-P577 HydrophobicContact CE1-CG 3.8Å; F560-P577 HydrophobicContact CZ-CG 3.76Å; P577-Y579 HydrophobicContact CB-CE1 4.47Å; P577-Y579 HydrophobicContact CB-CE2 4.3Å; P577-Y579 WeakPolarHBondContact O-CD2 3.37Å; P577-Y579 VanDerWaalsContact O-CE2 3.28Å; P577-Y579 WeakPolarHBondContact O-CE2 3.34Å; P577-F595 HydrophobicContact CB-CD2 4.38Å; P577-F595 HydrophobicContact CB-CE2 4.4Å; P577-F595 HydrophobicContact CG-CD2 3.73Å; P577-F595 HydrophobicContact CG-CE2 4.08Å; P577-F595 HydrophobicContact CG-CG 4.18Å
578	H	96.4	Very high	95.1	Very high	125 Å²	125	71 Å²	71	58%	0.579	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-84	123.5	178.7	178.3	73.8	0	0	0	111.2	Y551 P580	Y551-H578 WeakPolarHBondContact CE2-O 3.38Å; Y551-H578 PolarHBondContact OH-O 2.68Å; H578-P580 WeakPolarHBondContact O-CD 3.5Å
579	Y	96.8	Very high	95.5	Very high	35 Å²	35	72.9 Å²	72.9	14%	0.137	34%	0.338	C	S	.	.			trans	-106.5	111.9	176.2	-55.3	-78.3	0	0	0	111.1	Y551 P577 K588 L591 E592	Y551-Y579 HydrophobicContact CD2-CE1 4.22Å; Y551-Y579 HydrophobicContact CE2-CD1 4.29Å; Y551-Y579 HydrophobicContact CE2-CE1 4.16Å; P577-Y579 HydrophobicContact CB-CE1 4.47Å; P577-Y579 HydrophobicContact CB-CE2 4.3Å; P577-Y579 WeakPolarHBondContact O-CD2 3.37Å; P577-Y579 VanDerWaalsContact O-CE2 3.28Å; P577-Y579 WeakPolarHBondContact O-CE2 3.34Å; Y579-K588 HydrophobicContact CD1-CG 4.2Å; Y579-K588 HydrophobicContact CD2-CD 4.3Å; Y579-K588 HydrophobicContact CD2-CG 4.22Å; Y579-K588 HydrophobicContact CG-CD 4.2Å; Y579-K588 HydrophobicContact CG-CG 4Å; Y579-L591 HydrophobicContact CD1-CD1 4.34Å; Y579-L591 HydrophobicContact CE1-CB 3.73Å; Y579-L591 HydrophobicContact CE1-CD1 3.93Å; Y579-L591 HydrophobicContact CE1-CG 4.47Å; Y579-E592 HydrophobicContact CE2-CG 3.89Å
580	P	95.6	Very high	95.9	Very high	11 Å²	11	71.3 Å²	71.3	7%	0.071	33%	0.331	C	S	.	.			trans	-65	156.6	176.5	-23.6	34.3	0	0	0	113.2	I555 H578 W582 I583	I555-P580 HydrophobicContact CG2-CG 4.04Å; H578-P580 WeakPolarHBondContact O-CD 3.5Å; P580-W582 HydrophobicContact CB-CD2 3.55Å; P580-W582 HydrophobicContact CB-CE3 3.78Å; P580-W582 HydrophobicContact CB-CG 4.31Å; P580-W582 HydrophobicContact CB-CH2 3.49Å; P580-W582 VanDerWaalsContact CB-CH2 3.49Å; P580-W582 HydrophobicContact CB-CZ2 3.21Å; P580-W582 HydrophobicContact CB-CZ3 3.74Å; P580-W582 HydrophobicContact CG-CH2 3.92Å; P580-W582 HydrophobicContact CG-CZ2 3.4Å; P580-W582 VanDerWaalsContact CG-CZ2 3.4Å; P580-W582 PolarHBondContact O-N 2.97Å; P580-W582 VanDerWaalsContact O-N 3.09Å; P580-I583 WeakPolarHBondContact O-CB 3.43Å; P580-I583 PolarHBondContact O-N 3.31Å
581	R	93.8	Very high	96.2	Very high	255 Å²	255	67.2 Å²	67.2	96%	0.962	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.8	-175.4	-66.5	-176.8	-179.4	177	0.4	115.1	I583	R581-I583 VanDerWaalsContact C-N 3.32Å
582	W	93.1	Very high	96.3	Very high	155 Å²	155	71 Å²	71	59%	0.587	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.7	179.1	57.3	73	0	0	0	113.4	R456 P580	R456-W582 VanDerWaalsContact NH1-CE2 3.31Å; P580-W582 HydrophobicContact CB-CD2 3.55Å; P580-W582 HydrophobicContact CB-CE3 3.78Å; P580-W582 HydrophobicContact CB-CG 4.31Å; P580-W582 HydrophobicContact CB-CH2 3.49Å; P580-W582 VanDerWaalsContact CB-CH2 3.49Å; P580-W582 HydrophobicContact CB-CZ2 3.21Å; P580-W582 HydrophobicContact CB-CZ3 3.74Å; P580-W582 HydrophobicContact CG-CH2 3.92Å; P580-W582 HydrophobicContact CG-CZ2 3.4Å; P580-W582 VanDerWaalsContact CG-CZ2 3.4Å; P580-W582 PolarHBondContact O-N 2.97Å; P580-W582 VanDerWaalsContact O-N 3.09Å
583	I	96.8	Very high	96.5	Very high	25 Å²	25	76.9 Å²	76.9	13%	0.128	35%	0.351	C	S	.	.	S	Bend	trans	-73.7	127.7	175	-61.6	-60.9	0	0	0	108.7	L554 I555 P580 R581 A587 K588	L554-I583 HydrophobicContact CB-CD1 4Å; I555-I583 HydrophobicContact CD1-CD1 4.35Å; I555-I583 HydrophobicContact CD1-CG1 4.24Å; I555-I583 HydrophobicContact CG1-CD1 3.72Å; I555-I583 HydrophobicContact CG1-CG1 4.02Å; P580-I583 WeakPolarHBondContact O-CB 3.43Å; P580-I583 PolarHBondContact O-N 3.31Å; R581-I583 VanDerWaalsContact C-N 3.32Å; I583-A587 HydrophobicContact CG2-CB 3.99Å; I583-K588 HydrophobicContact CG2-CB 4.18Å
584	N	95.1	Very high	96.8	Very high	58 Å²	58	72.9 Å²	72.9	31%	0.31	34%	0.336	S	S	.	.			trans	-73.1	163.6	-178.8	74.9	0	0	0	0	111.4	L459 D586 A587 K588	L459-N584 WeakPolarHBondContact CD2-ND2 3.2Å; N584-D586 VanDerWaalsContact C-N 3.33Å; N584-D586 PolarHBondContact O-N 3.38Å; N584-A587 PolarHBondContact O-N 3.15Å; N584-A587 WeakPolarHBondContact OD1-CA 3.42Å; N584-A587 WeakPolarHBondContact OD1-CB 3.34Å; N584-A587 PolarHBondContact OD1-N 3.31Å; N584-K588 WeakPolarHBondContact O-CB 3.18Å; N584-K588 PolarHBondContact O-N 3.36Å
585	K	97.4	Very high	97	Very high	185 Å²	185	69.6 Å²	69.6	80%	0.804	32%	0.315	S	S	*	.	H	α-helix	trans	-61.1	-41.2	-176.8	-63.5	-179.2	-178.7	178.7	0	112.3	K588 D589	K585-K588 PolarHBondContact O-N 2.89Å; K585-D589 WeakPolarHBondContact O-CB 3.24Å; K585-D589 PolarHBondContact O-N 3.32Å
586	D	97.9	Very high	97.1	Very high	43 Å²	43	68.2 Å²	68.2	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-40.5	-177.9	-63	-16.8	0	0	0	111.9	N584 L590 H612 F614 K616	N584-D586 VanDerWaalsContact C-N 3.33Å; N584-D586 PolarHBondContact O-N 3.38Å; D586-L590 PolarHBondContact O-N 2.71Å; D586-L590 VanDerWaalsContact O-N 3.14Å; D586-H612 PolarHBondContact O-CE1 3.26Å; D586-H612 VanDerWaalsContact O-CE1 3.27Å; D586-F614 HydrophobicContact CB-CB 4.48Å; D586-K616 IonicContact OD2-NZ 3.75Å; D586-K616 PolarHBondContact OD2-NZ 3.15Å
587	A	98.1	Very high	97.1	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-40.3	176.7	0	0	0	0	0	111.8	L554 I583 N584 L590 L591 F614	L554-A587 HydrophobicContact CD1-CB 3.84Å; I583-A587 HydrophobicContact CG2-CB 3.99Å; N584-A587 PolarHBondContact O-N 3.15Å; N584-A587 WeakPolarHBondContact OD1-CA 3.42Å; N584-A587 WeakPolarHBondContact OD1-CB 3.34Å; N584-A587 PolarHBondContact OD1-N 3.31Å; A587-L590 PolarHBondContact O-N 3.08Å; A587-L591 WeakPolarHBondContact O-CG 3.49Å; A587-L591 PolarHBondContact O-N 3Å; A587-F614 HydrophobicContact CB-CD2 3.77Å; A587-F614 HydrophobicContact CB-CE2 3.69Å
588	K	98.3	Very high	97.1	Very high	84 Å²	84	68.8 Å²	68.8	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-48.6	175.8	-176.8	178.8	169.5	-176.4	0	111.4	Y579 I583 N584 K585 L590 L591 E592	Y579-K588 HydrophobicContact CD1-CG 4.2Å; Y579-K588 HydrophobicContact CD2-CD 4.3Å; Y579-K588 HydrophobicContact CD2-CG 4.22Å; Y579-K588 HydrophobicContact CG-CD 4.2Å; Y579-K588 HydrophobicContact CG-CG 4Å; I583-K588 HydrophobicContact CG2-CB 4.18Å; N584-K588 WeakPolarHBondContact O-CB 3.18Å; N584-K588 PolarHBondContact O-N 3.36Å; K585-K588 PolarHBondContact O-N 2.89Å; K588-L590 VanDerWaalsContact C-N 3.3Å; K588-L590 PolarHBondContact O-N 2.8Å; K588-L591 PolarHBondContact O-N 3.41Å; K588-E592 VanDerWaalsContact CE-CD 3.44Å; K588-E592 WeakPolarHBondContact CE-OE1 3.27Å; K588-E592 HydrophobicContact CG-CG 4.36Å; K588-E592 IonicContact NZ-OE1 3.95Å; K588-E592 PolarHBondContact NZ-OE1 2.96Å; K588-E592 WeakPolarHBondContact O-CG 3.06Å; K588-E592 PolarHBondContact O-N 3.49Å
589	D	98.4	Very high	97.1	Very high	54 Å²	54	64.2 Å²	64.2	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-40.5	177.7	-176.1	49.4	0	0	0	111.4	K585 R593 H612	K585-D589 WeakPolarHBondContact O-CB 3.24Å; K585-D589 PolarHBondContact O-N 3.32Å; D589-R593 VanDerWaalsContact CG-NE 3.33Å; D589-R593 VanDerWaalsContact O-CG 3.23Å; D589-R593 WeakPolarHBondContact O-CG 3.37Å; D589-R593 PolarHBondContact O-N 3.04Å; D589-R593 VanDerWaalsContact O-N 3.15Å; D589-R593 IonicContact OD1-CZ 2.86Å; D589-R593 IonicContact OD1-NE 3.77Å; D589-R593 PolarHBondContact OD1-NE 2.77Å; D589-R593 IonicContact OD1-NH2 3.98Å; D589-R593 PolarHBondContact OD1-NH2 2.76Å; D589-R593 IonicContact OD2-CZ 3.54Å; D589-R593 IonicContact OD2-NE 3.18Å; D589-R593 PolarHBondContact OD2-NE 2.87Å; D589-R593 VanDerWaalsContact OD2-NE 3.13Å; D589-R593 IonicContact OD2-NH2 3.28Å; D589-R593 PolarHBondContact OD2-NH2 2.94Å; D589-H612 IonicContact OD2-CE1 3.52Å; D589-H612 IonicContact OD2-NE2 3.78Å; D589-H612 PolarHBondContact OD2-NE2 2.87Å; D589-H612 VanDerWaalsContact OD2-NE2 3.12Å
590	L	98.6	Very high	97	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-50	175.7	-179.2	54.4	0	0	0	111.4	L550 D586 A587 K588 R593 L594 L603 H612 F614 F615	L550-L590 HydrophobicContact CD2-CD2 3.55Å; L550-L590 HydrophobicContact CD2-CG 4.06Å; D586-L590 PolarHBondContact O-N 2.71Å; D586-L590 VanDerWaalsContact O-N 3.14Å; A587-L590 PolarHBondContact O-N 3.08Å; K588-L590 VanDerWaalsContact C-N 3.3Å; K588-L590 PolarHBondContact O-N 2.8Å; L590-R593 PolarHBondContact O-N 3.39Å; L590-L594 HydrophobicContact CD1-CD1 3.93Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CG-CD1 3.89Å; L590-L594 WeakPolarHBondContact O-CG 3.26Å; L590-L594 PolarHBondContact O-N 2.94Å; L590-L603 HydrophobicContact CD1-CD2 3.42Å; L590-L603 VanDerWaalsContact CD1-CD2 3.42Å; L590-H612 VanDerWaalsContact CB-CE1 3.46Å; L590-H612 WeakPolarHBondContact CB-CE1 3.04Å; L590-H612 HydrophobicContact CD1-CB 4.38Å; L590-H612 PolarHBondContact N-CE1 3.11Å; L590-H612 VanDerWaalsContact N-CE1 3.35Å; L590-F614 HydrophobicContact CB-CB 4.28Å; L590-F614 HydrophobicContact CD2-CB 3.73Å; L590-F614 HydrophobicContact CD2-CD1 3.34Å; L590-F614 HydrophobicContact CD2-CD2 4.31Å; L590-F614 HydrophobicContact CD2-CE1 3.96Å; L590-F614 HydrophobicContact CD2-CG 3.54Å; L590-F615 HydrophobicContact CD2-CE2 3.8Å; L590-F615 HydrophobicContact CD2-CZ 4.05Å
