A0A087YNH2_POEFO Loading...

Ras-related GTP-binding protein

Guanine nucleotide-binding protein that plays a crucial role in the cellular response to amino acid availability through regulation of the mTORC1 signaling cascade.

AlphaFold DB , UniProt , Accession A0A087YNH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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	L	35.4	Very low	50.7	Low	220 Å²	220	125.4 Å²	125.4	100%	1.152	71%	0.709	S	S	*	*				0	104.7	0	-72.8	160.7	0	0	0	108.1	R3	L1-R3 PolarHBondContact O-N 3.41Å
2	P	35.7	Very low	54.3	Low	132 Å²	132	118.7 Å²	118.7	86%	0.857	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-74	131.1	179.4	28.8	-26	0	0	0	109.1	G4	P2-G4 PolarHBondContact O-N 2.87Å
3	R	33.6	Very low	57.5	Low	242 Å²	242	111.2 Å²	111.2	91%	0.913	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56.6	123.2	174.6	-71.1	176.2	173.5	179	-2.8	108.7	L1 M5	L1-R3 PolarHBondContact O-N 3.41Å; R3-M5 PolarHBondContact O-N 2.7Å
4	G	33.4	Very low	60.3	Low	79 Å²	79	103.5 Å²	103.5	81%	0.814	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57.5	120.1	177.1	0	0	0	0	0	110.8	P2 S6	P2-G4 PolarHBondContact O-N 2.87Å; G4-S6 PolarHBondContact O-N 3.1Å
5	M	34.1	Very low	62.8	Low	168 Å²	168	96.6 Å²	96.6	83%	0.828	54%	0.541	S	S	*	.			trans	-64.8	110.6	170.1	-71.8	167.6	66.8	0	0	108	R3 S7	R3-M5 PolarHBondContact O-N 2.7Å; M5-S7 PolarHBondContact O-N 3.49Å
6	S	39.6	Very low	64.9	Low	108 Å²	108	90.6 Å²	90.6	76%	0.755	51%	0.507	S	S	*	.			trans	-68.8	121.1	171.9	56.4	0	0	0	0	108.9	G4 S8	G4-S6 PolarHBondContact O-N 3.1Å; S6-S8 PolarHBondContact O-N 2.97Å
7	S	49.7	Very low	66.9	Low	69 Å²	69	85.3 Å²	85.3	48%	0.483	48%	0.477	S	S	.	.			trans	-50.6	124.5	162.6	54.9	0	0	0	0	108.6	M5 A9	M5-S7 PolarHBondContact O-N 3.49Å; S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 3.25Å
8	S	59.8	Low	68.5	Low	102 Å²	102	80.6 Å²	80.6	71%	0.713	45%	0.451	S	S	*	.			trans	-70.4	92.1	178.9	56.6	0	0	0	0	109.1	S6 M10	S6-S8 PolarHBondContact O-N 2.97Å; S8-M10 PolarHBondContact O-N 3.24Å
9	A	65.7	Low	69.9	Low	30 Å²	30	78.9 Å²	78.9	25%	0.248	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.4	177	0	0	0	0	0	110	S7 K11 N59 V61	S7-A9 VanDerWaalsContact C-N 3.34Å; S7-A9 PolarHBondContact O-N 3.25Å; A9-K11 PolarHBondContact O-N 2.94Å; A9-N59 CarbonylContact C-O 3.57Å; A9-N59 VanDerWaalsContact CA-O 3.24Å; A9-N59 WeakPolarHBondContact CA-O 3.35Å; A9-N59 WeakPolarHBondContact CB-O 3.5Å; A9-V61 HydrophobicContact CB-CG2 3.86Å
10	M	81.2	Confident	71.1	Confident	74 Å²	74	77.8 Å²	77.8	37%	0.365	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.4	179.7	-76.9	-169.7	-74.3	0	0	109.6	S8 N59 V61 P186	S8-M10 PolarHBondContact O-N 3.24Å; M10-N59 PolarHBondContact N-O 3.41Å; M10-V61 PolarHBondContact O-N 2.93Å; M10-P186 HydrophobicContact CE-CB 3.32Å; M10-P186 HydrophobicContact CE-CG 3.43Å; M10-P186 VanDerWaalsContact CE-CG 3.43Å
11	K	89.3	Confident	72.2	Confident	155 Å²	155	76.5 Å²	76.5	67%	0.674	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.2	178.3	-68.1	-179.8	-177.2	-179.8	0	109	A9 V61	A9-K11 PolarHBondContact O-N 2.94Å; K11-V61 WeakPolarHBondContact CA-O 3.22Å; K11-V61 HydrophobicContact CG-CB 4.24Å
12	K	93.7	Very high	75.1	Confident	45 Å²	45	66 Å²	66	20%	0.196	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.1	177.1	-65.8	-68.6	-175.2	175.1	0	109.3	L60 V61 L62 N63 E90 L184	K12-L60 HydrophobicContact CB-CD1 4.13Å; K12-L60 HydrophobicContact CG-CD1 3.5Å; K12-V61 PolarHBondContact N-O 2.99Å; K12-L62 HydrophobicContact CB-CD2 4.32Å; K12-N63 PolarHBondContact O-N 3.5Å; K12-E90 HydrophobicContact CB-CG 4.33Å; K12-E90 HydrophobicContact CD-CB 4.16Å; K12-E90 HydrophobicContact CD-CG 3.51Å; K12-E90 WeakPolarHBondContact CD-OE1 3.42Å; K12-E90 WeakPolarHBondContact CD-OE2 3.34Å; K12-E90 IonicContact NZ-OE1 3.66Å; K12-E90 PolarHBondContact NZ-OE1 2.97Å; K12-E90 IonicContact NZ-OE2 3.5Å; K12-E90 PolarHBondContact NZ-OE2 2.89Å; K12-L184 HydrophobicContact CB-CD2 4.29Å; K12-L184 HydrophobicContact CG-CD2 4.36Å
13	K	95.9	Very high	77.9	Confident	22 Å²	22	60.2 Å²	60.2	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.2	178.6	-175.8	176.6	172.8	-178	0	109.7	W65 N84 I85 R87 N88 V89 E90 V91	K13-W65 HydrophobicContact CD-CZ2 4.37Å; K13-N84 PolarHBondContact NZ-O 3.13Å; K13-I85 VanDerWaalsContact CE-O 3.24Å; K13-I85 WeakPolarHBondContact CE-O 3.4Å; K13-I85 PolarHBondContact NZ-O 2.81Å; K13-R87 PolarHBondContact NZ-O 2.79Å; K13-N88 VanDerWaalsContact CB-O 3.29Å; K13-N88 WeakPolarHBondContact CB-O 3.45Å; K13-V89 HydrophobicContact CD-CG2 4.23Å; K13-E90 PolarHBondContact O-N 3.2Å; K13-V91 PolarHBondContact O-N 3.37Å
14	V	97	Very high	80.9	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.2	179.8	-177.7	0	0	0	0	108.1	L62 N63 L64 W65 V91 I93 L184	V14-L62 HydrophobicContact CG2-CD2 4.38Å; V14-N63 PolarHBondContact N-O 3.16Å; V14-L64 HydrophobicContact CB-CD2 3.78Å; V14-L64 HydrophobicContact CG1-CD2 3.67Å; V14-L64 WeakPolarHBondContact O-CA 3.46Å; V14-W65 PolarHBondContact O-N 2.9Å; V14-V91 WeakPolarHBondContact CA-O 3.5Å; V14-V91 HydrophobicContact CG1-CB 4.23Å; V14-V91 HydrophobicContact CG1-CG1 4.18Å; V14-V91 HydrophobicContact CG2-CB 4.32Å; V14-I93 HydrophobicContact CG1-CD1 3.64Å; V14-I93 HydrophobicContact CG1-CG1 4.09Å; V14-L184 HydrophobicContact CG2-CD1 3.79Å
15	L	97.6	Very high	83.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.3	174.8	-66.5	-173	0	0	0	110	M17 W65 I85 F86 V89 V91 L92 I93 I117	L15-M17 HydrophobicContact CB-CG 4.42Å; L15-M17 HydrophobicContact CD1-SD 4.4Å; L15-W65 HydrophobicContact CD2-CB 3.63Å; L15-W65 HydrophobicContact CD2-CD2 4.2Å; L15-W65 HydrophobicContact CD2-CE3 4.29Å; L15-W65 HydrophobicContact CD2-CG 3.93Å; L15-I85 HydrophobicContact CD1-CG2 4.02Å; L15-I85 HydrophobicContact CD2-CG2 4.26Å; L15-F86 HydrophobicContact CD1-CD1 3.95Å; L15-F86 HydrophobicContact CD1-CE1 4.18Å; L15-V89 HydrophobicContact CB-CG1 4.46Å; L15-V89 HydrophobicContact CD1-CB 4.42Å; L15-V89 HydrophobicContact CD1-CG1 3.99Å; L15-V89 HydrophobicContact CD1-CG2 3.53Å; L15-V89 HydrophobicContact CD2-CG2 4.47Å; L15-V89 HydrophobicContact CG-CG1 3.87Å; L15-V89 HydrophobicContact CG-CG2 3.81Å; L15-V91 PolarHBondContact N-O 3.16Å; L15-L92 HydrophobicContact CB-CD1 3.84Å; L15-L92 HydrophobicContact CD1-CD1 4.5Å; L15-I93 PolarHBondContact O-N 3.25Å; L15-I117 HydrophobicContact CD1-CD1 4.29Å
16	L	97.5	Very high	86.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	104.4	172.6	-176.9	64.4	0	0	0	108.4	K24 R28 W65 C67 I93 V95	L16-K24 HydrophobicContact CD1-CG 4.41Å; L16-K24 HydrophobicContact CD2-CB 3.83Å; L16-K24 WeakPolarHBondContact CD2-O 3.34Å; L16-K24 HydrophobicContact CG-CB 3.88Å; L16-K24 HydrophobicContact CG-CD 4.39Å; L16-K24 HydrophobicContact CG-CG 4.06Å; L16-R28 HydrophobicContact CD2-CB 4.38Å; L16-W65 PolarHBondContact N-O 3.05Å; L16-C67 PolarHBondContact O-N 3.04Å; L16-I93 WeakPolarHBondContact CA-O 2.97Å; L16-I93 HydrophobicContact CD1-CB 3.85Å; L16-I93 HydrophobicContact CD1-CG2 3.74Å; L16-V95 HydrophobicContact CD1-CG2 3.7Å