591	L	98.6	Very high	97.1	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-42.5	-178.4	-72.3	165.3	0	0	0	112.1	G547 L550 Y551 L554 Y579 A587 K588 R593 L594 F595	G547-L591 VanDerWaalsContact O-CD2 3.31Å; G547-L591 WeakPolarHBondContact O-CD2 2.88Å; L550-L591 HydrophobicContact CB-CD2 4.2Å; L550-L591 HydrophobicContact CD2-CD2 4.06Å; L550-L591 HydrophobicContact CD2-CG 4.39Å; L550-L591 HydrophobicContact CG-CD2 3.97Å; Y551-L591 HydrophobicContact CD2-CD1 4.24Å; L554-L591 HydrophobicContact CD1-CD1 4.21Å; Y579-L591 HydrophobicContact CD1-CD1 4.34Å; Y579-L591 HydrophobicContact CE1-CB 3.73Å; Y579-L591 HydrophobicContact CE1-CD1 3.93Å; Y579-L591 HydrophobicContact CE1-CG 4.47Å; A587-L591 WeakPolarHBondContact O-CG 3.49Å; A587-L591 PolarHBondContact O-N 3Å; K588-L591 PolarHBondContact O-N 3.41Å; L591-R593 VanDerWaalsContact C-N 3.27Å; L591-R593 PolarHBondContact O-N 3.3Å; L591-L594 PolarHBondContact O-N 2.8Å; L591-F595 HydrophobicContact CB-CD2 4.28Å; L591-F595 HydrophobicContact CB-CE2 4.18Å; L591-F595 HydrophobicContact CD2-CE2 3.91Å; L591-F595 HydrophobicContact CD2-CZ 4.33Å; L591-F595 WeakPolarHBondContact O-CB 3.26Å; L591-F595 WeakPolarHBondContact O-CD2 3.5Å; L591-F595 WeakPolarHBondContact O-CG 3.41Å; L591-F595 PolarHBondContact O-N 2.83Å
592	E	98.1	Very high	97.2	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-36.8	177.1	-73.8	177.9	152.3	0	0	111.8	Y579 K588 E596	Y579-E592 HydrophobicContact CE2-CG 3.89Å; K588-E592 VanDerWaalsContact CE-CD 3.44Å; K588-E592 WeakPolarHBondContact CE-OE1 3.27Å; K588-E592 HydrophobicContact CG-CG 4.36Å; K588-E592 IonicContact NZ-OE1 3.95Å; K588-E592 PolarHBondContact NZ-OE1 2.96Å; K588-E592 WeakPolarHBondContact O-CG 3.06Å; K588-E592 PolarHBondContact O-N 3.49Å; E592-E596 PolarHBondContact O-N 2.83Å
593	R	98.3	Very high	97.4	Very high	124 Å²	124	54.4 Å²	54.4	47%	0.468	25%	0.253	S	S	.	.	H	α-helix	trans	-76	-25.7	177	-66.8	172.5	-174.3	-131.7	13.9	114.1	D589 L590 L591 L603	D589-R593 VanDerWaalsContact CG-NE 3.33Å; D589-R593 VanDerWaalsContact O-CG 3.23Å; D589-R593 WeakPolarHBondContact O-CG 3.37Å; D589-R593 PolarHBondContact O-N 3.04Å; D589-R593 VanDerWaalsContact O-N 3.15Å; D589-R593 IonicContact OD1-CZ 2.86Å; D589-R593 IonicContact OD1-NE 3.77Å; D589-R593 PolarHBondContact OD1-NE 2.77Å; D589-R593 IonicContact OD1-NH2 3.98Å; D589-R593 PolarHBondContact OD1-NH2 2.76Å; D589-R593 IonicContact OD2-CZ 3.54Å; D589-R593 IonicContact OD2-NE 3.18Å; D589-R593 PolarHBondContact OD2-NE 2.87Å; D589-R593 VanDerWaalsContact OD2-NE 3.13Å; D589-R593 IonicContact OD2-NH2 3.28Å; D589-R593 PolarHBondContact OD2-NH2 2.94Å; L590-R593 PolarHBondContact O-N 3.39Å; L591-R593 VanDerWaalsContact C-N 3.27Å; L591-R593 PolarHBondContact O-N 3.3Å; R593-L603 HydrophobicContact CB-CB 3.83Å; R593-L603 HydrophobicContact CB-CD2 4.12Å; R593-L603 PolarHBondContact O-N 3.37Å; R593-L603 VanDerWaalsContact O-N 3.1Å
594	L	98.4	Very high	97.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-79.6	-36.5	173.2	-69.4	167.5	0	0	0	111.4	W543 F546 L590 L591 E596 R602 L603 L609	W543-L594 HydrophobicContact CB-CD2 4.33Å; F546-L594 HydrophobicContact CD1-CD1 3.67Å; F546-L594 HydrophobicContact CD1-CD2 4.08Å; F546-L594 HydrophobicContact CE1-CD1 3.74Å; L590-L594 HydrophobicContact CD1-CD1 3.93Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CG-CD1 3.89Å; L590-L594 WeakPolarHBondContact O-CG 3.26Å; L590-L594 PolarHBondContact O-N 2.94Å; L591-L594 PolarHBondContact O-N 2.8Å; L594-E596 PolarHBondContact O-N 2.84Å; L594-R602 WeakPolarHBondContact O-CD 3.16Å; L594-R602 VanDerWaalsContact O-CG 3.32Å; L594-R602 WeakPolarHBondContact O-CG 3.34Å; L594-R602 PolarHBondContact O-NE 2.78Å; L594-L603 HydrophobicContact CD2-CB 4.43Å; L594-L609 HydrophobicContact CD2-CD2 4.28Å
595	F	98.4	Very high	97.2	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.057	26%	0.262	C	S	.	.	S	Bend	trans	-82.7	22	174.7	-61.8	-47.6	0	0	0	114	W544 G547 V548 Y551 P559 F560 P577 L591 R597	W544-F595 HydrophobicContact CD2-CD1 4.29Å; W544-F595 HydrophobicContact CE3-CD1 4.21Å; W544-F595 HydrophobicContact CH2-CB 4.42Å; W544-F595 HydrophobicContact CH2-CD1 4.12Å; W544-F595 HydrophobicContact CZ2-CD1 4.16Å; W544-F595 HydrophobicContact CZ3-CB 4.19Å; W544-F595 HydrophobicContact CZ3-CD1 4.15Å; G547-F595 WeakPolarHBondContact O-CZ 3.23Å; V548-F595 HydrophobicContact CG2-CE1 3.78Å; V548-F595 HydrophobicContact CG2-CZ 4.39Å; Y551-F595 AromaticContact CD2-CE2 3.99Å; Y551-F595 HydrophobicContact CD2-CE2 3.99Å; Y551-F595 HydrophobicContact CD2-CZ 4.47Å; Y551-F595 HydrophobicContact CG-CE2 4.47Å; P559-F595 HydrophobicContact CB-CE2 4.3Å; P559-F595 HydrophobicContact CB-CZ 3.98Å; P559-F595 HydrophobicContact CG-CE1 4.34Å; P559-F595 HydrophobicContact CG-CZ 3.9Å; F560-F595 HydrophobicContact CE2-CD1 4.33Å; F560-F595 HydrophobicContact CE2-CE1 4.2Å; F560-F595 HydrophobicContact CZ-CD1 4.31Å; P577-F595 HydrophobicContact CB-CD2 4.38Å; P577-F595 HydrophobicContact CB-CE2 4.4Å; P577-F595 HydrophobicContact CG-CD2 3.73Å; P577-F595 HydrophobicContact CG-CE2 4.08Å; P577-F595 HydrophobicContact CG-CG 4.18Å; L591-F595 HydrophobicContact CB-CD2 4.28Å; L591-F595 HydrophobicContact CB-CE2 4.18Å; L591-F595 HydrophobicContact CD2-CE2 3.91Å; L591-F595 HydrophobicContact CD2-CZ 4.33Å; L591-F595 WeakPolarHBondContact O-CB 3.26Å; L591-F595 WeakPolarHBondContact O-CD2 3.5Å; L591-F595 WeakPolarHBondContact O-CG 3.41Å; L591-F595 PolarHBondContact O-N 2.83Å; F595-R597 PolarHBondContact O-N 2.77Å
596	E	97.9	Very high	96.9	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.248	25%	0.247	C	C	.	.			trans	-67.8	119.9	165.9	176.1	55.6	-93.7	0	0	109.2	E592 L594 D598 R601 R602	E592-E596 PolarHBondContact O-N 2.83Å; L594-E596 PolarHBondContact O-N 2.84Å; E596-D598 VanDerWaalsContact C-N 3.34Å; E596-D598 HydrophobicContact CG-CB 4.49Å; E596-D598 WeakPolarHBondContact CG-O 3.5Å; E596-D598 PolarHBondContact OE1-N 3.4Å; E596-D598 VanDerWaalsContact OE1-N 3.15Å; E596-R601 HydrophobicContact CG-CB 3.7Å; E596-R601 IonicContact OE2-CZ 3.29Å; E596-R601 IonicContact OE2-NE 2.86Å; E596-R601 IonicContact OE2-NH2 3Å; E596-R602 HydrophobicContact CB-CB 4.26Å; E596-R602 HydrophobicContact CB-CG 4.45Å; E596-R602 VanDerWaalsContact O-CZ 3.29Å; E596-R602 PolarHBondContact O-NE 2.8Å; E596-R602 PolarHBondContact O-NH2 3.33Å
597	R	96.5	Very high	96.5	Very high	74 Å²	74	51 Å²	51	28%	0.279	27%	0.265	S	S	.	.	S	Bend	trans	-75	-28.2	-174	-70.3	179.3	165.4	84.5	4.9	112.2	P529 W544 I572 R573 V574 D575 F595 P599	P529-R597 HydrophobicContact CG-CG 4.21Å; W544-R597 HydrophobicContact CH2-CG 4.43Å; W544-R597 HydrophobicContact CZ3-CG 4.32Å; I572-R597 PolarHBondContact O-NE 2.78Å; I572-R597 PolarHBondContact O-NH2 3.44Å; R573-R597 WeakPolarHBondContact O-CD 3.46Å; R573-R597 PolarHBondContact O-NE 3.18Å; V574-R597 VanDerWaalsContact C-NH2 3.34Å; D575-R597 PolarHBondContact O-NH2 2.92Å; F595-R597 PolarHBondContact O-N 2.77Å; R597-P599 WeakPolarHBondContact O-CD 3.5Å
598	D	96.6	Very high	96.2	Very high	63 Å²	63	53.4 Å²	53.4	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-76.8	107.8	170.1	-177.5	-10.4	0	0	0	109.6	E596 S600 R601 R602	E596-D598 VanDerWaalsContact C-N 3.34Å; E596-D598 HydrophobicContact CG-CB 4.49Å; E596-D598 WeakPolarHBondContact CG-O 3.5Å; E596-D598 PolarHBondContact OE1-N 3.4Å; E596-D598 VanDerWaalsContact OE1-N 3.15Å; D598-S600 PolarHBondContact O-N 3.01Å; D598-S600 WeakPolarHBondContact OD1-CB 3.16Å; D598-S600 PolarHBondContact OD1-N 3.34Å; D598-S600 PolarHBondContact OD1-OG 3.36Å; D598-S600 PolarHBondContact OD2-OG 3.04Å; D598-R601 HydrophobicContact CB-CB 4.33Å; D598-R601 HydrophobicContact CB-CG 4.39Å; D598-R601 PolarHBondContact O-N 3.01Å; D598-R601 WeakPolarHBondContact OD2-CD 3.42Å; D598-R602 PolarHBondContact O-N 3.16Å
599	P	96.1	Very high	96	Very high	29 Å²	29	49.4 Å²	49.4	19%	0.188	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.4	-177.1	26.2	-35.2	0	0	0	112.9	E530 S540 R597 R601 I605	E530-P599 HydrophobicContact CB-CG 4.39Å; S540-P599 WeakPolarHBondContact OG-CB 3.38Å; R597-P599 WeakPolarHBondContact O-CD 3.5Å; P599-R601 VanDerWaalsContact C-N 3.27Å; P599-R601 PolarHBondContact O-N 3.16Å; P599-I605 WeakPolarHBondContact O-CG1 3.18Å
600	S	95.1	Very high	95.8	Very high	73 Å²	73	50.1 Å²	50.1	51%	0.51	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.9	178.3	73.8	0	0	0	0	113.8	D598 V606	D598-S600 PolarHBondContact O-N 3.01Å; D598-S600 WeakPolarHBondContact OD1-CB 3.16Å; D598-S600 PolarHBondContact OD1-N 3.34Å; D598-S600 PolarHBondContact OD1-OG 3.36Å; D598-S600 PolarHBondContact OD2-OG 3.04Å; S600-V606 WeakPolarHBondContact O-CG2 3.31Å
601	R	96.9	Very high	95.7	Very high	162 Å²	162	54.7 Å²	54.7	61%	0.611	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-9.8	179.7	-66.2	176.5	59.6	-163.6	-9.4	113.1	E596 D598 P599	E596-R601 HydrophobicContact CG-CB 3.7Å; E596-R601 IonicContact OE2-CZ 3.29Å; E596-R601 IonicContact OE2-NE 2.86Å; E596-R601 IonicContact OE2-NH2 3Å; D598-R601 HydrophobicContact CB-CB 4.33Å; D598-R601 HydrophobicContact CB-CG 4.39Å; D598-R601 PolarHBondContact O-N 3.01Å; D598-R601 WeakPolarHBondContact OD2-CD 3.42Å; P599-R601 VanDerWaalsContact C-N 3.27Å; P599-R601 PolarHBondContact O-N 3.16Å
602	R	97.8	Very high	95.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-64.4	138.4	-177.7	-166.6	177	-62.8	147.3	5.2	111.9	E530 S540 L594 E596 D598 G604 I605 V606	E530-R602 IonicContact OE1-CZ 3.88Å; E530-R602 IonicContact OE1-NH1 2.7Å; E530-R602 PolarHBondContact OE1-NH1 2.76Å; E530-R602 IonicContact OE1-NH2 2.68Å; E530-R602 IonicContact OE2-CZ 3.65Å; E530-R602 IonicContact OE2-NH1 3.13Å; E530-R602 PolarHBondContact OE2-NH1 2.83Å; E530-R602 IonicContact OE2-NH2 3.46Å; E530-R602 PolarHBondContact OE2-NH2 2.88Å; S540-R602 PolarHBondContact O-NH1 3.29Å; L594-R602 WeakPolarHBondContact O-CD 3.16Å; L594-R602 VanDerWaalsContact O-CG 3.32Å; L594-R602 WeakPolarHBondContact O-CG 3.34Å; L594-R602 PolarHBondContact O-NE 2.78Å; E596-R602 HydrophobicContact CB-CB 4.26Å; E596-R602 HydrophobicContact CB-CG 4.45Å; E596-R602 VanDerWaalsContact O-CZ 3.29Å; E596-R602 PolarHBondContact O-NE 2.8Å; E596-R602 PolarHBondContact O-NH2 3.33Å; D598-R602 PolarHBondContact O-N 3.16Å; R602-G604 PolarHBondContact O-N 3.43Å; R602-I605 WeakPolarHBondContact O-CB 3.38Å; R602-I605 PolarHBondContact O-N 3.2Å; R602-I605 VanDerWaalsContact O-N 3.1Å; R602-V606 PolarHBondContact O-N 3.23Å
603	L	97.1	Very high	95.6	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-60.2	136.3	174.4	-178.9	68.8	0	0	0	110.5	L590 R593 L594 I605 L609	L590-L603 HydrophobicContact CD1-CD2 3.42Å; L590-L603 VanDerWaalsContact CD1-CD2 3.42Å; R593-L603 HydrophobicContact CB-CB 3.83Å; R593-L603 HydrophobicContact CB-CD2 4.12Å; R593-L603 PolarHBondContact O-N 3.37Å; R593-L603 VanDerWaalsContact O-N 3.1Å; L594-L603 HydrophobicContact CD2-CB 4.43Å; L603-I605 VanDerWaalsContact C-N 3.33Å; L603-L609 HydrophobicContact CD2-CG 4.25Å; L603-L609 HydrophobicContact CG-CD1 4.04Å; L603-L609 HydrophobicContact CG-CG 4.15Å
604	G	93.1	Very high	95.6	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-24.9	-172.4	0	0	0	0	0	113.5	R602	R602-G604 PolarHBondContact O-N 3.43Å
605	I	94.3	Very high	95.6	Very high	77 Å²	77	49 Å²	49	40%	0.395	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-46.7	160	-56.4	-54.7	0	0	0	109.3	F539 P599 R602 L603	F539-I605 HydrophobicContact CB-CD1 4.43Å; P599-I605 WeakPolarHBondContact O-CG1 3.18Å; R602-I605 WeakPolarHBondContact O-CB 3.38Å; R602-I605 PolarHBondContact O-N 3.2Å; R602-I605 VanDerWaalsContact O-N 3.1Å; L603-I605 VanDerWaalsContact C-N 3.33Å
606	V	91.1	Very high	95.5	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.485	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-103.5	119.9	173.1	-171.3	0	0	0	0	109.4	S600 R602	S600-V606 WeakPolarHBondContact O-CG2 3.31Å; R602-V606 PolarHBondContact O-N 3.23Å
607	G	89.9	Confident	95.3	Very high	59 Å²	59	57.5 Å²	57.5	61%	0.608	33%	0.331	S	S	*	.	S	Bend	trans	71.2	176.7	-177.6	0	0	0	0	0	113.6
608	S	91.7	Very high	95.4	Very high	52 Å²	52	55.1 Å²	55.1	36%	0.364	32%	0.324	S	S	.	.			trans	-105	128.1	-176.7	177.6	0	0	0	0	111.4	Q610 S611	S608-Q610 PolarHBondContact O-N 2.71Å; S608-Q610 PolarHBondContact OG-N 2.65Å; S608-S611 PolarHBondContact O-N 3.11Å; S608-S611 PolarHBondContact O-OG 3.19Å
609	L	93.9	Very high	95.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.4	171.7	-85.5	80.3	0	0	0	111.5	V470 W543 F546 L594 L603 S611 H612 F615	V470-L609 HydrophobicContact CG1-CB 4.47Å; V470-L609 HydrophobicContact CG2-CD2 3.83Å; W543-L609 HydrophobicContact CD2-CD1 4.13Å; W543-L609 HydrophobicContact CD2-CD2 4.45Å; W543-L609 HydrophobicContact CE3-CD1 4.08Å; W543-L609 HydrophobicContact CE3-CD2 3.61Å; W543-L609 HydrophobicContact CH2-CD1 4.47Å; W543-L609 HydrophobicContact CH2-CD2 4.31Å; W543-L609 HydrophobicContact CZ2-CD1 4.48Å; W543-L609 HydrophobicContact CZ3-CD1 4.28Å; W543-L609 HydrophobicContact CZ3-CD2 3.55Å; F546-L609 HydrophobicContact CD1-CD2 3.92Å; F546-L609 HydrophobicContact CE1-CD2 3.57Å; F546-L609 HydrophobicContact CZ-CD2 4.34Å; L594-L609 HydrophobicContact CD2-CD2 4.28Å; L603-L609 HydrophobicContact CD2-CG 4.25Å; L603-L609 HydrophobicContact CG-CD1 4.04Å; L603-L609 HydrophobicContact CG-CG 4.15Å; L609-S611 PolarHBondContact O-N 3.18Å; L609-S611 VanDerWaalsContact O-N 3.11Å; L609-H612 VanDerWaalsContact O-CB 3.26Å; L609-H612 WeakPolarHBondContact O-CB 3.5Å; L609-H612 PolarHBondContact O-N 3.46Å; L609-F615 VanDerWaalsContact O-CD2 3.26Å; L609-F615 WeakPolarHBondContact O-CD2 3.46Å
610	Q	94.3	Very high	95.4	Very high	69 Å²	69	57 Å²	57	32%	0.322	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22.7	-176.3	-61.5	-172.1	6	0	0	113.7	S608 W620	S608-Q610 PolarHBondContact O-N 2.71Å; S608-Q610 PolarHBondContact OG-N 2.65Å; Q610-W620 VanDerWaalsContact CA-CZ2 3.41Å; Q610-W620 HydrophobicContact CB-CD2 4Å; Q610-W620 HydrophobicContact CB-CG 4.42Å; Q610-W620 HydrophobicContact CB-CH2 4.36Å; Q610-W620 HydrophobicContact CB-CZ2 3.73Å; Q610-W620 HydrophobicContact CG-CD2 3.69Å; Q610-W620 HydrophobicContact CG-CE3 3.82Å; Q610-W620 HydrophobicContact CG-CG 4.36Å; Q610-W620 HydrophobicContact CG-CH2 3.87Å; Q610-W620 HydrophobicContact CG-CZ2 3.74Å; Q610-W620 HydrophobicContact CG-CZ3 3.9Å; Q610-W620 PolarHBondContact O-NE1 3.4Å
611	S	95.1	Very high	95.4	Very high	96 Å²	96	60.2 Å²	60.2	67%	0.671	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-87.9	-6.9	-179.9	69.7	0	0	0	0	113.8	S608 L609	S608-S611 PolarHBondContact O-N 3.11Å; S608-S611 PolarHBondContact O-OG 3.19Å; L609-S611 PolarHBondContact O-N 3.18Å; L609-S611 VanDerWaalsContact O-N 3.11Å
612	H	97.9	Very high	95.4	Very high	13 Å²	13	53 Å²	53	6%	0.06	31%	0.312	C	S	.	.	S	Bend	trans	-69.3	141.2	-176.8	-163.3	-88.7	0	0	0	111.7	D586 D589 L590 L609 F614 F615	D586-H612 PolarHBondContact O-CE1 3.26Å; D586-H612 VanDerWaalsContact O-CE1 3.27Å; D589-H612 IonicContact OD2-CE1 3.52Å; D589-H612 IonicContact OD2-NE2 3.78Å; D589-H612 PolarHBondContact OD2-NE2 2.87Å; D589-H612 VanDerWaalsContact OD2-NE2 3.12Å; L590-H612 VanDerWaalsContact CB-CE1 3.46Å; L590-H612 WeakPolarHBondContact CB-CE1 3.04Å; L590-H612 HydrophobicContact CD1-CB 4.38Å; L590-H612 PolarHBondContact N-CE1 3.11Å; L590-H612 VanDerWaalsContact N-CE1 3.35Å; L609-H612 VanDerWaalsContact O-CB 3.26Å; L609-H612 WeakPolarHBondContact O-CB 3.5Å; L609-H612 PolarHBondContact O-N 3.46Å; H612-F614 WeakPolarHBondContact ND1-CB 3.44Å; H612-F614 PolarHBondContact ND1-N 2.97Å; H612-F614 PolarHBondContact O-N 3.13Å; H612-F615 HydrophobicContact CB-CD2 4.22Å; H612-F615 PolarHBondContact O-N 3.12Å
613	S	97.6	Very high	95.4	Very high	64 Å²	64	53 Å²	53	45%	0.448	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.3	-22.3	-177	-57.1	0	0	0	0	114.2	F615 K616	S613-F615 PolarHBondContact O-N 3.05Å; S613-K616 WeakPolarHBondContact O-CB 3.49Å; S613-K616 WeakPolarHBondContact O-CD 3.39Å; S613-K616 VanDerWaalsContact O-CG 3.23Å; S613-K616 WeakPolarHBondContact O-CG 3.35Å; S613-K616 PolarHBondContact O-N 3.29Å
614	F	98.3	Very high	95.2	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.044	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-57.1	-36.3	171	-178.6	-99.5	0	0	0	112.5	L459 T463 L550 L554 D586 A587 L590 H612	L459-F614 HydrophobicContact CD1-CD2 4.48Å; L459-F614 HydrophobicContact CD1-CE2 3.66Å; L459-F614 HydrophobicContact CD1-CZ 4.36Å; T463-F614 HydrophobicContact CG2-CD1 4.22Å; T463-F614 HydrophobicContact CG2-CE1 3.89Å; T463-F614 HydrophobicContact CG2-CZ 4.31Å; T463-F614 VanDerWaalsContact OG1-CZ 3.29Å; T463-F614 WeakPolarHBondContact OG1-CZ 2.97Å; L550-F614 HydrophobicContact CD1-CE1 4.28Å; L550-F614 HydrophobicContact CD1-CZ 3.84Å; L550-F614 HydrophobicContact CD2-CE1 4.41Å; L550-F614 HydrophobicContact CD2-CZ 4.44Å; L554-F614 HydrophobicContact CD1-CE2 4.46Å; D586-F614 HydrophobicContact CB-CB 4.48Å; A587-F614 HydrophobicContact CB-CD2 3.77Å; A587-F614 HydrophobicContact CB-CE2 3.69Å; L590-F614 HydrophobicContact CB-CB 4.28Å; L590-F614 HydrophobicContact CD2-CB 3.73Å; L590-F614 HydrophobicContact CD2-CD1 3.34Å; L590-F614 HydrophobicContact CD2-CD2 4.31Å; L590-F614 HydrophobicContact CD2-CE1 3.96Å; L590-F614 HydrophobicContact CD2-CG 3.54Å; H612-F614 WeakPolarHBondContact ND1-CB 3.44Å; H612-F614 PolarHBondContact ND1-N 2.97Å; H612-F614 PolarHBondContact O-N 3.13Å