17	M	97.3	Very high	89.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	165.9	-172.8	-61.7	-167.3	81	0	0	112.1	L15 K24 C67 M74 Y77 F86 L92 I93 Y94 V95 C113	L15-M17 HydrophobicContact CB-CG 4.42Å; L15-M17 HydrophobicContact CD1-SD 4.4Å; M17-K24 VanDerWaalsContact C-CD 3.43Å; M17-C67 HydrophobicContact CE-CB 4.45Å; M17-C67 HydrophobicContact CG-CB 4.08Å; M17-M74 HydrophobicContact CE-CE 4.21Å; M17-M74 HydrophobicContact CE-SD 3.99Å; M17-Y77 HydrophobicContact CE-CD2 3.95Å; M17-F86 HydrophobicContact CE-CZ 4Å; M17-F86 HydrophobicContact SD-CE1 3.78Å; M17-F86 HydrophobicContact SD-CZ 3.88Å; M17-L92 HydrophobicContact CB-CD1 4.22Å; M17-L92 HydrophobicContact CG-CD1 4.08Å; M17-L92 HydrophobicContact SD-CD1 4.18Å; M17-I93 PolarHBondContact N-O 3.44Å; M17-Y94 HydrophobicContact CB-CD2 4.01Å; M17-Y94 HydrophobicContact CB-CE2 4.23Å; M17-Y94 CarbonylContact O-C 3.5Å; M17-Y94 WeakPolarHBondContact O-CA 3.18Å; M17-V95 PolarHBondContact O-N 2.95Å; M17-C113 VanDerWaalsContact SD-SG 3.68Å
18	G	96.1	Very high	91.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.			trans	138.1	165.5	-177.6	0	0	0	0	0	111.4	K24 G69	G18-K24 VanDerWaalsContact O-CE 3.3Å; G18-K24 WeakPolarHBondContact O-CE 3.25Å; G18-K24 PolarHBondContact O-NZ 3.32Å; G18-G69 VanDerWaalsContact O-CA 3.27Å; G18-G69 WeakPolarHBondContact O-CA 3.29Å
19	K	95.1	Very high	93.4	Very high	49 Å²	49	27.2 Å²	27.2	21%	0.213	16%	0.155	C	C	.	.	S	Bend	trans	-55.7	151.9	-175.5	-178.1	168.2	172.1	-178	0	113.9	G21 S22 K24 E102 D106	K19-G21 PolarHBondContact O-N 2.77Å; K19-S22 VanDerWaalsContact O-CB 3.27Å; K19-S22 WeakPolarHBondContact O-CB 3.41Å; K19-S22 PolarHBondContact O-N 2.82Å; K19-S22 PolarHBondContact O-OG 2.88Å; K19-K24 PolarHBondContact O-NZ 2.68Å; K19-E102 IonicContact NZ-OE2 3.05Å; K19-E102 PolarHBondContact NZ-OE2 2.84Å; K19-D106 WeakPolarHBondContact CD-OD1 3.31Å; K19-D106 IonicContact NZ-OD1 2.68Å
20	S	95.1	Very high	94.7	Very high	56 Å²	56	26.3 Å²	26.3	39%	0.392	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	139.2	173.8	-168.5	0	0	0	0	110.8	S22 G69	S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.25Å; S20-G69 WeakPolarHBondContact CB-O 3.25Å; S20-G69 PolarHBondContact N-O 3.15Å
21	G	93.9	Very high	95.3	Very high	51 Å²	51	22.8 Å²	22.8	53%	0.526	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-3.6	-178.2	0	0	0	0	0	116	K19 G23 K132	K19-G21 PolarHBondContact O-N 2.77Å; G21-G23 PolarHBondContact O-N 2.97Å; G21-G23 VanDerWaalsContact O-N 3.15Å; G21-K132 VanDerWaalsContact O-CE 3.27Å; G21-K132 WeakPolarHBondContact O-CE 3.48Å; G21-K132 PolarHBondContact O-NZ 3.23Å
22	S	95.2	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-69	-8	-179.7	69.8	0	0	0	0	115.5	K19 S20 K24 V95 H131	K19-S22 VanDerWaalsContact O-CB 3.27Å; K19-S22 WeakPolarHBondContact O-CB 3.41Å; K19-S22 PolarHBondContact O-N 2.82Å; K19-S22 PolarHBondContact O-OG 2.88Å; S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.25Å; S22-K24 PolarHBondContact OG-NZ 3.07Å; S22-V95 WeakPolarHBondContact O-CG1 3.34Å; S22-V95 PolarHBondContact OG-O 3.23Å; S22-H131 PolarHBondContact O-CD2 3.2Å
23	G	95.2	Very high	95.4	Very high	10 Å²	10	17.2 Å²	17.2	10%	0.103	11%	0.113	C	C	.	.	S	Bend	trans	100.3	7.8	175	0	0	0	0	0	116.3	G21 T25 S26 M27	G21-G23 PolarHBondContact O-N 2.97Å; G21-G23 VanDerWaalsContact O-N 3.15Å; G23-T25 PolarHBondContact O-N 3.48Å; G23-S26 WeakPolarHBondContact O-CB 3.26Å; G23-S26 PolarHBondContact O-N 3.49Å; G23-M27 WeakPolarHBondContact O-CG 3.39Å; G23-M27 PolarHBondContact O-N 2.95Å
24	K	95.9	Very high	95.1	Very high	10 Å²	10	20.3 Å²	20.3	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-46.3	-63.7	178.4	-65.1	179.9	-58.1	-67.1	0	113.8	L16 M17 G18 K19 S22 S26 M27 R28 C67 V95	L16-K24 HydrophobicContact CD1-CG 4.41Å; L16-K24 HydrophobicContact CD2-CB 3.83Å; L16-K24 WeakPolarHBondContact CD2-O 3.34Å; L16-K24 HydrophobicContact CG-CB 3.88Å; L16-K24 HydrophobicContact CG-CD 4.39Å; L16-K24 HydrophobicContact CG-CG 4.06Å; M17-K24 VanDerWaalsContact C-CD 3.43Å; G18-K24 VanDerWaalsContact O-CE 3.3Å; G18-K24 WeakPolarHBondContact O-CE 3.25Å; G18-K24 PolarHBondContact O-NZ 3.32Å; K19-K24 PolarHBondContact O-NZ 2.68Å; S22-K24 PolarHBondContact OG-NZ 3.07Å; K24-S26 VanDerWaalsContact C-N 3.28Å; K24-S26 PolarHBondContact O-N 3.34Å; K24-M27 PolarHBondContact O-N 2.9Å; K24-R28 PolarHBondContact O-N 2.92Å; K24-R28 VanDerWaalsContact O-N 3.09Å; K24-C67 WeakPolarHBondContact CE-O 3.47Å; K24-V95 HydrophobicContact CG-CB 3.98Å; K24-V95 HydrophobicContact CG-CG2 3.79Å
25	T	96	Very high	94.9	Very high	17 Å²	17	24.6 Å²	24.6	10%	0.104	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-36.3	-179.2	-50.5	0	0	0	0	111.9	G23 M27 R28 S29 L43 T46 D66	G23-T25 PolarHBondContact O-N 3.48Å; T25-M27 PolarHBondContact O-N 2.8Å; T25-R28 PolarHBondContact O-N 3.48Å; T25-S29 WeakPolarHBondContact O-CB 3.42Å; T25-S29 PolarHBondContact O-N 3.12Å; T25-S29 PolarHBondContact O-OG 2.74Å; T25-L43 HydrophobicContact CG2-CD1 4.21Å; T25-T46 PolarHBondContact OG1-OG1 3.12Å; T25-D66 VanDerWaalsContact CA-OD2 3.23Å; T25-D66 WeakPolarHBondContact CA-OD2 3.49Å; T25-D66 VanDerWaalsContact CB-OD2 3.28Å; T25-D66 WeakPolarHBondContact CB-OD2 3.4Å; T25-D66 WeakPolarHBondContact CG2-OD2 3.38Å; T25-D66 PolarHBondContact OG1-OD1 3.43Å; T25-D66 PolarHBondContact OG1-OD2 3.46Å
26	S	96.9	Very high	94.6	Very high	22 Å²	22	27.1 Å²	27.1	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-46.5	175.1	-56.1	0	0	0	0	112	G23 K24 S29 I30	G23-S26 WeakPolarHBondContact O-CB 3.26Å; G23-S26 PolarHBondContact O-N 3.49Å; K24-S26 VanDerWaalsContact C-N 3.28Å; K24-S26 PolarHBondContact O-N 3.34Å; S26-S29 PolarHBondContact O-N 3.32Å; S26-I30 VanDerWaalsContact O-CG1 3.3Å; S26-I30 WeakPolarHBondContact O-CG1 3.32Å; S26-I30 PolarHBondContact O-N 3.18Å; S26-I30 VanDerWaalsContact O-N 3.08Å
27	M	96.4	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-47.7	176.7	-70.3	-171.8	-77.7	0	0	111.9	G23 K24 T25 S29 I30 I31 V95 L129 H131 I168 L173	G23-M27 WeakPolarHBondContact O-CG 3.39Å; G23-M27 PolarHBondContact O-N 2.95Å; K24-M27 PolarHBondContact O-N 2.9Å; T25-M27 PolarHBondContact O-N 2.8Å; M27-S29 VanDerWaalsContact C-N 3.33Å; M27-S29 PolarHBondContact O-N 3.38Å; M27-I30 PolarHBondContact O-N 3.3Å; M27-I31 WeakPolarHBondContact O-CG1 3.48Å; M27-I31 PolarHBondContact O-N 3.23Å; M27-I31 VanDerWaalsContact O-N 3.11Å; M27-V95 HydrophobicContact CE-CB 4.08Å; M27-V95 HydrophobicContact CE-CG1 3.47Å; M27-V95 VanDerWaalsContact CE-CG1 3.47Å; M27-V95 HydrophobicContact CE-CG2 3.41Å; M27-V95 VanDerWaalsContact CE-CG2 3.41Å; M27-L129 HydrophobicContact CE-CD1 4.13Å; M27-L129 HydrophobicContact SD-CD1 3.87Å; M27-H131 VanDerWaalsContact SD-CE1 3.57Å; M27-I168 HydrophobicContact CG-CG2 4.36Å; M27-L173 HydrophobicContact CB-CD1 4Å; M27-L173 HydrophobicContact CG-CD1 3.5Å; M27-L173 HydrophobicContact CG-CD2 4.4Å; M27-L173 HydrophobicContact SD-CD1 3.47Å; M27-L173 WeakPolarHBondContact SD-CD1 3.46Å
28	R	95.1	Very high	94.1	Very high	21 Å²	21	36.4 Å²	36.4	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-47	177.1	180	-177.2	63.3	101.3	1.4	111.3	L16 K24 T25 I30 I31 F32 E50 D66	L16-R28 HydrophobicContact CD2-CB 4.38Å; K24-R28 PolarHBondContact O-N 2.92Å; K24-R28 VanDerWaalsContact O-N 3.09Å; T25-R28 PolarHBondContact O-N 3.48Å; R28-I30 PolarHBondContact O-N 3.19Å; R28-I31 PolarHBondContact O-N 2.91Å; R28-F32 HydrophobicContact CG-CD2 4.15Å; R28-F32 WeakPolarHBondContact O-CB 3.47Å; R28-F32 WeakPolarHBondContact O-CD2 3.42Å; R28-F32 PolarHBondContact O-N 3.24Å; R28-E50 IonicContact CZ-OE1 2.68Å; R28-E50 IonicContact CZ-OE2 3.65Å; R28-E50 IonicContact NH1-OE1 2.8Å; R28-E50 PolarHBondContact NH1-OE1 3.12Å; R28-E50 IonicContact NH2-OE1 3.48Å; R28-E50 PolarHBondContact NH2-OE1 3.31Å; R28-E50 IonicContact NH2-OE2 2.77Å; R28-E50 PolarHBondContact NH2-OE2 2.9Å; R28-D66 IonicContact CZ-OD2 3.46Å; R28-D66 IonicContact NE-OD2 3.71Å; R28-D66 PolarHBondContact NE-OD2 2.73Å; R28-D66 IonicContact NH2-OD2 2.77Å; R28-D66 PolarHBondContact NH2-OD2 3.43Å
29	S	94.9	Very high	93.9	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-36.8	-178.2	-63.1	0	0	0	0	113	T25 S26 M27 A33 N34 Y35	T25-S29 WeakPolarHBondContact O-CB 3.42Å; T25-S29 PolarHBondContact O-N 3.12Å; T25-S29 PolarHBondContact O-OG 2.74Å; S26-S29 PolarHBondContact O-N 3.32Å; M27-S29 VanDerWaalsContact C-N 3.33Å; M27-S29 PolarHBondContact O-N 3.38Å; S29-A33 CarbonylContact O-C 3.53Å; S29-A33 VanDerWaalsContact O-C 3.23Å; S29-A33 VanDerWaalsContact O-CA 3.23Å; S29-A33 WeakPolarHBondContact O-CA 3.44Å; S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 3.21Å; S29-N34 PolarHBondContact O-N 3.37Å; S29-Y35 PolarHBondContact O-N 3.08Å; S29-Y35 VanDerWaalsContact O-N 3.11Å
30	I	94.2	Very high	93.7	Very high	10 Å²	10	37 Å²	37	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-50.1	177.2	-69.5	166	0	0	0	110.6	S26 M27 R28 T40 I168 L173	S26-I30 VanDerWaalsContact O-CG1 3.3Å; S26-I30 WeakPolarHBondContact O-CG1 3.32Å; S26-I30 PolarHBondContact O-N 3.18Å; S26-I30 VanDerWaalsContact O-N 3.08Å; M27-I30 PolarHBondContact O-N 3.3Å; R28-I30 PolarHBondContact O-N 3.19Å; I30-T40 HydrophobicContact CD1-CG2 3.89Å; I30-T40 HydrophobicContact CG1-CG2 3.91Å; I30-I168 HydrophobicContact CD1-CB 3.54Å; I30-I168 HydrophobicContact CD1-CG2 3.55Å; I30-L173 HydrophobicContact CB-CD2 4.39Å; I30-L173 HydrophobicContact CD1-CD2 4.39Å; I30-L173 HydrophobicContact CG2-CD2 4.12Å
31	I	93.8	Very high	93.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.1	-46.9	-174.8	-60.6	-60	0	0	0	111.4	M27 R28 L173 Y174 W177 T214 L216	M27-I31 WeakPolarHBondContact O-CG1 3.48Å; M27-I31 PolarHBondContact O-N 3.23Å; M27-I31 VanDerWaalsContact O-N 3.11Å; R28-I31 PolarHBondContact O-N 2.91Å; I31-L173 HydrophobicContact CD1-CD2 4.15Å; I31-L173 HydrophobicContact CD1-CG 4.16Å; I31-L173 HydrophobicContact CG1-CD2 4.32Å; I31-L173 HydrophobicContact CG1-CG 4.44Å; I31-Y174 HydrophobicContact CD1-CD1 4.03Å; I31-Y174 HydrophobicContact CD1-CE1 3.87Å; I31-Y174 HydrophobicContact CD1-CG 4.43Å; I31-W177 HydrophobicContact CD1-CG 4.43Å; I31-W177 HydrophobicContact CG1-CB 4.5Å; I31-W177 HydrophobicContact CG1-CD2 4.38Å; I31-W177 HydrophobicContact CG1-CG 3.98Å; I31-T214 HydrophobicContact CG2-CG2 4.23Å; I31-L216 HydrophobicContact CG2-CD1 4.04Å; I31-L216 HydrophobicContact CG2-CG 4.5Å
32	F	92.8	Very high	93.4	Very high	34 Å²	34	51.3 Å²	51.3	15%	0.149	23%	0.234	C	C	.	.	H	α-helix	trans	-107.8	-17.8	-168.1	-56.6	-70.1	0	0	0	114.9	R28 V54 L64 W177 T214	R28-F32 HydrophobicContact CG-CD2 4.15Å; R28-F32 WeakPolarHBondContact O-CB 3.47Å; R28-F32 WeakPolarHBondContact O-CD2 3.42Å; R28-F32 PolarHBondContact O-N 3.24Å; F32-V54 HydrophobicContact CB-CG2 4.1Å; F32-V54 HydrophobicContact CD1-CB 4.28Å; F32-V54 HydrophobicContact CD1-CG1 3.67Å; F32-V54 HydrophobicContact CD1-CG2 3.88Å; F32-V54 HydrophobicContact CE1-CG1 4.05Å; F32-V54 HydrophobicContact CG-CG2 3.98Å; F32-L64 HydrophobicContact CD2-CD1 3.61Å; F32-L64 HydrophobicContact CE1-CD1 4.49Å; F32-L64 HydrophobicContact CE2-CD1 3.46Å; F32-L64 VanDerWaalsContact CE2-CD1 3.46Å; F32-L64 HydrophobicContact CG-CD1 4.21Å; F32-L64 HydrophobicContact CZ-CD1 3.94Å; F32-W177 HydrophobicContact CE2-CD2 4.42Å; F32-W177 AromaticContact CE2-CE3 3.84Å; F32-W177 HydrophobicContact CE2-CE3 3.84Å; F32-W177 AromaticContact CE2-CH2 3.82Å; F32-W177 HydrophobicContact CE2-CH2 3.82Å; F32-W177 HydrophobicContact CE2-CZ2 4.4Å; F32-W177 AromaticContact CE2-CZ3 3.52Å; F32-W177 HydrophobicContact CE2-CZ3 3.52Å; F32-W177 AromaticContact CZ-CE3 3.79Å; F32-W177 HydrophobicContact CZ-CE3 3.79Å; F32-W177 HydrophobicContact CZ-CH2 4.47Å; F32-W177 AromaticContact CZ-CZ3 3.71Å; F32-W177 HydrophobicContact CZ-CZ3 3.71Å; F32-T214 HydrophobicContact CD1-CG2 3.64Å; F32-T214 HydrophobicContact CE1-CG2 3.82Å
33	A	90.8	Very high	93.2	Very high	49 Å²	49	53.7 Å²	53.7	41%	0.405	25%	0.247	S	C	.	.	H	α-helix	trans	-116.5	10.5	-176.1	0	0	0	0	0	114.3	S29 Y35	S29-A33 CarbonylContact O-C 3.53Å; S29-A33 VanDerWaalsContact O-C 3.23Å; S29-A33 VanDerWaalsContact O-CA 3.23Å; S29-A33 WeakPolarHBondContact O-CA 3.44Å; S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.49Å; S29-A33 PolarHBondContact O-N 3.21Å; A33-Y35 HydrophobicContact CB-CD2 4Å; A33-Y35 HydrophobicContact CB-CE2 4.3Å; A33-Y35 WeakPolarHBondContact O-CD2 3.29Å; A33-Y35 PolarHBondContact O-N 2.95Å
34	N	91.1	Very high	93	Very high	87 Å²	87	56.3 Å²	56.3	47%	0.465	27%	0.274	S	S	.	.			trans	62.7	24.2	176.8	-62	-47.8	0	0	0	114.4	S29 K240 L244	S29-N34 PolarHBondContact O-N 3.37Å; N34-K240 PolarHBondContact OD1-NZ 3.34Å; N34-L244 HydrophobicContact CB-CD2 3.52Å; N34-L244 WeakPolarHBondContact O-CD2 3.18Å
35	Y	91.8	Very high	92.8	Very high	93 Å²	93	59 Å²	59	37%	0.365	30%	0.297	S	S	.	.			trans	-72.7	147.4	173.3	-84.5	-126.8	0	0	0	110.6	S29 A33 D39 L43	S29-Y35 PolarHBondContact O-N 3.08Å; S29-Y35 VanDerWaalsContact O-N 3.11Å; A33-Y35 HydrophobicContact CB-CD2 4Å; A33-Y35 HydrophobicContact CB-CE2 4.3Å; A33-Y35 WeakPolarHBondContact O-CD2 3.29Å; A33-Y35 PolarHBondContact O-N 2.95Å; Y35-D39 HydrophobicContact CD1-CB 3.81Å; Y35-D39 HydrophobicContact CE1-CB 4.32Å; Y35-L43 HydrophobicContact CE1-CD2 4.02Å
36	I	91.7	Very high	92.5	Very high	54 Å²	54	59.1 Å²	59.1	28%	0.277	30%	0.298	S	S	.	.			trans	-90.6	155	163.1	57.9	167.6	0	0	0	109.8	R38 D39 L244	I36-R38 HydrophobicContact CD1-CB 4.18Å; I36-R38 HydrophobicContact CG1-CB 4.48Å; I36-R38 PolarHBondContact O-N 3.45Å; I36-D39 HydrophobicContact CG1-CB 4.05Å; I36-D39 VanDerWaalsContact CG1-CG 3.43Å; I36-D39 WeakPolarHBondContact CG1-OD2 3.37Å; I36-D39 PolarHBondContact O-N 3.38Å; I36-L244 HydrophobicContact CG2-CD1 3.84Å