615	F	98.1	Very high	95.3	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-97.3	15.9	-179.3	-59.2	-72.2	0	0	0	113.7	T463 A467 V470 F546 L590 L609 H612 S613 S617 I618 W620	T463-F615 HydrophobicContact CG2-CD1 4.1Å; A467-F615 HydrophobicContact CB-CD1 4.1Å; A467-F615 HydrophobicContact CB-CE1 4.11Å; V470-F615 HydrophobicContact CG2-CZ 4.39Å; F546-F615 HydrophobicContact CZ-CZ 4.24Å; L590-F615 HydrophobicContact CD2-CE2 3.8Å; L590-F615 HydrophobicContact CD2-CZ 4.05Å; L609-F615 VanDerWaalsContact O-CD2 3.26Å; L609-F615 WeakPolarHBondContact O-CD2 3.46Å; H612-F615 HydrophobicContact CB-CD2 4.22Å; H612-F615 PolarHBondContact O-N 3.12Å; S613-F615 PolarHBondContact O-N 3.05Å; F615-S617 PolarHBondContact O-N 3.05Å; F615-I618 HydrophobicContact CB-CB 4.41Å; F615-I618 HydrophobicContact CB-CG1 4.24Å; F615-I618 HydrophobicContact CD1-CG1 4.19Å; F615-I618 WeakPolarHBondContact O-CB 3.18Å; F615-I618 PolarHBondContact O-N 3.21Å; F615-W620 HydrophobicContact CB-CH2 4.46Å; F615-W620 HydrophobicContact CB-CZ2 3.57Å; F615-W620 HydrophobicContact CD1-CH2 4.02Å; F615-W620 AromaticContact CD1-CZ2 3.96Å; F615-W620 HydrophobicContact CD1-CZ2 3.96Å; F615-W620 HydrophobicContact CD2-CH2 4.36Å; F615-W620 HydrophobicContact CD2-CZ2 4.04Å; F615-W620 HydrophobicContact CE1-CH2 4.31Å; F615-W620 HydrophobicContact CG-CH2 4.04Å; F615-W620 AromaticContact CG-CZ2 3.6Å; F615-W620 HydrophobicContact CG-CZ2 3.6Å
616	K	95.8	Very high	95.4	Very high	154 Å²	154	59.8 Å²	59.8	67%	0.67	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.2	-175.1	68.7	-169.5	172.2	-154.3	0	114.8	D586 S613	D586-K616 IonicContact OD2-NZ 3.75Å; D586-K616 PolarHBondContact OD2-NZ 3.15Å; S613-K616 WeakPolarHBondContact O-CB 3.49Å; S613-K616 WeakPolarHBondContact O-CD 3.39Å; S613-K616 VanDerWaalsContact O-CG 3.23Å; S613-K616 WeakPolarHBondContact O-CG 3.35Å; S613-K616 PolarHBondContact O-N 3.29Å
617	S	94.6	Very high	95.6	Very high	92 Å²	92	61.5 Å²	61.5	64%	0.643	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-6.6	178.2	55.2	0	0	0	0	113.7	F615	F615-S617 PolarHBondContact O-N 3.05Å
618	I	97.4	Very high	95.9	Very high	24 Å²	24	60.8 Å²	60.8	12%	0.123	32%	0.322	C	S	.	.			trans	-90.2	122.9	-174.1	-58.6	-57.6	0	0	0	110.4	T463 A467 F615 W620 L623	T463-I618 HydrophobicContact CG2-CD1 4.18Å; T463-I618 HydrophobicContact CG2-CG1 4.13Å; A467-I618 HydrophobicContact CB-CD1 4.39Å; A467-I618 HydrophobicContact CB-CG1 4.14Å; A467-I618 HydrophobicContact CB-CG2 3.99Å; F615-I618 HydrophobicContact CB-CB 4.41Å; F615-I618 HydrophobicContact CB-CG1 4.24Å; F615-I618 HydrophobicContact CD1-CG1 4.19Å; F615-I618 WeakPolarHBondContact O-CB 3.18Å; F615-I618 PolarHBondContact O-N 3.21Å; I618-W620 HydrophobicContact CG2-CD2 4.03Å; I618-W620 HydrophobicContact CG2-CE3 4.39Å; I618-W620 HydrophobicContact CG2-CG 4.33Å; I618-W620 HydrophobicContact CG2-CZ2 4.38Å; I618-W620 PolarHBondContact O-N 3.34Å; I618-L623 HydrophobicContact CG2-CB 4.5Å; I618-L623 HydrophobicContact CG2-CD2 3.96Å
619	N	96.8	Very high	96.1	Very high	92 Å²	92	66.6 Å²	66.6	49%	0.492	34%	0.343	S	S	.	.			trans	-88	98.7	163.7	-176.7	-27.2	0	0	0	109.2	Q621 A622 L623	N619-Q621 VanDerWaalsContact C-N 3.27Å; N619-Q621 PolarHBondContact O-N 3.46Å; N619-Q621 PolarHBondContact OD1-N 2.92Å; N619-Q621 VanDerWaalsContact OD1-N 3.17Å; N619-A622 HydrophobicContact CB-CB 4.03Å; N619-A622 PolarHBondContact O-N 3.22Å; N619-A622 PolarHBondContact OD1-N 3.01Å; N619-A622 VanDerWaalsContact OD1-N 3.12Å; N619-L623 WeakPolarHBondContact O-CB 3.16Å; N619-L623 PolarHBondContact O-N 3.37Å
620	W	96.4	Very high	96.3	Very high	38 Å²	38	67.4 Å²	67.4	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-34.2	-176.4	-64.1	96.3	0	0	0	114.1	A467 V470 Q610 F615 I618 L623 A624	A467-W620 HydrophobicContact CB-CH2 3.91Å; A467-W620 HydrophobicContact CB-CZ3 3.95Å; A467-W620 WeakPolarHBondContact O-CZ3 3.26Å; V470-W620 HydrophobicContact CB-CH2 4.3Å; V470-W620 HydrophobicContact CB-CZ3 4.18Å; V470-W620 HydrophobicContact CG1-CH2 4.06Å; V470-W620 HydrophobicContact CG1-CZ3 3.93Å; Q610-W620 VanDerWaalsContact CA-CZ2 3.41Å; Q610-W620 HydrophobicContact CB-CD2 4Å; Q610-W620 HydrophobicContact CB-CG 4.42Å; Q610-W620 HydrophobicContact CB-CH2 4.36Å; Q610-W620 HydrophobicContact CB-CZ2 3.73Å; Q610-W620 HydrophobicContact CG-CD2 3.69Å; Q610-W620 HydrophobicContact CG-CE3 3.82Å; Q610-W620 HydrophobicContact CG-CG 4.36Å; Q610-W620 HydrophobicContact CG-CH2 3.87Å; Q610-W620 HydrophobicContact CG-CZ2 3.74Å; Q610-W620 HydrophobicContact CG-CZ3 3.9Å; Q610-W620 PolarHBondContact O-NE1 3.4Å; F615-W620 HydrophobicContact CB-CH2 4.46Å; F615-W620 HydrophobicContact CB-CZ2 3.57Å; F615-W620 HydrophobicContact CD1-CH2 4.02Å; F615-W620 AromaticContact CD1-CZ2 3.96Å; F615-W620 HydrophobicContact CD1-CZ2 3.96Å; F615-W620 HydrophobicContact CD2-CH2 4.36Å; F615-W620 HydrophobicContact CD2-CZ2 4.04Å; F615-W620 HydrophobicContact CE1-CH2 4.31Å; F615-W620 HydrophobicContact CG-CH2 4.04Å; F615-W620 AromaticContact CG-CZ2 3.6Å; F615-W620 HydrophobicContact CG-CZ2 3.6Å; I618-W620 HydrophobicContact CG2-CD2 4.03Å; I618-W620 HydrophobicContact CG2-CE3 4.39Å; I618-W620 HydrophobicContact CG2-CG 4.33Å; I618-W620 HydrophobicContact CG2-CZ2 4.38Å; I618-W620 PolarHBondContact O-N 3.34Å; W620-L623 HydrophobicContact CE3-CD2 4.46Å; W620-A624 WeakPolarHBondContact O-CB 3.37Å; W620-A624 PolarHBondContact O-N 2.94Å
621	Q	95.9	Very high	96.4	Very high	141 Å²	141	66.6 Å²	66.6	66%	0.659	35%	0.35	S	S	*	.	H	α-helix	trans	-71.9	-43.4	179.4	-68.4	-179.6	-5.9	0	0	111.6	N619 R625	N619-Q621 VanDerWaalsContact C-N 3.27Å; N619-Q621 PolarHBondContact O-N 3.46Å; N619-Q621 PolarHBondContact OD1-N 2.92Å; N619-Q621 VanDerWaalsContact OD1-N 3.17Å; Q621-R625 PolarHBondContact O-N 2.99Å; Q621-R625 PolarHBondContact O-NH1 2.91Å
622	A	97	Very high	96.4	Very high	12 Å²	12	64.5 Å²	64.5	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-40.4	175	0	0	0	0	0	111	N619 R625 R626 E627 V628	N619-A622 HydrophobicContact CB-CB 4.03Å; N619-A622 PolarHBondContact O-N 3.22Å; N619-A622 PolarHBondContact OD1-N 3.01Å; N619-A622 VanDerWaalsContact OD1-N 3.12Å; A622-R625 CarbonylContact O-C 3.59Å; A622-R625 PolarHBondContact O-N 3.08Å; A622-R626 PolarHBondContact O-N 2.87Å; A622-E627 HydrophobicContact CB-CB 4.16Å; A622-E627 PolarHBondContact O-N 2.83Å; A622-V628 HydrophobicContact CB-CG2 3.88Å
623	L	96.6	Very high	96.4	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-49.6	176.6	-169.9	74.7	0	0	0	110.7	F421 F464 A467 E468 I618 N619 W620 R625 R626 V628	F421-L623 HydrophobicContact CZ-CG 4.32Å; F421-L623 WeakPolarHBondContact CZ-O 3.1Å; F464-L623 HydrophobicContact CD2-CD1 4.17Å; F464-L623 HydrophobicContact CE2-CD1 3.69Å; F464-L623 HydrophobicContact CZ-CD1 4.22Å; A467-L623 HydrophobicContact CB-CD2 3.42Å; A467-L623 VanDerWaalsContact CB-CD2 3.42Å; E468-L623 HydrophobicContact CG-CD1 3.88Å; E468-L623 HydrophobicContact CG-CD2 4.16Å; E468-L623 HydrophobicContact CG-CG 4.15Å; I618-L623 HydrophobicContact CG2-CB 4.5Å; I618-L623 HydrophobicContact CG2-CD2 3.96Å; N619-L623 WeakPolarHBondContact O-CB 3.16Å; N619-L623 PolarHBondContact O-N 3.37Å; W620-L623 HydrophobicContact CE3-CD2 4.46Å; L623-R625 PolarHBondContact O-N 3.46Å; L623-R625 VanDerWaalsContact O-N 3.1Å; L623-R626 WeakPolarHBondContact O-CA 3.26Å; L623-R626 PolarHBondContact O-N 2.64Å; L623-V628 HydrophobicContact CB-CG2 4.25Å; L623-V628 HydrophobicContact CD1-CB 4.1Å; L623-V628 HydrophobicContact CD1-CG2 4.28Å
624	A	93.9	Very high	96.2	Very high	51 Å²	51	67.9 Å²	67.9	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-23.6	178.6	0	0	0	0	0	114	W620	W620-A624 WeakPolarHBondContact O-CB 3.37Å; W620-A624 PolarHBondContact O-N 2.94Å
625	R	94.9	Very high	96.1	Very high	139 Å²	139	75.7 Å²	75.7	53%	0.525	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.3	174	-66.6	-169.1	-59.1	-85	-6.8	113.9	Q621 A622 L623 E627	Q621-R625 PolarHBondContact O-N 2.99Å; Q621-R625 PolarHBondContact O-NH1 2.91Å; A622-R625 CarbonylContact O-C 3.59Å; A622-R625 PolarHBondContact O-N 3.08Å; L623-R625 PolarHBondContact O-N 3.46Å; L623-R625 VanDerWaalsContact O-N 3.1Å; R625-E627 HydrophobicContact CB-CG 3.91Å; R625-E627 IonicContact CZ-OE1 3.94Å; R625-E627 IonicContact CZ-OE2 3.64Å; R625-E627 IonicContact NE-OE1 3.64Å; R625-E627 PolarHBondContact NE-OE1 3.21Å; R625-E627 IonicContact NE-OE2 2.74Å; R625-E627 PolarHBondContact NE-OE2 3.3Å; R625-E627 IonicContact NH2-OE1 3.42Å; R625-E627 IonicContact NH2-OE2 3.69Å; R625-E627 PolarHBondContact NH2-OE2 3.2Å; R625-E627 PolarHBondContact O-N 3.41Å
626	R	96.1	Very high	95.9	Very high	65 Å²	65	77.7 Å²	77.7	25%	0.245	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	35.8	-173.1	-63.9	176.2	57.9	141.5	-4.9	113.3	P420 F421 D494 E496 H498 A622 L623	P420-R626 HydrophobicContact CB-CG 4.09Å; F421-R626 HydrophobicContact CE1-CG 4.2Å; F421-R626 HydrophobicContact CZ-CG 4.46Å; D494-R626 IonicContact OD1-NH2 3.77Å; D494-R626 IonicContact OD2-CZ 3.6Å; D494-R626 IonicContact OD2-NH1 3.79Å; D494-R626 PolarHBondContact OD2-NH1 3.23Å; D494-R626 IonicContact OD2-NH2 3.57Å; D494-R626 PolarHBondContact OD2-NH2 3.49Å; E496-R626 IonicContact OE2-CZ 2.76Å; E496-R626 IonicContact OE2-NH2 2.89Å; E496-R626 PolarHBondContact OE2-NH2 3.11Å; H498-R626 PolarHBondContact CD2-NH2 3.25Å; A622-R626 PolarHBondContact O-N 2.87Å; L623-R626 WeakPolarHBondContact O-CA 3.26Å; L623-R626 PolarHBondContact O-N 2.64Å