37	A	91.7	Very high	92.1	Very high	16 Å²	16	64.6 Å²	64.6	13%	0.132	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.9	-178.8	0	0	0	0	0	113.8	D39 T40 I168 W169	A37-D39 PolarHBondContact O-N 3.25Å; A37-T40 PolarHBondContact O-OG1 2.82Å; A37-I168 HydrophobicContact CB-CB 4.34Å; A37-I168 HydrophobicContact CB-CD1 4.12Å; A37-I168 HydrophobicContact CB-CG1 4.17Å; A37-I168 WeakPolarHBondContact CB-O 3.49Å; A37-W169 HydrophobicContact CB-CD2 4.17Å; A37-W169 HydrophobicContact CB-CE3 3.85Å; A37-W169 HydrophobicContact CB-CH2 4.28Å; A37-W169 HydrophobicContact CB-CZ3 3.92Å
38	R	91.6	Very high	91.8	Very high	180 Å²	180	67.1 Å²	67.1	68%	0.679	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.1	177.3	-174.7	178.1	177.2	-177.4	-0.2	113.3	I36 T40	I36-R38 HydrophobicContact CD1-CB 4.18Å; I36-R38 HydrophobicContact CG1-CB 4.48Å; I36-R38 PolarHBondContact O-N 3.45Å; R38-T40 VanDerWaalsContact C-N 3.29Å; R38-T40 PolarHBondContact O-N 3.06Å
39	D	91.9	Very high	91.7	Very high	50 Å²	50	67.1 Å²	67.1	27%	0.267	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-76.8	-20.4	-173.9	-69.1	-14.9	0	0	0	112	Y35 I36 A37 R41 R42	Y35-D39 HydrophobicContact CD1-CB 3.81Å; Y35-D39 HydrophobicContact CE1-CB 4.32Å; I36-D39 HydrophobicContact CG1-CB 4.05Å; I36-D39 VanDerWaalsContact CG1-CG 3.43Å; I36-D39 WeakPolarHBondContact CG1-OD2 3.37Å; I36-D39 PolarHBondContact O-N 3.38Å; A37-D39 PolarHBondContact O-N 3.25Å; D39-R41 PolarHBondContact O-N 3.44Å; D39-R42 PolarHBondContact O-N 3.47Å; D39-R42 VanDerWaalsContact O-N 3.12Å
40	T	92.6	Very high	91.5	Very high	11 Å²	11	70.9 Å²	70.9	7%	0.067	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.3	179.2	66.7	0	0	0	0	113	I30 A37 R38 R42 L43	I30-T40 HydrophobicContact CD1-CG2 3.89Å; I30-T40 HydrophobicContact CG1-CG2 3.91Å; A37-T40 PolarHBondContact O-OG1 2.82Å; R38-T40 VanDerWaalsContact C-N 3.29Å; R38-T40 PolarHBondContact O-N 3.06Å; T40-R42 PolarHBondContact O-N 3.38Å; T40-R42 VanDerWaalsContact O-N 3.13Å; T40-L43 HydrophobicContact CG2-CD1 4.27Å; T40-L43 VanDerWaalsContact O-CB 3.29Å; T40-L43 WeakPolarHBondContact O-CB 3.41Å; T40-L43 WeakPolarHBondContact O-CG 3.24Å; T40-L43 PolarHBondContact O-N 2.68Å
41	R	89.3	Confident	91.4	Very high	191 Å²	191	75 Å²	75	72%	0.721	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.8	-19.9	174.5	-63.1	-177.6	-177.3	-173.6	0.2	113.6	D39	D39-R41 PolarHBondContact O-N 3.44Å
42	R	92	Very high	91.3	Very high	216 Å²	216	76.4 Å²	76.4	82%	0.815	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-89	-7.4	178.9	-60.4	178.5	179.9	170.9	-0.4	112.8	D39 T40 G44	D39-R42 PolarHBondContact O-N 3.47Å; D39-R42 VanDerWaalsContact O-N 3.12Å; T40-R42 PolarHBondContact O-N 3.38Å; T40-R42 VanDerWaalsContact O-N 3.13Å; R42-G44 PolarHBondContact O-N 3.18Å
43	L	92.1	Very high	91.2	Very high	51 Å²	51	81.3 Å²	81.3	27%	0.267	41%	0.409	S	S	.	.			trans	-71.5	127.9	179.2	-63.5	169.7	0	0	0	109.2	T25 Y35 T40	T25-L43 HydrophobicContact CG2-CD1 4.21Å; Y35-L43 HydrophobicContact CE1-CD2 4.02Å; T40-L43 HydrophobicContact CG2-CD1 4.27Å; T40-L43 VanDerWaalsContact O-CB 3.29Å; T40-L43 WeakPolarHBondContact O-CB 3.41Å; T40-L43 WeakPolarHBondContact O-CG 3.24Å; T40-L43 PolarHBondContact O-N 2.68Å
44	G	90.8	Very high	91.1	Very high	64 Å²	64	80 Å²	80	66%	0.66	40%	0.396	S	S	*	.			trans	-77	175.4	172.3	0	0	0	0	0	112.2	R42 T46	R42-G44 PolarHBondContact O-N 3.18Å; G44-T46 PolarHBondContact O-N 2.92Å
45	A	90.6	Very high	90.9	Very high	66 Å²	66	84 Å²	84	55%	0.545	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.5	132.1	172.3	0	0	0	0	0	110.5	I47	A45-I47 PolarHBondContact O-N 3.39Å
46	T	89.5	Confident	90.5	Very high	20 Å²	20	79.7 Å²	79.7	12%	0.123	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-65.6	126.8	174.1	-41.6	0	0	0	0	109.5	T25 G44 E50	T25-T46 PolarHBondContact OG1-OG1 3.12Å; G44-T46 PolarHBondContact O-N 2.92Å; T46-E50 HydrophobicContact CG2-CB 3.98Å
47	I	89.3	Confident	90	Very high	138 Å²	138	77.7 Å²	77.7	71%	0.708	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-91.6	120.2	175.4	-57.9	175.4	0	0	0	107	A45 V49 F73	A45-I47 PolarHBondContact O-N 3.39Å; I47-V49 PolarHBondContact O-N 3.33Å; I47-F73 HydrophobicContact CG2-CZ 4.09Å
48	D	90.3	Very high	89.2	Confident	52 Å²	52	77.9 Å²	77.9	28%	0.278	38%	0.381	S	S	.	.	S	Bend	trans	50.9	-127.3	-177.5	-161.2	14.5	0	0	0	112.5	G68 F73 Y77	D48-G68 WeakPolarHBondContact O-CA 3.15Å; D48-G68 PolarHBondContact O-N 3.22Å; D48-F73 HydrophobicContact CB-CE1 4.49Å; D48-Y77 VanDerWaalsContact CA-OH 3.24Å; D48-Y77 WeakPolarHBondContact CA-OH 3.34Å; D48-Y77 PolarHBondContact O-OH 2.54Å; D48-Y77 WeakPolarHBondContact OD1-CE1 3.36Å; D48-Y77 PolarHBondContact OD1-OH 3.48Å
49	V	92	Very high	88.7	Confident	21 Å²	21	70.3 Å²	70.3	13%	0.127	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.4	-178.7	-174.8	0	0	0	0	111.3	I47 W65 D66 Y77 I85	I47-V49 PolarHBondContact O-N 3.33Å; V49-W65 HydrophobicContact CG1-CB 4.04Å; V49-W65 HydrophobicContact CG1-CD2 4.37Å; V49-W65 HydrophobicContact CG1-CE3 3.97Å; V49-W65 HydrophobicContact CG1-CG 4.46Å; V49-D66 WeakPolarHBondContact CA-O 3.48Å; V49-Y77 HydrophobicContact CG2-CE1 3.69Å; V49-I85 HydrophobicContact CG2-CD1 3.84Å
50	E	92.6	Very high	88.4	Confident	86 Å²	86	68 Å²	68	40%	0.402	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.8	169	-164.9	-169.9	139.6	0	0	110.4	R28 T46 D66	R28-E50 IonicContact CZ-OE1 2.68Å; R28-E50 IonicContact CZ-OE2 3.65Å; R28-E50 IonicContact NH1-OE1 2.8Å; R28-E50 PolarHBondContact NH1-OE1 3.12Å; R28-E50 IonicContact NH2-OE1 3.48Å; R28-E50 PolarHBondContact NH2-OE1 3.31Å; R28-E50 IonicContact NH2-OE2 2.77Å; R28-E50 PolarHBondContact NH2-OE2 2.9Å; T46-E50 HydrophobicContact CG2-CB 3.98Å; E50-D66 HydrophobicContact CB-CB 4.33Å; E50-D66 PolarHBondContact N-O 3.42Å; E50-D66 PolarHBondContact O-N 3.17Å
51	H	91.9	Very high	88.3	Confident	96 Å²	96	68.4 Å²	68.4	44%	0.444	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.1	178.9	-59.6	-69.4	0	0	0	111.6	W65	H51-W65 AromaticContact CE1-CD2 3.5Å; H51-W65 AromaticContact CE1-CE2 3.61Å; H51-W65 AromaticContact CE1-CE3 3.5Å; H51-W65 VanDerWaalsContact CE1-CE3 3.5Å; H51-W65 AromaticContact CE1-CH2 3.71Å; H51-W65 AromaticContact CE1-CZ2 3.73Å; H51-W65 AromaticContact CE1-CZ3 3.59Å; H51-W65 AromaticContact ND1-CD1 3.99Å; H51-W65 AromaticContact ND1-CD2 3.55Å; H51-W65 AromaticContact ND1-CE2 3.55Å; H51-W65 AromaticContact ND1-CG 3.82Å; H51-W65 AromaticContact ND1-NE1 3.81Å
52	S	91.4	Very high	88.4	Confident	29 Å²	29	59.4 Å²	59.4	20%	0.203	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.9	172.4	-171.1	0	0	0	0	110.9	L64	S52-L64 PolarHBondContact N-O 2.94Å; S52-L64 PolarHBondContact O-N 3.35Å