627	E	96.3	Very high	95.7	Very high	117 Å²	117	79.4 Å²	79.4	55%	0.547	39%	0.389	S	S	.	.			trans	-90.2	-6.6	176.9	-67	169.4	178.9	0	0	112.7	A622 R625	A622-E627 HydrophobicContact CB-CB 4.16Å; A622-E627 PolarHBondContact O-N 2.83Å; R625-E627 HydrophobicContact CB-CG 3.91Å; R625-E627 IonicContact CZ-OE1 3.94Å; R625-E627 IonicContact CZ-OE2 3.64Å; R625-E627 IonicContact NE-OE1 3.64Å; R625-E627 PolarHBondContact NE-OE1 3.21Å; R625-E627 IonicContact NE-OE2 2.74Å; R625-E627 PolarHBondContact NE-OE2 3.3Å; R625-E627 IonicContact NH2-OE1 3.42Å; R625-E627 IonicContact NH2-OE2 3.69Å; R625-E627 PolarHBondContact NH2-OE2 3.2Å; R625-E627 PolarHBondContact O-N 3.41Å
628	V	95.7	Very high	95.6	Very high	44 Å²	44	76.8 Å²	76.8	27%	0.267	37%	0.373	S	S	.	.	S	Bend	trans	-95.7	121.6	177.7	-174.1	0	0	0	0	108.7	F464 H498 A622 L623	F464-V628 HydrophobicContact CD2-CG1 4.17Å; F464-V628 HydrophobicContact CE2-CB 4.08Å; F464-V628 HydrophobicContact CE2-CG1 3.74Å; H498-V628 PolarHBondContact CE1-O 2.89Å; A622-V628 HydrophobicContact CB-CG2 3.88Å; L623-V628 HydrophobicContact CB-CG2 4.25Å; L623-V628 HydrophobicContact CD1-CB 4.1Å; L623-V628 HydrophobicContact CD1-CG2 4.28Å
629	E	95.6	Very high	95.2	Very high	173 Å²	173	80 Å²	80	81%	0.808	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-65.5	130.4	-179.2	-171.1	177.2	177.8	0	0	111.7
630	P	97.3	Very high	94.9	Very high	19 Å²	19	78.9 Å²	78.9	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62.1	138.1	176.1	-26.9	36.7	0	0	0	112.8	F464 E496 H498 F632	F464-P630 HydrophobicContact CE1-CB 3.95Å; F464-P630 HydrophobicContact CE1-CG 4.19Å; F464-P630 HydrophobicContact CZ-CB 4.08Å; F464-P630 HydrophobicContact CZ-CG 3.98Å; E496-P630 WeakPolarHBondContact O-CG 3.27Å; H498-P630 WeakPolarHBondContact NE2-CG 3.25Å; P630-F632 PolarHBondContact O-N 3Å
631	P	96.6	Very high	94.7	Very high	52 Å²	52	78.1 Å²	78.1	34%	0.338	39%	0.388	S	S	.	.	S	Bend	trans	-70.8	-13.3	178.9	27.4	-32.7	0	0	0	113.2	R461 F464	R461-P631 HydrophobicContact CB-CB 4.49Å; R461-P631 HydrophobicContact CB-CG 4.11Å; R461-P631 HydrophobicContact CG-CG 4.26Å; F464-P631 HydrophobicContact CB-CG 3.77Å; F464-P631 HydrophobicContact CD1-CG 4.05Å; F464-P631 HydrophobicContact CG-CG 3.93Å
632	F	96.5	Very high	94.6	Very high	51 Å²	51	72.3 Å²	72.3	22%	0.224	36%	0.363	C	S	.	.			trans	-140.2	127.4	176.6	168.3	-94.4	0	0	0	109.6	H450 R461 Y465 L493 G497 P630 P634	H450-F632 AromaticContact CE1-CE1 3.54Å; H450-F632 AromaticContact CE1-CZ 3.64Å; H450-F632 AromaticContact ND1-CE1 3.6Å; H450-F632 AromaticContact ND1-CZ 3.55Å; R461-F632 VanDerWaalsContact NH2-CE1 3.34Å; Y465-F632 WeakPolarHBondContact OH-CD1 3.37Å; L493-F632 HydrophobicContact CD1-CD1 3.99Å; L493-F632 HydrophobicContact CD1-CE1 3.94Å; G497-F632 WeakPolarHBondContact CA-O 3.33Å; P630-F632 PolarHBondContact O-N 3Å; F632-P634 HydrophobicContact CE1-CB 3.95Å; F632-P634 HydrophobicContact CZ-CB 4.41Å
633	K	96.4	Very high	94.3	Very high	142 Å²	142	74.7 Å²	74.7	62%	0.617	38%	0.379	S	S	*	.			trans	-107.4	120	172.9	-172.3	167.3	-174.9	163.8	0	109.8
634	P	95.2	Very high	94.1	Very high	6 Å²	6	75.4 Å²	75.4	4%	0.039	38%	0.382	C	S	.	.			trans	-65.4	151.5	179.4	25.2	-31.1	0	0	0	111.2	D494 F632 V636	D494-P634 WeakPolarHBondContact O-CG 3.43Å; F632-P634 HydrophobicContact CE1-CB 3.95Å; F632-P634 HydrophobicContact CZ-CB 4.41Å; P634-V636 HydrophobicContact CB-CG2 4.45Å; P634-V636 HydrophobicContact CG-CG2 4.43Å; P634-V636 PolarHBondContact O-N 3.23Å
635	K	94.1	Very high	93.9	Very high	175 Å²	175	73.6 Å²	73.6	76%	0.761	37%	0.365	S	S	*	.			trans	-79.4	106.9	176.8	-67.5	177.5	-176.8	170.7	0	108.5	N644	K635-N644 PolarHBondContact O-ND2 2.69Å; K635-N644 VanDerWaalsContact O-ND2 3.08Å
636	V	94.6	Very high	93.5	Very high	44 Å²	44	70.4 Å²	70.4	27%	0.267	36%	0.359	S	S	.	.			trans	-125.3	116.3	178.3	176.5	0	0	0	0	108.3	N443 H495 P634 A638 D641	N443-V636 WeakPolarHBondContact ND2-CG1 2.96Å; H495-V636 HydrophobicContact CB-CG1 4.48Å; H495-V636 HydrophobicContact CB-CG2 4.3Å; P634-V636 HydrophobicContact CB-CG2 4.45Å; P634-V636 HydrophobicContact CG-CG2 4.43Å; P634-V636 PolarHBondContact O-N 3.23Å; V636-A638 WeakPolarHBondContact CG1-O 3.14Å; V636-D641 HydrophobicContact CG1-CB 4.24Å
637	K	91.8	Very high	93	Very high	191 Å²	191	76.9 Å²	76.9	83%	0.83	38%	0.383	S	S	*	.	S	Bend	trans	-86.7	-29.6	-176.4	-64	178.1	-177.1	175	0	113.3	D641	K637-D641 PolarHBondContact N-OD2 3.18Å
638	A	91.9	Very high	92.4	Very high	36 Å²	36	78.6 Å²	78.6	30%	0.298	39%	0.391	S	S	.	.	S	Bend	trans	-154.3	160.6	-174.9	0	0	0	0	0	110.4	V636 N640 D641	V636-A638 WeakPolarHBondContact CG1-O 3.14Å; A638-N640 WeakPolarHBondContact CB-OD1 3.09Å; A638-N640 PolarHBondContact O-N 2.95Å; A638-N640 VanDerWaalsContact O-N 3.15Å; A638-D641 WeakPolarHBondContact O-CB 3.33Å; A638-D641 PolarHBondContact O-N 3.44Å
639	P	89.6	Confident	92	Very high	93 Å²	93	79.7 Å²	79.7	60%	0.604	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.4	177.9	-27.6	36.2	0	0	0	114.5	Y386 Y441 N443	Y386-P639 HydrophobicContact CD2-CB 4.28Å; Y441-P639 WeakPolarHBondContact CD1-O 3.45Å; Y441-P639 WeakPolarHBondContact CE1-O 3.34Å; N443-P639 PolarHBondContact ND2-O 3.31Å
640	N	90.4	Very high	91.6	Very high	68 Å²	68	72.6 Å²	72.6	36%	0.364	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8.6	178.2	68.2	-11.2	0	0	0	114.1	Y386 A638 C642	Y386-N640 HydrophobicContact CD1-CB 3.84Å; Y386-N640 HydrophobicContact CD2-CB 4.27Å; Y386-N640 HydrophobicContact CE1-CB 3.44Å; Y386-N640 VanDerWaalsContact CE1-CB 3.44Å; Y386-N640 HydrophobicContact CE2-CB 3.93Å; Y386-N640 HydrophobicContact CG-CB 4.23Å; Y386-N640 VanDerWaalsContact CZ-CB 3.49Å; Y386-N640 PolarHBondContact OH-ND2 3.29Å; A638-N640 WeakPolarHBondContact CB-OD1 3.09Å; A638-N640 PolarHBondContact O-N 2.95Å; A638-N640 VanDerWaalsContact O-N 3.15Å; N640-C642 PolarHBondContact O-N 2.77Å; N640-C642 PolarHBondContact O-SG 2.76Å
641	D	93.1	Very high	91.2	Very high	22 Å²	22	78 Å²	78	12%	0.118	39%	0.388	C	S	.	.			trans	-60.7	131.1	-178.2	-170.3	-1	0	0	0	110.3	Y441 V636 K637 A638 S643	Y441-D641 PolarHBondContact OH-O 2.86Å; V636-D641 HydrophobicContact CG1-CB 4.24Å; K637-D641 PolarHBondContact N-OD2 3.18Å; A638-D641 WeakPolarHBondContact O-CB 3.33Å; A638-D641 PolarHBondContact O-N 3.44Å; D641-S643 VanDerWaalsContact CG-OG 3.26Å; D641-S643 VanDerWaalsContact OD1-CB 3.22Å; D641-S643 WeakPolarHBondContact OD1-CB 3.49Å; D641-S643 PolarHBondContact OD1-N 2.85Å; D641-S643 PolarHBondContact OD1-OG 2.71Å; D641-S643 PolarHBondContact OD2-OG 3.36Å; D641-S643 VanDerWaalsContact OD2-OG 3.11Å
642	C	92.4	Very high	90.8	Very high	19 Å²	19	78.5 Å²	78.5	13%	0.128	39%	0.385	C	S	.	.			trans	-115.1	11.2	-179.8	-59.4	0	0	0	0	111.8	L377 N640 N644 F645 L650	L377-C642 WeakPolarHBondContact CD2-SG 3.35Å; N640-C642 PolarHBondContact O-N 2.77Å; N640-C642 PolarHBondContact O-SG 2.76Å; C642-N644 PolarHBondContact O-N 3.07Å; C642-N644 VanDerWaalsContact O-N 3.16Å; C642-F645 HydrophobicContact CB-CD2 4.25Å; C642-F645 PolarHBondContact O-N 2.93Å; C642-F645 VanDerWaalsContact O-N 3.16Å; C642-L650 HydrophobicContact CB-CD1 4.04Å; C642-L650 HydrophobicContact CB-CD2 3.68Å; C642-L650 VanDerWaalsContact O-CD1 3.32Å; C642-L650 WeakPolarHBondContact O-CD1 3.37Å
643	S	92.2	Very high	90.5	Very high	61 Å²	61	83.2 Å²	83.2	43%	0.427	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.4	-172	56	0	0	0	0	115	D641	D641-S643 VanDerWaalsContact CG-OG 3.26Å; D641-S643 VanDerWaalsContact OD1-CB 3.22Å; D641-S643 WeakPolarHBondContact OD1-CB 3.49Å; D641-S643 PolarHBondContact OD1-N 2.85Å; D641-S643 PolarHBondContact OD1-OG 2.71Å; D641-S643 PolarHBondContact OD2-OG 3.36Å; D641-S643 VanDerWaalsContact OD2-OG 3.11Å
644	N	92.1	Very high	90.2	Very high	15 Å²	15	77.5 Å²	77.5	8%	0.08	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	19.9	176.5	-54.2	-54.3	0	0	0	113.2	N443 G445 F449 K635 C642	N443-N644 PolarHBondContact O-ND2 3.45Å; G445-N644 WeakPolarHBondContact CA-O 3.38Å; F449-N644 HydrophobicContact CE1-CB 4.21Å; K635-N644 PolarHBondContact O-ND2 2.69Å; K635-N644 VanDerWaalsContact O-ND2 3.08Å; C642-N644 PolarHBondContact O-N 3.07Å; C642-N644 VanDerWaalsContact O-N 3.16Å