53	H	90.4	Very high	88.5	Confident	137 Å²	137	50.3 Å²	50.3	63%	0.634	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	101.1	176.4	-62.8	-74.6	0	0	0	109.5	N63	H53-N63 PolarHBondContact CE1-OD1 3.42Å; H53-N63 PolarHBondContact ND1-OD1 3.04Å
54	V	88.3	Confident	88.7	Confident	21 Å²	21	48 Å²	48	13%	0.127	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.1	179.4	-179	0	0	0	0	108.8	F32 V61 L62 L64	F32-V54 HydrophobicContact CB-CG2 4.1Å; F32-V54 HydrophobicContact CD1-CB 4.28Å; F32-V54 HydrophobicContact CD1-CG1 3.67Å; F32-V54 HydrophobicContact CD1-CG2 3.88Å; F32-V54 HydrophobicContact CE1-CG1 4.05Å; F32-V54 HydrophobicContact CG-CG2 3.98Å; V54-V61 WeakPolarHBondContact O-CA 3.45Å; V54-L62 HydrophobicContact CB-CB 4.32Å; V54-L62 PolarHBondContact N-O 3.46Å; V54-L62 PolarHBondContact O-N 3.27Å; V54-L64 HydrophobicContact CG2-CD1 3.96Å
55	R	86.6	Confident	89	Confident	173 Å²	173	46.7 Å²	46.7	65%	0.653	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	124	169.7	-170	178.7	-64.9	-143.9	1.6	108.6
56	F	83.8	Confident	89.2	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.6	-178.3	-157.1	-90.4	0	0	0	108.5	G58 L60 L62 V181 I185 E211 T214 L216 I218	F56-G58 PolarHBondContact O-N 3.3Å; F56-L60 HydrophobicContact CB-CB 4.35Å; F56-L60 HydrophobicContact CB-CD2 4.3Å; F56-L60 HydrophobicContact CB-CG 4.39Å; F56-L60 HydrophobicContact CD1-CD2 4.33Å; F56-L60 PolarHBondContact N-O 2.95Å; F56-L60 WeakPolarHBondContact O-CB 3.5Å; F56-L60 PolarHBondContact O-N 3.02Å; F56-L60 VanDerWaalsContact O-N 3.11Å; F56-L62 HydrophobicContact CB-CD1 4.38Å; F56-L62 HydrophobicContact CB-CG 4.41Å; F56-L62 HydrophobicContact CD2-CD1 4.4Å; F56-L62 HydrophobicContact CG-CD1 4.48Å; F56-V181 HydrophobicContact CD1-CG1 3.89Å; F56-V181 HydrophobicContact CD2-CG1 4.36Å; F56-V181 HydrophobicContact CE1-CG1 3.39Å; F56-V181 HydrophobicContact CE2-CG1 3.91Å; F56-V181 HydrophobicContact CG-CG1 4.36Å; F56-V181 HydrophobicContact CZ-CG1 3.4Å; F56-V181 VanDerWaalsContact CZ-CG1 3.4Å; F56-I185 HydrophobicContact CE1-CD1 4.08Å; F56-I185 HydrophobicContact CE1-CG1 4.33Å; F56-E211 HydrophobicContact CD1-CG 4.22Å; F56-E211 HydrophobicContact CD2-CB 4.5Å; F56-E211 HydrophobicContact CD2-CG 3.82Å; F56-E211 HydrophobicContact CE1-CB 3.96Å; F56-E211 HydrophobicContact CE1-CG 3.88Å; F56-E211 HydrophobicContact CE2-CB 3.67Å; F56-E211 HydrophobicContact CE2-CG 3.47Å; F56-E211 VanDerWaalsContact CE2-CG 3.47Å; F56-E211 HydrophobicContact CG-CG 4.18Å; F56-E211 HydrophobicContact CZ-CB 3.34Å; F56-E211 HydrophobicContact CZ-CG 3.5Å; F56-E211 VanDerWaalsContact CZ-CG 3.5Å; F56-T214 HydrophobicContact CE2-CG2 4.29Å; F56-L216 HydrophobicContact CE2-CD1 4.35Å; F56-I218 HydrophobicContact CE1-CG1 4.26Å; F56-I218 HydrophobicContact CZ-CG1 4.44Å
57	L	81.5	Confident	89.5	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.063	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	15.5	-179.4	-67.1	173.3	0	0	0	116.4	N59 I185 E211 I218 T274	L57-N59 PolarHBondContact O-N 2.99Å; L57-N59 PolarHBondContact O-OD1 3.17Å; L57-I185 HydrophobicContact CD1-CD1 4.23Å; L57-I185 HydrophobicContact CD1-CG1 4.14Å; L57-I185 HydrophobicContact CD1-CG2 4.13Å; L57-E211 HydrophobicContact CD2-CG 4.47Å; L57-I218 HydrophobicContact CD1-CD1 4.02Å; L57-I218 HydrophobicContact CD1-CG1 4.35Å; L57-I218 HydrophobicContact CD1-CG2 4.07Å; L57-I218 HydrophobicContact CD2-CD1 3.4Å; L57-I218 VanDerWaalsContact CD2-CD1 3.4Å; L57-I218 HydrophobicContact CG-CD1 4.05Å; L57-T274 HydrophobicContact CD2-CG2 3.45Å; L57-T274 VanDerWaalsContact CD2-CG2 3.45Å
58	G	75.4	Confident	89.7	Confident	20 Å²	20	36.2 Å²	36.2	21%	0.206	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-38.3	179.5	0	0	0	0	0	115.2	F56	F56-G58 PolarHBondContact O-N 3.3Å
59	N	79.5	Confident	89.7	Confident	22 Å²	22	34 Å²	34	12%	0.118	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-13.4	-176.8	69	-23.7	0	0	0	114.6	A9 M10 L57 D308	A9-N59 CarbonylContact C-O 3.57Å; A9-N59 VanDerWaalsContact CA-O 3.24Å; A9-N59 WeakPolarHBondContact CA-O 3.35Å; A9-N59 WeakPolarHBondContact CB-O 3.5Å; M10-N59 PolarHBondContact N-O 3.41Å; L57-N59 PolarHBondContact O-N 2.99Å; L57-N59 PolarHBondContact O-OD1 3.17Å; N59-D308 PolarHBondContact ND2-OD2 3.02Å
60	L	85.7	Confident	89.7	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.9	176.6	178.2	65	0	0	0	110	K12 F56 L62 L184 I185	K12-L60 HydrophobicContact CB-CD1 4.13Å; K12-L60 HydrophobicContact CG-CD1 3.5Å; F56-L60 HydrophobicContact CB-CB 4.35Å; F56-L60 HydrophobicContact CB-CD2 4.3Å; F56-L60 HydrophobicContact CB-CG 4.39Å; F56-L60 HydrophobicContact CD1-CD2 4.33Å; F56-L60 PolarHBondContact N-O 2.95Å; F56-L60 WeakPolarHBondContact O-CB 3.5Å; F56-L60 PolarHBondContact O-N 3.02Å; F56-L60 VanDerWaalsContact O-N 3.11Å; L60-L62 HydrophobicContact CD1-CD2 4.3Å; L60-L62 HydrophobicContact CD2-CD2 3.92Å; L60-L62 HydrophobicContact CD2-CG 4.48Å; L60-L62 HydrophobicContact CG-CD2 4.03Å; L60-L62 HydrophobicContact CG-CG 4.45Å; L60-L184 HydrophobicContact CD2-CB 4.32Å; L60-I185 HydrophobicContact CD2-CG1 4.46Å
61	V	90.8	Very high	89.7	Confident	19 Å²	19	35.1 Å²	35.1	12%	0.115	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.4	171	-180	0	0	0	0	108.3	A9 M10 K11 K12 V54	A9-V61 HydrophobicContact CB-CG2 3.86Å; M10-V61 PolarHBondContact O-N 2.93Å; K11-V61 WeakPolarHBondContact CA-O 3.22Å; K11-V61 HydrophobicContact CG-CB 4.24Å; K12-V61 PolarHBondContact N-O 2.99Å; V54-V61 WeakPolarHBondContact O-CA 3.45Å
62	L	92.2	Very high	89.6	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.6	173.2	-57.6	179.1	0	0	0	108.3	K12 V14 V54 F56 L60 L64 V181 L184	K12-L62 HydrophobicContact CB-CD2 4.32Å; V14-L62 HydrophobicContact CG2-CD2 4.38Å; V54-L62 HydrophobicContact CB-CB 4.32Å; V54-L62 PolarHBondContact N-O 3.46Å; V54-L62 PolarHBondContact O-N 3.27Å; F56-L62 HydrophobicContact CB-CD1 4.38Å; F56-L62 HydrophobicContact CB-CG 4.41Å; F56-L62 HydrophobicContact CD2-CD1 4.4Å; F56-L62 HydrophobicContact CG-CD1 4.48Å; L60-L62 HydrophobicContact CD1-CD2 4.3Å; L60-L62 HydrophobicContact CD2-CD2 3.92Å; L60-L62 HydrophobicContact CD2-CG 4.48Å; L60-L62 HydrophobicContact CG-CD2 4.03Å; L60-L62 HydrophobicContact CG-CG 4.45Å; L62-L64 PolarHBondContact O-N 2.88Å; L62-V181 HydrophobicContact CD1-CG2 4.31Å; L62-L184 HydrophobicContact CD2-CB 4.5Å; L62-L184 HydrophobicContact CD2-CD1 3.65Å
63	N	94.8	Very high	89.6	Confident	25 Å²	25	35 Å²	35	13%	0.134	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	93.8	169.6	-60	-33.7	0	0	0	107.1	K12 V14 H53	K12-N63 PolarHBondContact O-N 3.5Å; V14-N63 PolarHBondContact N-O 3.16Å; H53-N63 PolarHBondContact CE1-OD1 3.42Å; H53-N63 PolarHBondContact ND1-OD1 3.04Å