645	F	89.6	Confident	89.8	Confident	14 Å²	14	85.5 Å²	85.5	6%	0.061	42%	0.415	C	S	.	.	S	Bend	trans	-117.4	157.1	175.8	-67.2	-93.2	0	0	0	111.1	L367 Y441 L442 M492 C642 R647 L650	L367-F645 HydrophobicContact CB-CD1 4.2Å; L367-F645 HydrophobicContact CB-CE1 4.08Å; L367-F645 HydrophobicContact CD1-CE1 4.45Å; L367-F645 HydrophobicContact CD1-CZ 4.42Å; L367-F645 HydrophobicContact CD2-CD1 4.04Å; L367-F645 HydrophobicContact CD2-CD2 4.14Å; L367-F645 HydrophobicContact CD2-CE1 3.96Å; L367-F645 HydrophobicContact CD2-CE2 4.05Å; L367-F645 HydrophobicContact CD2-CG 4.12Å; L367-F645 HydrophobicContact CD2-CZ 3.95Å; L367-F645 HydrophobicContact CG-CE1 4.38Å; Y441-F645 AromaticContact CE2-CE2 3.88Å; Y441-F645 HydrophobicContact CE2-CE2 3.88Å; Y441-F645 AromaticContact CE2-CZ 3.75Å; Y441-F645 HydrophobicContact CE2-CZ 3.75Å; Y441-F645 AromaticContact CZ-CE2 3.97Å; Y441-F645 VanDerWaalsContact OH-CE2 3.28Å; Y441-F645 WeakPolarHBondContact OH-CE2 3.49Å; L442-F645 VanDerWaalsContact O-CZ 3.31Å; L442-F645 WeakPolarHBondContact O-CZ 3.36Å; M492-F645 HydrophobicContact CE-CE1 4.06Å; M492-F645 HydrophobicContact CE-CZ 4.34Å; C642-F645 HydrophobicContact CB-CD2 4.25Å; C642-F645 PolarHBondContact O-N 2.93Å; C642-F645 VanDerWaalsContact O-N 3.16Å; F645-R647 PolarHBondContact O-N 2.86Å; F645-L650 HydrophobicContact CB-CD1 4.23Å; F645-L650 HydrophobicContact CB-CD2 4.17Å; F645-L650 HydrophobicContact CB-CG 4.28Å
646	D	85.9	Confident	89.5	Confident	72 Å²	72	80 Å²	80	39%	0.385	39%	0.393	S	S	.	.			trans	-61.1	130.4	177.9	-161.6	-41.3	0	0	0	111.7	E648 F649 L650	D646-E648 PolarHBondContact O-N 2.77Å; D646-E648 PolarHBondContact OD1-N 3Å; D646-F649 HydrophobicContact CB-CD2 3.65Å; D646-F649 HydrophobicContact CB-CE2 3.89Å; D646-F649 PolarHBondContact O-N 2.83Å; D646-L650 WeakPolarHBondContact O-CG 3.13Å; D646-L650 PolarHBondContact O-N 3.38Å
647	R	85.6	Confident	88.8	Confident	201 Å²	201	79.8 Å²	79.8	76%	0.758	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-29.1	-179.9	-67.3	-176	175.8	-175.8	0.3	112.4	F645 F649 L650 N651	F645-R647 PolarHBondContact O-N 2.86Å; R647-F649 VanDerWaalsContact C-N 3.31Å; R647-F649 PolarHBondContact O-N 2.99Å; R647-L650 PolarHBondContact O-N 2.89Å; R647-N651 WeakPolarHBondContact O-CB 3.39Å; R647-N651 PolarHBondContact O-N 2.9Å; R647-N651 VanDerWaalsContact O-N 3.12Å; R647-N651 PolarHBondContact O-ND2 2.78Å; R647-N651 VanDerWaalsContact O-ND2 3.1Å
648	E	84.5	Confident	88	Confident	153 Å²	153	78.3 Å²	78.3	72%	0.715	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-44.7	177.3	-67.7	-166.5	170.8	0	0	111	D646	D646-E648 PolarHBondContact O-N 2.77Å; D646-E648 PolarHBondContact OD1-N 3Å
649	F	86.2	Confident	86.9	Confident	67 Å²	67	76.8 Å²	76.8	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-70.3	-42.7	176.9	-55.9	-48.5	0	0	0	112	V366 K369 D646 R647 N651 E652	V366-F649 HydrophobicContact CG1-CB 4.49Å; V366-F649 CarbonylContact O-C 3.53Å; K369-F649 HydrophobicContact CB-CE1 4.32Å; D646-F649 HydrophobicContact CB-CD2 3.65Å; D646-F649 HydrophobicContact CB-CE2 3.89Å; D646-F649 PolarHBondContact O-N 2.83Å; R647-F649 VanDerWaalsContact C-N 3.31Å; R647-F649 PolarHBondContact O-N 2.99Å; F649-N651 PolarHBondContact O-N 3.33Å; F649-N651 VanDerWaalsContact O-N 3.17Å; F649-E652 WeakPolarHBondContact O-CB 3.07Å; F649-E652 PolarHBondContact O-N 3.16Å
650	L	87.9	Confident	86	Confident	23 Å²	23	76.8 Å²	76.8	12%	0.12	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-21.9	-177.4	-61.6	177.4	0	0	0	114.3	K365 L367 C642 F645 D646 R647	K365-L650 HydrophobicContact CB-CD2 4.19Å; K365-L650 HydrophobicContact CD-CD2 4.45Å; K365-L650 WeakPolarHBondContact CD-O 3.45Å; K365-L650 HydrophobicContact CG-CD2 4.41Å; K365-L650 PolarHBondContact NZ-O 2.83Å; L367-L650 HydrophobicContact CD2-CD2 4.49Å; C642-L650 HydrophobicContact CB-CD1 4.04Å; C642-L650 HydrophobicContact CB-CD2 3.68Å; C642-L650 VanDerWaalsContact O-CD1 3.32Å; C642-L650 WeakPolarHBondContact O-CD1 3.37Å; F645-L650 HydrophobicContact CB-CD1 4.23Å; F645-L650 HydrophobicContact CB-CD2 4.17Å; F645-L650 HydrophobicContact CB-CG 4.28Å; D646-L650 WeakPolarHBondContact O-CG 3.13Å; D646-L650 PolarHBondContact O-N 3.38Å; R647-L650 PolarHBondContact O-N 2.89Å
651	N	88.1	Confident	85	Confident	133 Å²	133	79.5 Å²	79.5	71%	0.711	37%	0.374	S	S	*	.	H	α-helix	trans	-81.4	-18.4	175.4	-71.3	-24.2	0	0	0	112.5	R647 F649	R647-N651 WeakPolarHBondContact O-CB 3.39Å; R647-N651 PolarHBondContact O-N 2.9Å; R647-N651 VanDerWaalsContact O-N 3.12Å; R647-N651 PolarHBondContact O-ND2 2.78Å; R647-N651 VanDerWaalsContact O-ND2 3.1Å; F649-N651 PolarHBondContact O-N 3.33Å; F649-N651 VanDerWaalsContact O-N 3.17Å
652	E	89.3	Confident	83.8	Confident	62 Å²	62	84.5 Å²	84.5	29%	0.29	40%	0.401	S	S	.	.	S	Bend	trans	-69.5	141.9	175.2	-164.6	-179.2	154.9	0	0	110.9	V366 K374 F649 A654	V366-E652 HydrophobicContact CB-CB 4.25Å; V366-E652 HydrophobicContact CG2-CB 4Å; V366-E652 HydrophobicContact CG2-CG 4.2Å; K374-E652 WeakPolarHBondContact CE-OE1 3.37Å; K374-E652 IonicContact NZ-OE1 2.74Å; K374-E652 PolarHBondContact NZ-OE1 3.25Å; F649-E652 WeakPolarHBondContact O-CB 3.07Å; F649-E652 PolarHBondContact O-N 3.16Å; E652-A654 PolarHBondContact O-N 3.48Å
653	K	88.6	Confident	82.5	Confident	150 Å²	150	86.9 Å²	86.9	65%	0.652	41%	0.409	S	S	*	.			trans	-66.9	127.5	174.9	-68.7	-177.7	-179.5	174.9	0	109.7	R655	K653-R655 HydrophobicContact CB-CG 4.43Å; K653-R655 PolarHBondContact O-N 3.13Å
654	A	91.1	Very high	81.5	Confident	23 Å²	23	84.5 Å²	84.5	19%	0.19	39%	0.392	C	S	.	.			trans	-68.5	76.8	175.7	0	0	0	0	0	111.6	F363 L376 E652	F363-A654 HydrophobicContact CB-CB 4.08Å; L376-A654 HydrophobicContact CD2-CB 4.16Å; E652-A654 PolarHBondContact O-N 3.48Å
655	R	87.7	Confident	80.6	Confident	174 Å²	174	90 Å²	90	66%	0.657	42%	0.421	S	S	*	.			trans	-134.8	140.2	179.3	-65.9	-175.9	179.5	-178	-2.9	110.6	K374 K653	K374-R655 PolarHBondContact NZ-O 3.01Å; K653-R655 HydrophobicContact CB-CG 4.43Å; K653-R655 PolarHBondContact O-N 3.13Å
656	L	87.7	Confident	79.8	Confident	59 Å²	59	93.8 Å²	93.8	31%	0.309	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63.1	143.5	169.9	-61.9	176.1	0	0	0	109.8	V358 F363 L376 A391 F436	V358-L656 HydrophobicContact CG2-CD1 4.15Å; F363-L656 HydrophobicContact CE2-CD1 4.17Å; F363-L656 HydrophobicContact CE2-CD2 4.31Å; F363-L656 HydrophobicContact CE2-CG 4.09Å; F363-L656 HydrophobicContact CZ-CD2 4.47Å; L376-L656 HydrophobicContact CD1-CD2 3.78Å; A391-L656 HydrophobicContact CB-CD2 3.68Å; F436-L656 HydrophobicContact CE1-CD1 4Å; F436-L656 HydrophobicContact CE1-CD2 3.89Å; F436-L656 HydrophobicContact CZ-CD1 3.83Å; F436-L656 HydrophobicContact CZ-CD2 4.4Å
657	S	78.4	Confident	79.2	Confident	39 Å²	39	91.3 Å²	91.3	27%	0.273	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-77.8	136.1	179.9	-63.5	0	0	0	0	109.5	K374 H434	K374-S657 VanDerWaalsContact CE-OG 3.31Å; K374-S657 WeakPolarHBondContact CE-OG 3.35Å; H434-S657 PolarHBondContact CE1-O 2.73Å; H434-S657 PolarHBondContact NE2-O 3.04Å
658	Y	75.4	Confident	78.8	Confident	161 Å²	161	86.8 Å²	86.8	63%	0.631	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-71	143.3	179.6	-164.8	-95.3	0	0	0	111.4	K393 K661	K393-Y658 PolarHBondContact NZ-O 3.45Å; Y658-K661 WeakPolarHBondContact OH-CE 3.17Å
659	S	68.3	Low	78.7	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.021	41%	0.408	C	S	.	.			trans	-114.7	151.1	172.6	-83.7	0	0	0	0	111.1	D395 K661	D395-S659 PolarHBondContact OD1-OG 3.22Å; D395-S659 VanDerWaalsContact OD2-CB 3.31Å; D395-S659 WeakPolarHBondContact OD2-CB 3.44Å; D395-S659 PolarHBondContact OD2-OG 3.06Å; S659-K661 PolarHBondContact O-N 2.86Å
660	D	71.3	Confident	78.8	Confident	93 Å²	93	82.7 Å²	82.7	50%	0.497	42%	0.42	S	S	.	.			trans	-71.1	121.1	-178.2	-170.3	-20.4	0	0	0	110.5	N662 F663 I664	D660-N662 PolarHBondContact O-N 3Å; D660-N662 PolarHBondContact OD1-N 3.37Å; D660-F663 HydrophobicContact CB-CB 4.28Å; D660-F663 WeakPolarHBondContact O-CB 3.48Å; D660-F663 PolarHBondContact O-N 3.05Å; D660-I664 WeakPolarHBondContact O-CD1 3.34Å; D660-I664 WeakPolarHBondContact O-CG1 3.33Å; D660-I664 PolarHBondContact O-N 2.91Å; D660-I664 VanDerWaalsContact O-N 3.1Å
661	K	70.6	Confident	78.6	Confident	125 Å²	125	83.2 Å²	83.2	54%	0.543	43%	0.428	S	S	.	.	H	α-helix	trans	-56.3	-37.9	-178.8	-73.9	-179.5	171.2	173.3	0	112.6	Y658 S659 F663 I664 D665	Y658-K661 WeakPolarHBondContact OH-CE 3.17Å; S659-K661 PolarHBondContact O-N 2.86Å; K661-F663 VanDerWaalsContact C-N 3.25Å; K661-F663 PolarHBondContact O-N 3.07Å; K661-I664 PolarHBondContact O-N 3.24Å; K661-D665 PolarHBondContact O-N 2.92Å
662	N	67.4	Low	78.7	Confident	127 Å²	127	76.9 Å²	76.9	68%	0.679	39%	0.394	S	S	*	.	H	α-helix	trans	-66.6	-31.9	-179.6	-64.4	-36.3	0	0	0	111.7	D660 S666	D660-N662 PolarHBondContact O-N 3Å; D660-N662 PolarHBondContact OD1-N 3.37Å; N662-S666 PolarHBondContact O-OG 3.35Å; N662-S666 VanDerWaalsContact O-OG 3.13Å