64	L	95.2	Very high	89.6	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.9	176.9	-75.6	163.1	0	0	0	109.6	V14 F32 S52 V54 L62 W177	V14-L64 HydrophobicContact CB-CD2 3.78Å; V14-L64 HydrophobicContact CG1-CD2 3.67Å; V14-L64 WeakPolarHBondContact O-CA 3.46Å; F32-L64 HydrophobicContact CD2-CD1 3.61Å; F32-L64 HydrophobicContact CE1-CD1 4.49Å; F32-L64 HydrophobicContact CE2-CD1 3.46Å; F32-L64 VanDerWaalsContact CE2-CD1 3.46Å; F32-L64 HydrophobicContact CG-CD1 4.21Å; F32-L64 HydrophobicContact CZ-CD1 3.94Å; S52-L64 PolarHBondContact N-O 2.94Å; S52-L64 PolarHBondContact O-N 3.35Å; V54-L64 HydrophobicContact CG2-CD1 3.96Å; L62-L64 PolarHBondContact O-N 2.88Å; L64-W177 HydrophobicContact CD2-CH2 3.99Å; L64-W177 HydrophobicContact CD2-CZ3 4.12Å
65	W	96.7	Very high	89.8	Confident	37 Å²	37	33 Å²	33	14%	0.14	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.5	176	-69.3	47.8	0	0	0	107.1	K13 V14 L15 L16 V49 H51 C67 I85	K13-W65 HydrophobicContact CD-CZ2 4.37Å; V14-W65 PolarHBondContact O-N 2.9Å; L15-W65 HydrophobicContact CD2-CB 3.63Å; L15-W65 HydrophobicContact CD2-CD2 4.2Å; L15-W65 HydrophobicContact CD2-CE3 4.29Å; L15-W65 HydrophobicContact CD2-CG 3.93Å; L16-W65 PolarHBondContact N-O 3.05Å; V49-W65 HydrophobicContact CG1-CB 4.04Å; V49-W65 HydrophobicContact CG1-CD2 4.37Å; V49-W65 HydrophobicContact CG1-CE3 3.97Å; V49-W65 HydrophobicContact CG1-CG 4.46Å; H51-W65 AromaticContact CE1-CD2 3.5Å; H51-W65 AromaticContact CE1-CE2 3.61Å; H51-W65 AromaticContact CE1-CE3 3.5Å; H51-W65 VanDerWaalsContact CE1-CE3 3.5Å; H51-W65 AromaticContact CE1-CH2 3.71Å; H51-W65 AromaticContact CE1-CZ2 3.73Å; H51-W65 AromaticContact CE1-CZ3 3.59Å; H51-W65 AromaticContact ND1-CD1 3.99Å; H51-W65 AromaticContact ND1-CD2 3.55Å; H51-W65 AromaticContact ND1-CE2 3.55Å; H51-W65 AromaticContact ND1-CG 3.82Å; H51-W65 AromaticContact ND1-NE1 3.81Å; W65-C67 PolarHBondContact O-N 3.15Å; W65-I85 HydrophobicContact CE3-CD1 3.98Å; W65-I85 HydrophobicContact CZ3-CD1 3.87Å
66	D	96.4	Very high	90	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	99	177	-171.5	3.9	0	0	0	108.4	T25 R28 V49 E50	T25-D66 VanDerWaalsContact CA-OD2 3.23Å; T25-D66 WeakPolarHBondContact CA-OD2 3.49Å; T25-D66 VanDerWaalsContact CB-OD2 3.28Å; T25-D66 WeakPolarHBondContact CB-OD2 3.4Å; T25-D66 WeakPolarHBondContact CG2-OD2 3.38Å; T25-D66 PolarHBondContact OG1-OD1 3.43Å; T25-D66 PolarHBondContact OG1-OD2 3.46Å; R28-D66 IonicContact CZ-OD2 3.46Å; R28-D66 IonicContact NE-OD2 3.71Å; R28-D66 PolarHBondContact NE-OD2 2.73Å; R28-D66 IonicContact NH2-OD2 2.77Å; R28-D66 PolarHBondContact NH2-OD2 3.43Å; V49-D66 WeakPolarHBondContact CA-O 3.48Å; E50-D66 HydrophobicContact CB-CB 4.33Å; E50-D66 PolarHBondContact N-O 3.42Å; E50-D66 PolarHBondContact O-N 3.17Å
67	C	94.6	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.3	-174	-60.7	0	0	0	0	110.9	L16 M17 K24 W65 G69 Y77	L16-C67 PolarHBondContact O-N 3.04Å; M17-C67 HydrophobicContact CE-CB 4.45Å; M17-C67 HydrophobicContact CG-CB 4.08Å; K24-C67 WeakPolarHBondContact CE-O 3.47Å; W65-C67 PolarHBondContact O-N 3.15Å; C67-G69 PolarHBondContact O-N 3.33Å; C67-Y77 HydrophobicContact CB-CE2 3.91Å
68	G	93.3	Very high	90.8	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	15%	0.152	C	C	.	.			trans	-60.6	125.6	174	0	0	0	0	0	111.1	D48 Q70 Y77	D48-G68 WeakPolarHBondContact O-CA 3.15Å; D48-G68 PolarHBondContact O-N 3.22Å; G68-Q70 VanDerWaalsContact C-N 3.32Å; G68-Q70 PolarHBondContact O-N 2.98Å; G68-Y77 WeakPolarHBondContact O-CE2 3.47Å
69	G	91.8	Very high	91.5	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	17%	0.171	C	C	.	.			trans	-91.1	20.6	-173.7	0	0	0	0	0	115.1	G18 S20 C67	G18-G69 VanDerWaalsContact O-CA 3.27Å; G18-G69 WeakPolarHBondContact O-CA 3.29Å; S20-G69 WeakPolarHBondContact CB-O 3.25Å; S20-G69 PolarHBondContact N-O 3.15Å; C67-G69 PolarHBondContact O-N 3.33Å
70	Q	91.8	Very high	92	Very high	69 Å²	69	36.4 Å²	36.4	32%	0.322	20%	0.2	S	C	.	.			trans	-76.7	144.3	176.9	-54.3	-179	34.8	0	0	109	G68 T72 F73 M74	G68-Q70 VanDerWaalsContact C-N 3.32Å; G68-Q70 PolarHBondContact O-N 2.98Å; Q70-T72 VanDerWaalsContact C-N 3.27Å; Q70-T72 PolarHBondContact O-N 2.71Å; Q70-F73 HydrophobicContact CB-CD2 3.69Å; Q70-F73 HydrophobicContact CB-CE2 4.2Å; Q70-F73 HydrophobicContact CB-CG 4.49Å; Q70-F73 HydrophobicContact CG-CD2 3.96Å; Q70-F73 HydrophobicContact CG-CE2 4.12Å; Q70-F73 PolarHBondContact O-N 3.21Å; Q70-M74 PolarHBondContact O-N 2.95Å
71	D	90.8	Very high	92.1	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-53.7	-43.7	-172.8	-64.6	-16.2	0	0	0	112.6	F73 M74 E75 K105 Y109	D71-F73 VanDerWaalsContact C-N 3.33Å; D71-F73 PolarHBondContact O-N 3.4Å; D71-M74 PolarHBondContact O-N 2.92Å; D71-E75 WeakPolarHBondContact O-CG 3.42Å; D71-E75 PolarHBondContact O-N 3.26Å; D71-K105 IonicContact OD1-NZ 3.88Å; D71-K105 PolarHBondContact OD1-NZ 3.2Å; D71-K105 IonicContact OD2-NZ 2.62Å; D71-K105 PolarHBondContact OD2-NZ 2.79Å; D71-Y109 PolarHBondContact OD1-OH 2.88Å
72	T	91.6	Very high	92.1	Very high	83 Å²	83	40.6 Å²	40.6	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-39	178	51.2	0	0	0	0	112.9	Q70 N76	Q70-T72 VanDerWaalsContact C-N 3.27Å; Q70-T72 PolarHBondContact O-N 2.71Å; T72-N76 VanDerWaalsContact O-CG 3.23Å; T72-N76 PolarHBondContact O-N 3.35Å; T72-N76 PolarHBondContact O-ND2 3.44Å; T72-N76 VanDerWaalsContact O-ND2 3.14Å
73	F	91.6	Very high	91.9	Very high	39 Å²	39	45.7 Å²	45.7	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-72.9	-41.1	176.5	-62.5	-43.7	0	0	0	111.5	I47 D48 Q70 D71 E75 N76 Y77	I47-F73 HydrophobicContact CG2-CZ 4.09Å; D48-F73 HydrophobicContact CB-CE1 4.49Å; Q70-F73 HydrophobicContact CB-CD2 3.69Å; Q70-F73 HydrophobicContact CB-CE2 4.2Å; Q70-F73 HydrophobicContact CB-CG 4.49Å; Q70-F73 HydrophobicContact CG-CD2 3.96Å; Q70-F73 HydrophobicContact CG-CE2 4.12Å; Q70-F73 PolarHBondContact O-N 3.21Å; D71-F73 VanDerWaalsContact C-N 3.33Å; D71-F73 PolarHBondContact O-N 3.4Å; F73-E75 PolarHBondContact O-N 2.95Å; F73-N76 WeakPolarHBondContact O-CB 3.48Å; F73-N76 PolarHBondContact O-N 3.22Å; F73-N76 VanDerWaalsContact O-N 3.16Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 VanDerWaalsContact O-CD2 3.22Å; F73-Y77 WeakPolarHBondContact O-CD2 3.45Å; F73-Y77 PolarHBondContact O-N 3.17Å
74	M	90	Very high	91.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-45.3	176.6	-70.3	-67.4	-70	0	0	111.6	M17 Q70 D71 N76 Y77 F78 Y109	M17-M74 HydrophobicContact CE-CE 4.21Å; M17-M74 HydrophobicContact CE-SD 3.99Å; Q70-M74 PolarHBondContact O-N 2.95Å; D71-M74 PolarHBondContact O-N 2.92Å; M74-N76 VanDerWaalsContact C-N 3.32Å; M74-N76 PolarHBondContact O-N 3.08Å; M74-Y77 WeakPolarHBondContact O-CB 3.49Å; M74-Y77 PolarHBondContact O-N 3.35Å; M74-Y77 VanDerWaalsContact O-N 3.15Å; M74-Y77 HydrophobicContact SD-CD2 4.02Å; M74-Y77 HydrophobicContact SD-CE2 4.4Å; M74-F78 HydrophobicContact CB-CE2 4.2Å; M74-F78 HydrophobicContact CE-CE2 3.9Å; M74-F78 HydrophobicContact CE-CZ 3.73Å; M74-F78 WeakPolarHBondContact O-CD2 3.35Å; M74-F78 WeakPolarHBondContact O-CE2 3.17Å; M74-F78 PolarHBondContact O-N 3.02Å; M74-Y109 HydrophobicContact CB-CD1 4.27Å; M74-Y109 HydrophobicContact CB-CE1 3.92Å; M74-Y109 HydrophobicContact CE-CD1 4.12Å; M74-Y109 HydrophobicContact CE-CG 4.15Å
75	E	90.9	Very high	91.7	Very high	114 Å²	114	49 Å²	49	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-41.2	175.1	-72.8	177.2	-177	0	0	112.3	D71 F73 Y77 F78 T79	D71-E75 WeakPolarHBondContact O-CG 3.42Å; D71-E75 PolarHBondContact O-N 3.26Å; F73-E75 PolarHBondContact O-N 2.95Å; E75-Y77 VanDerWaalsContact C-N 3.31Å; E75-Y77 PolarHBondContact O-N 3.26Å; E75-F78 PolarHBondContact O-N 3.06Å; E75-T79 WeakPolarHBondContact O-CB 3.36Å; E75-T79 WeakPolarHBondContact O-CG2 3.36Å; E75-T79 PolarHBondContact O-N 3.12Å; E75-T79 PolarHBondContact O-OG1 3Å
76	N	91.4	Very high	91.7	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-35.2	175.5	-71.9	-25.4	0	0	0	112.5	T72 F73 M74 F78 S80 Q81	T72-N76 VanDerWaalsContact O-CG 3.23Å; T72-N76 PolarHBondContact O-N 3.35Å; T72-N76 PolarHBondContact O-ND2 3.44Å; T72-N76 VanDerWaalsContact O-ND2 3.14Å; F73-N76 WeakPolarHBondContact O-CB 3.48Å; F73-N76 PolarHBondContact O-N 3.22Å; F73-N76 VanDerWaalsContact O-N 3.16Å; M74-N76 VanDerWaalsContact C-N 3.32Å; M74-N76 PolarHBondContact O-N 3.08Å; N76-F78 VanDerWaalsContact C-N 3.33Å; N76-S80 PolarHBondContact O-N 2.88Å; N76-S80 VanDerWaalsContact O-N 3.08Å; N76-Q81 PolarHBondContact O-N 2.85Å
77	Y	92.3	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-34.1	174.8	-58.8	-32.7	0	0	0	112.9	M17 D48 V49 C67 G68 F73 M74 E75 R82 I85	M17-Y77 HydrophobicContact CE-CD2 3.95Å; D48-Y77 VanDerWaalsContact CA-OH 3.24Å; D48-Y77 WeakPolarHBondContact CA-OH 3.34Å; D48-Y77 PolarHBondContact O-OH 2.54Å; D48-Y77 WeakPolarHBondContact OD1-CE1 3.36Å; D48-Y77 PolarHBondContact OD1-OH 3.48Å; V49-Y77 HydrophobicContact CG2-CE1 3.69Å; C67-Y77 HydrophobicContact CB-CE2 3.91Å; G68-Y77 WeakPolarHBondContact O-CE2 3.47Å; F73-Y77 HydrophobicContact CB-CE2 3.98Å; F73-Y77 VanDerWaalsContact O-CD2 3.22Å; F73-Y77 WeakPolarHBondContact O-CD2 3.45Å; F73-Y77 PolarHBondContact O-N 3.17Å; M74-Y77 WeakPolarHBondContact O-CB 3.49Å; M74-Y77 PolarHBondContact O-N 3.35Å; M74-Y77 VanDerWaalsContact O-N 3.15Å; M74-Y77 HydrophobicContact SD-CD2 4.02Å; M74-Y77 HydrophobicContact SD-CE2 4.4Å; E75-Y77 VanDerWaalsContact C-N 3.31Å; E75-Y77 PolarHBondContact O-N 3.26Å; Y77-R82 WeakPolarHBondContact O-CA 3.42Å; Y77-R82 PolarHBondContact O-N 2.9Å; Y77-I85 HydrophobicContact CD1-CD1 4.05Å; Y77-I85 HydrophobicContact CD1-CG1 3.82Å; Y77-I85 HydrophobicContact CE1-CD1 4.28Å; Y77-I85 HydrophobicContact CG-CG1 4.31Å
78	F	90.3	Very high	91.6	Very high	27 Å²	27	60.5 Å²	60.5	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-85.7	-20.7	179.9	-58.8	-52.5	0	0	0	114.1	M74 E75 N76 R82 F86 Y109 C113	M74-F78 HydrophobicContact CB-CE2 4.2Å; M74-F78 HydrophobicContact CE-CE2 3.9Å; M74-F78 HydrophobicContact CE-CZ 3.73Å; M74-F78 WeakPolarHBondContact O-CD2 3.35Å; M74-F78 WeakPolarHBondContact O-CE2 3.17Å; M74-F78 PolarHBondContact O-N 3.02Å; E75-F78 PolarHBondContact O-N 3.06Å; N76-F78 VanDerWaalsContact C-N 3.33Å; F78-R82 WeakPolarHBondContact O-CD 3.37Å; F78-R82 PolarHBondContact O-NH1 2.83Å; F78-F86 HydrophobicContact CD1-CE2 4.01Å; F78-F86 HydrophobicContact CD1-CZ 4.14Å; F78-F86 HydrophobicContact CE1-CE2 4.13Å; F78-F86 AromaticContact CE1-CZ 3.77Å; F78-F86 HydrophobicContact CE1-CZ 3.77Å; F78-Y109 AromaticContact CE2-CD1 3.79Å; F78-Y109 HydrophobicContact CE2-CD1 3.79Å; F78-Y109 HydrophobicContact CE2-CE1 4.31Å; F78-C113 HydrophobicContact CE1-CB 4.33Å; F78-C113 VanDerWaalsContact CE1-SG 3.53Å; F78-C113 WeakPolarHBondContact CZ-SG 3.45Å
79	T	90.7	Very high	91.8	Very high	97 Å²	97	60.8 Å²	60.8	60%	0.595	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-81	-177.7	55.9	0	0	0	0	111.3	E75	E75-T79 WeakPolarHBondContact O-CB 3.36Å; E75-T79 WeakPolarHBondContact O-CG2 3.36Å; E75-T79 PolarHBondContact O-N 3.12Å; E75-T79 PolarHBondContact O-OG1 3Å
80	S	88.4	Confident	92	Very high	105 Å²	105	64.1 Å²	64.1	73%	0.734	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.1	-167.7	-59.1	0	0	0	0	113.4	N76	N76-S80 PolarHBondContact O-N 2.88Å; N76-S80 VanDerWaalsContact O-N 3.08Å
81	Q	87.7	Confident	92.2	Very high	56 Å²	56	60.8 Å²	60.8	26%	0.262	31%	0.314	S	S	.	.	S	Bend	trans	-107.1	10.2	-175.4	-58.5	-170.2	10.3	0	0	113.9	N76 D83 N84 I85	N76-Q81 PolarHBondContact O-N 2.85Å; Q81-D83 PolarHBondContact O-N 2.63Å; Q81-N84 PolarHBondContact O-N 3.19Å; Q81-I85 HydrophobicContact CB-CG1 4.06Å; Q81-I85 WeakPolarHBondContact O-CG1 2.96Å; Q81-I85 PolarHBondContact O-N 2.62Å
82	R	90.9	Very high	92.5	Very high	52 Å²	52	57.9 Å²	57.9	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-51.5	-51.3	-171.7	-166.3	-174.9	-176.7	94.9	-3.1	112.9	Y77 F78 N84 I85 F86 A116	Y77-R82 WeakPolarHBondContact O-CA 3.42Å; Y77-R82 PolarHBondContact O-N 2.9Å; F78-R82 WeakPolarHBondContact O-CD 3.37Å; F78-R82 PolarHBondContact O-NH1 2.83Å; R82-N84 VanDerWaalsContact C-N 3.32Å; R82-N84 PolarHBondContact O-N 2.81Å; R82-I85 PolarHBondContact O-N 2.84Å; R82-F86 HydrophobicContact CG-CD2 4.08Å; R82-F86 WeakPolarHBondContact O-CB 3.44Å; R82-F86 WeakPolarHBondContact O-CD2 3.43Å; R82-F86 PolarHBondContact O-N 2.81Å; R82-A116 HydrophobicContact CG-CB 4.46Å
83	D	89.2	Confident	92.8	Very high	109 Å²	109	53.9 Å²	53.9	58%	0.583	27%	0.274	S	S	*	.	H	α-helix	trans	-67.3	-34.1	-178.5	-63.2	-17.8	0	0	0	112.3	Q81 R87	Q81-D83 PolarHBondContact O-N 2.63Å; D83-R87 WeakPolarHBondContact O-CB 3.46Å; D83-R87 PolarHBondContact O-N 2.91Å
84	N	92	Very high	93.2	Very high	98 Å²	98	52.1 Å²	52.1	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-71.1	-44.1	179.4	-174.8	41.6	0	0	0	111.5	K13 Q81 R82	K13-N84 PolarHBondContact NZ-O 3.13Å; Q81-N84 PolarHBondContact O-N 3.19Å; R82-N84 VanDerWaalsContact C-N 3.32Å; R82-N84 PolarHBondContact O-N 2.81Å
85	I	94.4	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.7	-50	-178.5	-60.2	-58.3	0	0	0	110.9	K13 L15 V49 W65 Y77 Q81 R82	K13-I85 VanDerWaalsContact CE-O 3.24Å; K13-I85 WeakPolarHBondContact CE-O 3.4Å; K13-I85 PolarHBondContact NZ-O 2.81Å; L15-I85 HydrophobicContact CD1-CG2 4.02Å; L15-I85 HydrophobicContact CD2-CG2 4.26Å; V49-I85 HydrophobicContact CG2-CD1 3.84Å; W65-I85 HydrophobicContact CE3-CD1 3.98Å; W65-I85 HydrophobicContact CZ3-CD1 3.87Å; Y77-I85 HydrophobicContact CD1-CD1 4.05Å; Y77-I85 HydrophobicContact CD1-CG1 3.82Å; Y77-I85 HydrophobicContact CE1-CD1 4.28Å; Y77-I85 HydrophobicContact CG-CG1 4.31Å; Q81-I85 HydrophobicContact CB-CG1 4.06Å; Q81-I85 WeakPolarHBondContact O-CG1 2.96Å; Q81-I85 PolarHBondContact O-N 2.62Å; R82-I85 PolarHBondContact O-N 2.84Å