663	F	64.4	Low	78.8	Confident	69 Å²	69	77.2 Å²	77.2	30%	0.303	41%	0.407	S	S	.	.	H	α-helix	trans	-75.7	-42.1	177.1	-162.9	-89.1	0	0	0	111.1	D395 M399 D660 K661 D665 S666 M667	D395-F663 HydrophobicContact CB-CD1 3.43Å; D395-F663 VanDerWaalsContact CB-CD1 3.43Å; D395-F663 HydrophobicContact CB-CE1 3.52Å; D395-F663 HydrophobicContact CB-CG 4.43Å; M399-F663 HydrophobicContact CE-CD2 3.9Å; M399-F663 HydrophobicContact CE-CE1 4.08Å; M399-F663 HydrophobicContact CE-CE2 3.38Å; M399-F663 HydrophobicContact CE-CG 4.44Å; M399-F663 HydrophobicContact CE-CZ 3.48Å; M399-F663 VanDerWaalsContact CE-CZ 3.48Å; M399-F663 HydrophobicContact CG-CZ 4.22Å; D660-F663 HydrophobicContact CB-CB 4.28Å; D660-F663 WeakPolarHBondContact O-CB 3.48Å; D660-F663 PolarHBondContact O-N 3.05Å; K661-F663 VanDerWaalsContact C-N 3.25Å; K661-F663 PolarHBondContact O-N 3.07Å; F663-D665 VanDerWaalsContact C-N 3.28Å; F663-D665 PolarHBondContact O-N 3.24Å; F663-S666 PolarHBondContact O-N 3.04Å; F663-S666 PolarHBondContact O-OG 3.12Å; F663-S666 VanDerWaalsContact O-OG 3.09Å; F663-M667 HydrophobicContact CE1-SD 4.49Å; F663-M667 WeakPolarHBondContact O-CB 3.43Å; F663-M667 PolarHBondContact O-N 3.39Å; F663-M667 VanDerWaalsContact O-N 3.13Å
664	I	71.1	Confident	78.9	Confident	11 Å²	11	72.9 Å²	72.9	6%	0.056	40%	0.404	C	S	.	.	H	α-helix	trans	-58.8	-39.5	179.6	-66	154.3	0	0	0	112	K432 E433 D660 K661 M667	K432-I664 HydrophobicContact CB-CG2 4.14Å; E433-I664 HydrophobicContact CB-CD1 4.34Å; E433-I664 HydrophobicContact CG-CD1 3.47Å; E433-I664 VanDerWaalsContact CG-CD1 3.47Å; E433-I664 HydrophobicContact CG-CG1 4.12Å; E433-I664 HydrophobicContact CG-CG2 4.47Å; D660-I664 WeakPolarHBondContact O-CD1 3.34Å; D660-I664 WeakPolarHBondContact O-CG1 3.33Å; D660-I664 PolarHBondContact O-N 2.91Å; D660-I664 VanDerWaalsContact O-N 3.1Å; K661-I664 PolarHBondContact O-N 3.24Å; I664-M667 WeakPolarHBondContact O-CB 3.23Å; I664-M667 PolarHBondContact O-N 3.38Å
665	D	73.2	Confident	79	Confident	130 Å²	130	71.8 Å²	71.8	70%	0.695	40%	0.395	S	S	*	.	H	α-helix	trans	-74.2	-24.2	-178.2	-71.9	-22.8	0	0	0	113.4	K661 F663	K661-D665 PolarHBondContact O-N 2.92Å; F663-D665 VanDerWaalsContact C-N 3.28Å; F663-D665 PolarHBondContact O-N 3.24Å
666	S	73.3	Confident	79.3	Confident	95 Å²	95	67 Å²	67	66%	0.664	39%	0.389	S	S	*	.	H	α-helix	trans	-93.4	-4.6	176	54.7	0	0	0	0	113.6	N662 F663	N662-S666 PolarHBondContact O-OG 3.35Å; N662-S666 VanDerWaalsContact O-OG 3.13Å; F663-S666 PolarHBondContact O-N 3.04Å; F663-S666 PolarHBondContact O-OG 3.12Å; F663-S666 VanDerWaalsContact O-OG 3.09Å
667	M	73.1	Confident	79.6	Confident	19 Å²	19	67.2 Å²	67.2	9%	0.094	39%	0.387	C	S	.	.	S	Bend	trans	-78.5	132.3	-175.2	-171	167.3	65.9	0	0	112.2	K394 L398 K432 F663 I664 Q669	K394-M667 HydrophobicContact CB-CE 3.51Å; K394-M667 HydrophobicContact CB-SD 3.61Å; K394-M667 HydrophobicContact CD-CE 3.71Å; K394-M667 HydrophobicContact CG-CE 4.28Å; L398-M667 HydrophobicContact CD1-CG 3.18Å; L398-M667 HydrophobicContact CD1-SD 3.41Å; L398-M667 WeakPolarHBondContact CD1-SD 3.33Å; K432-M667 VanDerWaalsContact O-CE 3.26Å; K432-M667 WeakPolarHBondContact O-CE 3.23Å; F663-M667 HydrophobicContact CE1-SD 4.49Å; F663-M667 WeakPolarHBondContact O-CB 3.43Å; F663-M667 PolarHBondContact O-N 3.39Å; F663-M667 VanDerWaalsContact O-N 3.13Å; I664-M667 WeakPolarHBondContact O-CB 3.23Å; I664-M667 PolarHBondContact O-N 3.38Å; M667-Q669 PolarHBondContact O-N 3.35Å
668	D	77.6	Confident	80.3	Confident	107 Å²	107	67.2 Å²	67.2	57%	0.572	38%	0.384	S	S	*	.			trans	-70.6	102.4	172	-176.1	8.5	0	0	0	110.9	A670 A671	D668-A670 PolarHBondContact O-N 2.92Å; D668-A670 VanDerWaalsContact OD1-CB 3.24Å; D668-A670 WeakPolarHBondContact OD1-CB 3.45Å; D668-A670 PolarHBondContact OD1-N 3.27Å; D668-A671 WeakPolarHBondContact O-CB 3.38Å; D668-A671 PolarHBondContact O-N 3.41Å
669	Q	82.9	Confident	81.1	Confident	69 Å²	69	60 Å²	60	32%	0.322	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-70.4	-19.5	178.9	-63.1	-68.7	-29.4	0	0	112.7	K432 M667 A671 F672	K432-Q669 PolarHBondContact O-NE2 3.14Å; M667-Q669 PolarHBondContact O-N 3.35Å; Q669-A671 PolarHBondContact O-N 2.63Å; Q669-F672 PolarHBondContact O-N 3.46Å
670	A	88	Confident	82	Confident	65 Å²	65	64.3 Å²	64.3	54%	0.537	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69.7	-21.6	-179.6	0	0	0	0	0	112.3	D668 F672 A673	D668-A670 PolarHBondContact O-N 2.92Å; D668-A670 VanDerWaalsContact OD1-CB 3.24Å; D668-A670 WeakPolarHBondContact OD1-CB 3.45Å; D668-A670 PolarHBondContact OD1-N 3.27Å; A670-F672 PolarHBondContact O-N 2.82Å; A670-F672 VanDerWaalsContact O-N 3.09Å; A670-A673 WeakPolarHBondContact O-CB 2.82Å; A670-A673 PolarHBondContact O-N 2.99Å
671	A	82.9	Confident	82.8	Confident	34 Å²	34	64.8 Å²	64.8	28%	0.281	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-55.4	-27.3	175.3	0	0	0	0	0	113.2	L398 V403 D668 Q669	L398-A671 HydrophobicContact CD2-CB 4.12Å; V403-A671 HydrophobicContact CG1-CB 4.45Å; V403-A671 VanDerWaalsContact CG1-O 3.29Å; V403-A671 WeakPolarHBondContact CG1-O 3.29Å; D668-A671 WeakPolarHBondContact O-CB 3.38Å; D668-A671 PolarHBondContact O-N 3.41Å; Q669-A671 PolarHBondContact O-N 2.63Å
672	F	91.5	Very high	83.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-106.3	20.4	179.6	-55.1	-71.4	0	0	0	113.3	K394 V397 L398 V403 Q430 L435 Q669 A670 G674 F675	K394-F672 HydrophobicContact CB-CD2 4.5Å; K394-F672 HydrophobicContact CB-CE2 3.74Å; K394-F672 HydrophobicContact CB-CZ 4.13Å; K394-F672 HydrophobicContact CD-CD2 3.79Å; K394-F672 HydrophobicContact CD-CE2 3.88Å; K394-F672 HydrophobicContact CG-CD2 3.95Å; K394-F672 HydrophobicContact CG-CE2 3.63Å; K394-F672 HydrophobicContact CG-CZ 4.08Å; V397-F672 HydrophobicContact CB-CE1 4.49Å; V397-F672 HydrophobicContact CB-CZ 4.3Å; V397-F672 HydrophobicContact CG1-CE1 3.82Å; V397-F672 HydrophobicContact CG1-CZ 4.01Å; L398-F672 HydrophobicContact CD1-CE2 4.04Å; L398-F672 HydrophobicContact CD1-CZ 4.39Å; L398-F672 HydrophobicContact CD2-CE2 4.37Å; L398-F672 HydrophobicContact CD2-CZ 4.23Å; L398-F672 HydrophobicContact CG-CE2 4.06Å; L398-F672 HydrophobicContact CG-CZ 3.92Å; V403-F672 HydrophobicContact CB-CE1 4.41Å; V403-F672 HydrophobicContact CG1-CD1 4.26Å; V403-F672 HydrophobicContact CG1-CE1 4.09Å; V403-F672 HydrophobicContact CG2-CE1 3.94Å; V403-F672 HydrophobicContact CG2-CZ 4.07Å; Q430-F672 PolarHBondContact NE2-O 3.06Å; L435-F672 HydrophobicContact CD1-CD1 3.62Å; L435-F672 HydrophobicContact CD1-CE1 3.61Å; L435-F672 HydrophobicContact CD1-CG 4.36Å; L435-F672 HydrophobicContact CD1-CZ 4.33Å; L435-F672 HydrophobicContact CD2-CB 4.16Å; L435-F672 HydrophobicContact CD2-CD1 4.1Å; L435-F672 HydrophobicContact CD2-CG 4.07Å; L435-F672 HydrophobicContact CG-CD1 4.42Å; Q669-F672 PolarHBondContact O-N 3.46Å; A670-F672 PolarHBondContact O-N 2.82Å; A670-F672 VanDerWaalsContact O-N 3.09Å; F672-G674 PolarHBondContact O-N 3.02Å; F672-F675 VanDerWaalsContact O-CB 3.3Å; F672-F675 WeakPolarHBondContact O-CB 3.27Å; F672-F675 PolarHBondContact O-N 2.94Å
673	A	90.3	Very high	84.6	Confident	69 Å²	69	55.8 Å²	55.8	57%	0.57	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	137.9	175.2	0	0	0	0	0	110.8	M407 A670 F675	M407-A673 WeakPolarHBondContact CE-O 3.42Å; A670-A673 WeakPolarHBondContact O-CB 2.82Å; A670-A673 PolarHBondContact O-N 2.99Å; A673-F675 VanDerWaalsContact C-N 3.27Å; A673-F675 PolarHBondContact O-N 3.31Å
674	G	90.6	Very high	85.7	Confident	58 Å²	58	57.4 Å²	57.4	60%	0.598	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	9.2	-178	0	0	0	0	0	115.1	K410 F672	K410-G674 PolarHBondContact NZ-O 3.42Å; F672-G674 PolarHBondContact O-N 3.02Å
675	F	94.5	Very high	86.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.348	C	S	.	.			trans	-61.7	-49.2	174.6	-177.6	-103	0	0	0	111.8	T406 M407 K410 T428 F429 Q430 L435 F437 F672 A673 F677	T406-F675 HydrophobicContact CG2-CE2 3.98Å; M407-F675 HydrophobicContact SD-CB 4.27Å; M407-F675 HydrophobicContact SD-CD2 4Å; K410-F675 HydrophobicContact CB-CE2 4.43Å; K410-F675 PolarHBondContact NZ-O 2.94Å; T428-F675 HydrophobicContact CG2-CE1 4.26Å; T428-F675 HydrophobicContact CG2-CZ 4.02Å; T428-F675 PolarHBondContact OG1-O 3.28Å; F429-F675 VanDerWaalsContact O-CE1 3.29Å; F429-F675 WeakPolarHBondContact O-CE1 3.48Å; Q430-F675 HydrophobicContact CB-CD1 4.06Å; L435-F675 HydrophobicContact CB-CE1 3.91Å; L435-F675 HydrophobicContact CB-CE2 4.25Å; L435-F675 HydrophobicContact CB-CZ 3.73Å; L435-F675 HydrophobicContact CD1-CE2 4.38Å; L435-F675 HydrophobicContact CD2-CD1 3.89Å; L435-F675 HydrophobicContact CD2-CD2 4.28Å; L435-F675 HydrophobicContact CD2-CE1 4.06Å; L435-F675 HydrophobicContact CD2-CE2 4.45Å; L435-F675 HydrophobicContact CD2-CG 4.01Å; L435-F675 HydrophobicContact CD2-CZ 4.36Å; L435-F675 HydrophobicContact CG-CZ 4.47Å; F437-F675 HydrophobicContact CD2-CZ 4.02Å; F437-F675 HydrophobicContact CE1-CE2 4.13Å; F437-F675 HydrophobicContact CE1-CZ 4.22Å; F437-F675 AromaticContact CE2-CE2 3.79Å; F437-F675 HydrophobicContact CE2-CE2 3.79Å; F437-F675 AromaticContact CE2-CZ 3.61Å; F437-F675 HydrophobicContact CE2-CZ 3.61Å; F437-F675 HydrophobicContact CG-CZ 4.47Å; F437-F675 AromaticContact CZ-CE2 3.52Å; F437-F675 HydrophobicContact CZ-CE2 3.52Å; F437-F675 AromaticContact CZ-CZ 3.74Å; F437-F675 HydrophobicContact CZ-CZ 3.74Å; F672-F675 VanDerWaalsContact O-CB 3.3Å; F672-F675 WeakPolarHBondContact O-CB 3.27Å; F672-F675 PolarHBondContact O-N 2.94Å; A673-F675 VanDerWaalsContact C-N 3.27Å; A673-F675 PolarHBondContact O-N 3.31Å; F675-F677 PolarHBondContact O-N 3.41Å
676	S	93.8	Very high	86.9	Confident	74 Å²	74	53 Å²	53	52%	0.517	32%	0.322	S	S	.	.			trans	-57.3	135.8	-174.9	-52.5	0	0	0	0	112.9	T428	T428-S676 VanDerWaalsContact O-CA 3.31Å; T428-S676 WeakPolarHBondContact O-CA 2.98Å
677	F	93.8	Very high	87.2	Confident	63 Å²	63	54.8 Å²	54.8	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	144.8	179.8	164.1	-96	0	0	0	108.9	A414 L425 C427 T428 F675 N679	A414-F677 HydrophobicContact CB-CE1 4.11Å; A414-F677 HydrophobicContact CB-CE2 4.25Å; A414-F677 HydrophobicContact CB-CZ 3.96Å; L425-F677 HydrophobicContact CD2-CD1 3.97Å; L425-F677 HydrophobicContact CD2-CE1 4.17Å; C427-F677 CarbonylContact C-O 3.51Å; C427-F677 WeakPolarHBondContact CA-O 3.36Å; C427-F677 WeakPolarHBondContact CB-O 3.29Å; T428-F677 PolarHBondContact N-O 2.68Å; T428-F677 PolarHBondContact O-N 3.05Å; T428-F677 VanDerWaalsContact O-N 3.08Å; T428-F677 WeakPolarHBondContact OG1-CB 3.48Å; T428-F677 PolarHBondContact OG1-N 2.91Å; F675-F677 PolarHBondContact O-N 3.41Å; F677-N679 HydrophobicContact CE1-CB 4.21Å; F677-N679 HydrophobicContact CZ-CB 4.43Å
678	I	93.1	Very high	86.7	Confident	39 Å²	39	61.9 Å²	61.9	20%	0.2	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.8	174	-167.8	166.5	0	0	0	109.4	V356 C427 M682 E683 L686	V356-I678 HydrophobicContact CG2-CD1 4.07Å; C427-I678 HydrophobicContact CB-CB 4.34Å; C427-I678 HydrophobicContact CB-CG1 4.14Å; I678-M682 HydrophobicContact CD1-CB 4.4Å; I678-M682 HydrophobicContact CD1-CG 4.18Å; I678-M682 HydrophobicContact CG1-CB 3.91Å; I678-M682 HydrophobicContact CG1-CG 4.05Å; I678-E683 HydrophobicContact CD1-CG 3.64Å; I678-E683 HydrophobicContact CG1-CG 3.81Å; I678-E683 HydrophobicContact CG2-CG 4.05Å; I678-E683 VanDerWaalsContact CG2-OE1 3.3Å; I678-E683 WeakPolarHBondContact CG2-OE1 3.42Å; I678-L686 HydrophobicContact CD1-CD1 3.74Å
679	N	91.1	Very high	87.1	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.059	34%	0.339	C	S	.	.			trans	-80.6	141.5	174.1	-172.3	-55.9	0	0	0	109.3	W417 Y426 F677 K681 M682 E683	W417-N679 WeakPolarHBondContact CZ3-ND2 3.36Å; Y426-N679 WeakPolarHBondContact O-CB 3.28Å; Y426-N679 PolarHBondContact O-N 2.68Å; F677-N679 HydrophobicContact CE1-CB 4.21Å; F677-N679 HydrophobicContact CZ-CB 4.43Å; N679-K681 PolarHBondContact O-N 3.33Å; N679-K681 VanDerWaalsContact O-N 3.07Å; N679-K681 PolarHBondContact OD1-N 3.41Å; N679-M682 WeakPolarHBondContact O-CA 3.42Å; N679-M682 VanDerWaalsContact O-CB 3.32Å; N679-M682 WeakPolarHBondContact O-CB 3.03Å; N679-M682 PolarHBondContact O-N 3.42Å; N679-E683 PolarHBondContact O-N 3.39Å; N679-E683 VanDerWaalsContact O-N 3.16Å
680	P	88.4	Confident	87.3	Confident	93 Å²	93	59.2 Å²	59.2	60%	0.604	34%	0.34	S	S	*	.	H	α-helix	trans	-50.6	-33.2	175.4	-30	35.4	0	0	0	114.9	M682 E683 H684	P680-M682 VanDerWaalsContact C-N 3.31Å; P680-M682 PolarHBondContact O-N 2.91Å; P680-E683 PolarHBondContact O-N 2.96Å; P680-H684 PolarHBondContact O-N 3.35Å; P680-H684 VanDerWaalsContact O-N 3.13Å
681	K	87.4	Confident	87.3	Confident	103 Å²	103	58.8 Å²	58.8	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-36.1	175.4	-168.6	-179.1	179.5	-168.8	0	112	W417 Y426 N679 L685	W417-K681 HydrophobicContact CH2-CB 4.1Å; W417-K681 HydrophobicContact CH2-CD 3.69Å; W417-K681 HydrophobicContact CZ2-CB 3.94Å; W417-K681 HydrophobicContact CZ2-CD 3.7Å; W417-K681 HydrophobicContact CZ2-CG 4.47Å; Y426-K681 HydrophobicContact CE1-CB 4.49Å; Y426-K681 HydrophobicContact CE1-CD 3.74Å; Y426-K681 HydrophobicContact CE1-CG 4.07Å; Y426-K681 PolarHBondContact OH-NZ 2.85Å; N679-K681 PolarHBondContact O-N 3.33Å; N679-K681 VanDerWaalsContact O-N 3.07Å; N679-K681 PolarHBondContact OD1-N 3.41Å; K681-L685 WeakPolarHBondContact O-CG 3.45Å; K681-L685 PolarHBondContact O-N 3.47Å; K681-L685 VanDerWaalsContact O-N 3.11Å
682	M	89.3	Confident	87.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-71	-37.7	176.2	-172.4	62.1	-177.7	0	0	111.5	F361 L380 F387 Y426 C427 I678 N679 P680 H684 L685 L686	F361-M682 HydrophobicContact CE1-CE 4.39Å; F361-M682 HydrophobicContact CZ-CE 3.87Å; L380-M682 HydrophobicContact CD2-CE 4.3Å; F387-M682 HydrophobicContact CZ-SD 4.37Å; Y426-M682 HydrophobicContact CD1-CB 4.19Å; Y426-M682 HydrophobicContact CD1-SD 4.21Å; Y426-M682 WeakPolarHBondContact O-CB 3.39Å; C427-M682 HydrophobicContact CB-CG 4.16Å; I678-M682 HydrophobicContact CD1-CB 4.4Å; I678-M682 HydrophobicContact CD1-CG 4.18Å; I678-M682 HydrophobicContact CG1-CB 3.91Å; I678-M682 HydrophobicContact CG1-CG 4.05Å; N679-M682 WeakPolarHBondContact O-CA 3.42Å; N679-M682 VanDerWaalsContact O-CB 3.32Å; N679-M682 WeakPolarHBondContact O-CB 3.03Å; N679-M682 PolarHBondContact O-N 3.42Å; P680-M682 VanDerWaalsContact C-N 3.31Å; P680-M682 PolarHBondContact O-N 2.91Å; M682-H684 VanDerWaalsContact C-N 3.34Å; M682-H684 PolarHBondContact O-N 2.78Å; M682-L685 PolarHBondContact O-N 3.16Å; M682-L685 HydrophobicContact SD-CD1 4.48Å; M682-L686 HydrophobicContact CE-CD1 4.23Å; M682-L686 HydrophobicContact CE-CD2 4.07Å; M682-L686 HydrophobicContact CE-CG 4.14Å; M682-L686 HydrophobicContact CG-CD1 4.14Å; M682-L686 VanDerWaalsContact O-CG 3.3Å; M682-L686 WeakPolarHBondContact O-CG 3.25Å; M682-L686 PolarHBondContact O-N 2.87Å
683	E	87.1	Confident	87.3	Confident	63 Å²	63	64.1 Å²	64.1	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-57.2	-49.3	173.6	-66.7	179.8	159.6	0	0	110.7	I678 N679 P680 L685 L686 E687	I678-E683 HydrophobicContact CD1-CG 3.64Å; I678-E683 HydrophobicContact CG1-CG 3.81Å; I678-E683 HydrophobicContact CG2-CG 4.05Å; I678-E683 VanDerWaalsContact CG2-OE1 3.3Å; I678-E683 WeakPolarHBondContact CG2-OE1 3.42Å; N679-E683 PolarHBondContact O-N 3.39Å; N679-E683 VanDerWaalsContact O-N 3.16Å; P680-E683 PolarHBondContact O-N 2.96Å; E683-L685 VanDerWaalsContact C-N 3.29Å; E683-L685 PolarHBondContact O-N 3.04Å; E683-L686 PolarHBondContact O-N 3.09Å; E683-E687 WeakPolarHBondContact O-CG 3.45Å; E683-E687 PolarHBondContact O-N 2.91Å
684	H	86.3	Confident	87.1	Confident	102 Å²	102	63.7 Å²	63.7	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-37.2	176.4	-172.5	61	0	0	0	113.2	P680 M682 L686 K688	P680-H684 PolarHBondContact O-N 3.35Å; P680-H684 VanDerWaalsContact O-N 3.13Å; M682-H684 VanDerWaalsContact C-N 3.34Å; M682-H684 PolarHBondContact O-N 2.78Å; H684-L686 VanDerWaalsContact C-N 3.27Å; H684-L686 PolarHBondContact O-N 3.46Å; H684-K688 WeakPolarHBondContact NE2-CE 3.46Å; H684-K688 PolarHBondContact O-N 2.95Å
685	L	86.6	Confident	86.9	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-25.8	174.7	-74.8	174.3	0	0	0	112.6	R383 E385 F387 Y426 K681 M682 E683	R383-L685 WeakPolarHBondContact CD-O 3.31Å; R383-L685 PolarHBondContact NE-O 2.87Å; R383-L685 PolarHBondContact NH1-O 3.46Å; R383-L685 PolarHBondContact NH2-O 3.46Å; R383-L685 VanDerWaalsContact NH2-O 3.13Å; E385-L685 HydrophobicContact CG-CD2 4.46Å; F387-L685 HydrophobicContact CZ-CD1 4.05Å; Y426-L685 HydrophobicContact CD1-CD1 4.15Å; Y426-L685 HydrophobicContact CE1-CD1 3.83Å; K681-L685 WeakPolarHBondContact O-CG 3.45Å; K681-L685 PolarHBondContact O-N 3.47Å; K681-L685 VanDerWaalsContact O-N 3.11Å; M682-L685 PolarHBondContact O-N 3.16Å; M682-L685 HydrophobicContact SD-CD1 4.48Å; E683-L685 VanDerWaalsContact C-N 3.29Å; E683-L685 PolarHBondContact O-N 3.04Å
686	L	84.5	Confident	86.3	Confident	27 Å²	27	69.1 Å²	69.1	14%	0.141	35%	0.345	C	S	.	.	H	α-helix	trans	-86.5	-25.4	178.4	-68.8	165.1	0	0	0	113.1	T354 V356 L380 R383 I678 M682 E683 H684	T354-L686 HydrophobicContact CG2-CB 3.77Å; T354-L686 HydrophobicContact CG2-CD1 3.83Å; T354-L686 HydrophobicContact CG2-CG 4.37Å; V356-L686 HydrophobicContact CG2-CD1 3.35Å; V356-L686 HydrophobicContact CG2-CD2 4.48Å; L380-L686 HydrophobicContact CD1-CD2 4.24Å; L380-L686 HydrophobicContact CD2-CD2 4.45Å; R383-L686 VanDerWaalsContact NH2-C 3.32Å; R383-L686 PolarHBondContact NH2-O 2.77Å; I678-L686 HydrophobicContact CD1-CD1 3.74Å; M682-L686 HydrophobicContact CE-CD1 4.23Å; M682-L686 HydrophobicContact CE-CD2 4.07Å; M682-L686 HydrophobicContact CE-CG 4.14Å; M682-L686 HydrophobicContact CG-CD1 4.14Å; M682-L686 VanDerWaalsContact O-CG 3.3Å; M682-L686 WeakPolarHBondContact O-CG 3.25Å; M682-L686 PolarHBondContact O-N 2.87Å; E683-L686 PolarHBondContact O-N 3.09Å; H684-L686 VanDerWaalsContact C-N 3.27Å; H684-L686 PolarHBondContact O-N 3.46Å
687	E	79.6	Confident	85.7	Confident	134 Å²	134	68.7 Å²	68.7	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-81.8	-25.9	-179.6	-73	179.4	176.7	0	0	114.6	E683	E683-E687 WeakPolarHBondContact O-CG 3.45Å; E683-E687 PolarHBondContact O-N 2.91Å
688	K	60.9	Low	84.9	Confident	168 Å²	168	69.2 Å²	69.2	73%	0.73	34%	0.335	S	S	*	.			trans	-65.6	0	176.5	-80.6	-177.1	174.7	-179.4	0	113.2	R383 H684	R383-K688 VanDerWaalsContact NH1-CB 3.33Å; R383-K688 PolarHBondContact NH1-O 3.02Å; R383-K688 PolarHBondContact NH1-OXT 2.97Å; R383-K688 PolarHBondContact NH2-OXT 2.91Å; H684-K688 WeakPolarHBondContact NE2-CE 3.46Å; H684-K688 PolarHBondContact O-N 2.95Å

Retrieved 688 of 688 residues in 1256.3 ms (Link to these results)

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