86	F	95.6	Very high	93.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-94.5	-1.7	-166.1	-63.6	-76.2	0	0	0	115.2	L15 M17 F78 R82 V89 C113 A116 I117 N120 S121	L15-F86 HydrophobicContact CD1-CD1 3.95Å; L15-F86 HydrophobicContact CD1-CE1 4.18Å; M17-F86 HydrophobicContact CE-CZ 4Å; M17-F86 HydrophobicContact SD-CE1 3.78Å; M17-F86 HydrophobicContact SD-CZ 3.88Å; F78-F86 HydrophobicContact CD1-CE2 4.01Å; F78-F86 HydrophobicContact CD1-CZ 4.14Å; F78-F86 HydrophobicContact CE1-CE2 4.13Å; F78-F86 AromaticContact CE1-CZ 3.77Å; F78-F86 HydrophobicContact CE1-CZ 3.77Å; R82-F86 HydrophobicContact CG-CD2 4.08Å; R82-F86 WeakPolarHBondContact O-CB 3.44Å; R82-F86 WeakPolarHBondContact O-CD2 3.43Å; R82-F86 PolarHBondContact O-N 2.81Å; F86-V89 WeakPolarHBondContact O-CG2 3.44Å; F86-C113 HydrophobicContact CE1-CB 4.43Å; F86-A116 HydrophobicContact CB-CB 4.31Å; F86-A116 HydrophobicContact CD1-CB 3.87Å; F86-A116 HydrophobicContact CD2-CB 3.53Å; F86-A116 HydrophobicContact CE1-CB 4.01Å; F86-A116 HydrophobicContact CE2-CB 3.7Å; F86-A116 HydrophobicContact CG-CB 3.62Å; F86-A116 HydrophobicContact CZ-CB 3.93Å; F86-I117 HydrophobicContact CD1-CD1 3.71Å; F86-I117 HydrophobicContact CD1-CG1 3.86Å; F86-I117 HydrophobicContact CE1-CD1 4.46Å; F86-I117 HydrophobicContact CE1-CG1 4.3Å; F86-N120 HydrophobicContact CB-CB 4Å; F86-N120 VanDerWaalsContact O-CB 3.24Å; F86-N120 WeakPolarHBondContact O-CB 3.2Å; F86-S121 PolarHBondContact O-OG 3.47Å
87	R	94.7	Very high	94.1	Very high	159 Å²	159	45.5 Å²	45.5	60%	0.6	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	142.6	175.2	-173.4	174.6	-176.6	175.9	3.6	113	K13 D83 V89	K13-R87 PolarHBondContact NZ-O 2.79Å; D83-R87 WeakPolarHBondContact O-CB 3.46Å; D83-R87 PolarHBondContact O-N 2.91Å; R87-V89 PolarHBondContact O-N 2.96Å
88	N	94.3	Very high	94.3	Very high	120 Å²	120	46.6 Å²	46.6	64%	0.642	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.5	177.6	-58.8	-22.4	0	0	0	112.7	K13 S121	K13-N88 VanDerWaalsContact CB-O 3.29Å; K13-N88 WeakPolarHBondContact CB-O 3.45Å; N88-S121 PolarHBondContact N-OG 3.47Å
89	V	96.6	Very high	94.4	Very high	8 Å²	8	51 Å²	51	5%	0.048	26%	0.261	C	S	.	.			trans	-84.8	128.6	178.2	179.7	0	0	0	0	108.5	K13 L15 F86 R87 V91 I117 S121 A124	K13-V89 HydrophobicContact CD-CG2 4.23Å; L15-V89 HydrophobicContact CB-CG1 4.46Å; L15-V89 HydrophobicContact CD1-CB 4.42Å; L15-V89 HydrophobicContact CD1-CG1 3.99Å; L15-V89 HydrophobicContact CD1-CG2 3.53Å; L15-V89 HydrophobicContact CD2-CG2 4.47Å; L15-V89 HydrophobicContact CG-CG1 3.87Å; L15-V89 HydrophobicContact CG-CG2 3.81Å; F86-V89 WeakPolarHBondContact O-CG2 3.44Å; R87-V89 PolarHBondContact O-N 2.96Å; V89-V91 WeakPolarHBondContact CG1-O 3.08Å; V89-I117 HydrophobicContact CB-CD1 3.94Å; V89-I117 HydrophobicContact CG1-CD1 3.85Å; V89-I117 HydrophobicContact CG2-CD1 4.07Å; V89-S121 PolarHBondContact N-OG 2.98Å; V89-A124 HydrophobicContact CB-CB 4.4Å; V89-A124 HydrophobicContact CG1-CB 4.2Å; V89-A124 WeakPolarHBondContact O-CB 3.24Å
90	E	95.9	Very high	94.6	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	24%	0.238	S	C	.	.	S	Bend	trans	-96.2	-36.6	177.4	-67.9	-90.4	-176.4	0	0	110.6	K12 K13 K125 L184	K12-E90 HydrophobicContact CB-CG 4.33Å; K12-E90 HydrophobicContact CD-CB 4.16Å; K12-E90 HydrophobicContact CD-CG 3.51Å; K12-E90 WeakPolarHBondContact CD-OE1 3.42Å; K12-E90 WeakPolarHBondContact CD-OE2 3.34Å; K12-E90 IonicContact NZ-OE1 3.66Å; K12-E90 PolarHBondContact NZ-OE1 2.97Å; K12-E90 IonicContact NZ-OE2 3.5Å; K12-E90 PolarHBondContact NZ-OE2 2.89Å; K13-E90 PolarHBondContact O-N 3.2Å; E90-K125 PolarHBondContact O-N 3.36Å; E90-L184 HydrophobicContact CB-CD2 4.27Å
91	V	97.1	Very high	94.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.8	-179.7	173.9	0	0	0	0	110	K13 V14 L15 V89 I93 K125 F127 I180 L184	K13-V91 PolarHBondContact O-N 3.37Å; V14-V91 WeakPolarHBondContact CA-O 3.5Å; V14-V91 HydrophobicContact CG1-CB 4.23Å; V14-V91 HydrophobicContact CG1-CG1 4.18Å; V14-V91 HydrophobicContact CG2-CB 4.32Å; L15-V91 PolarHBondContact N-O 3.16Å; V89-V91 WeakPolarHBondContact CG1-O 3.08Å; V91-I93 HydrophobicContact CG1-CG1 3.87Å; V91-K125 CarbonylContact C-O 3.41Å; V91-K125 WeakPolarHBondContact CA-O 3.42Å; V91-K125 HydrophobicContact CG2-CB 4.31Å; V91-F127 HydrophobicContact CG1-CD2 3.59Å; V91-F127 HydrophobicContact CG1-CE2 3.8Å; V91-F127 HydrophobicContact CG2-CE2 4.33Å; V91-I180 HydrophobicContact CG1-CG2 4.08Å; V91-L184 HydrophobicContact CG2-CD1 4.07Å; V91-L184 HydrophobicContact CG2-CD2 3.49Å; V91-L184 VanDerWaalsContact CG2-CD2 3.49Å; V91-L184 HydrophobicContact CG2-CG 3.91Å
92	L	97.7	Very high	94.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.8	164.4	171.8	64.2	0	0	0	108.8	L15 M17 C113 L114 I117 K125 V126 F127	L15-L92 HydrophobicContact CB-CD1 3.84Å; L15-L92 HydrophobicContact CD1-CD1 4.5Å; M17-L92 HydrophobicContact CB-CD1 4.22Å; M17-L92 HydrophobicContact CG-CD1 4.08Å; M17-L92 HydrophobicContact SD-CD1 4.18Å; L92-C113 HydrophobicContact CD2-CB 4.5Å; L92-L114 HydrophobicContact CD2-CD2 4.48Å; L92-I117 HydrophobicContact CB-CD1 4.48Å; L92-I117 HydrophobicContact CD2-CG1 3.96Å; L92-K125 PolarHBondContact N-O 3.37Å; L92-V126 HydrophobicContact CD2-CG1 4.42Å; L92-F127 PolarHBondContact O-N 3.44Å
93	I	98.2	Very high	94.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.8	169.1	-51	170.5	0	0	0	107	V14 L15 L16 M17 V91 V95 F127 L129 W177 I180	V14-I93 HydrophobicContact CG1-CD1 3.64Å; V14-I93 HydrophobicContact CG1-CG1 4.09Å; L15-I93 PolarHBondContact O-N 3.25Å; L16-I93 WeakPolarHBondContact CA-O 2.97Å; L16-I93 HydrophobicContact CD1-CB 3.85Å; L16-I93 HydrophobicContact CD1-CG2 3.74Å; M17-I93 PolarHBondContact N-O 3.44Å; V91-I93 HydrophobicContact CG1-CG1 3.87Å; I93-V95 HydrophobicContact CG2-CG2 4.45Å; I93-F127 CarbonylContact C-O 3.59Å; I93-F127 WeakPolarHBondContact CA-O 3.33Å; I93-L129 HydrophobicContact CG2-CD1 3.56Å; I93-L129 HydrophobicContact CG2-CG 3.82Å; I93-W177 HydrophobicContact CD1-CE3 4.45Å; I93-W177 HydrophobicContact CD1-CH2 3.52Å; I93-W177 HydrophobicContact CD1-CZ2 4.11Å; I93-W177 HydrophobicContact CD1-CZ3 3.71Å; I93-I180 HydrophobicContact CD1-CD1 3.94Å; I93-I180 HydrophobicContact CD1-CG2 4.08Å; I93-I180 HydrophobicContact CG1-CD1 4.11Å; I93-I180 HydrophobicContact CG1-CG2 4.45Å; I93-I180 HydrophobicContact CG2-CD1 4.42Å
94	Y	98.1	Very high	95	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129	176.7	-157.2	-78.5	0	0	0	110.6	M17 F96 Y109 Y110 C113 F127 C128 L129	M17-Y94 HydrophobicContact CB-CD2 4.01Å; M17-Y94 HydrophobicContact CB-CE2 4.23Å; M17-Y94 CarbonylContact O-C 3.5Å; M17-Y94 WeakPolarHBondContact O-CA 3.18Å; Y94-F96 HydrophobicContact CD1-CD1 4.38Å; Y94-F96 AromaticContact CD1-CD2 3.96Å; Y94-F96 HydrophobicContact CD1-CD2 3.96Å; Y94-F96 AromaticContact CD1-CE1 3.94Å; Y94-F96 HydrophobicContact CD1-CE1 3.94Å; Y94-F96 AromaticContact CD1-CE2 3.47Å; Y94-F96 HydrophobicContact CD1-CE2 3.47Å; Y94-F96 VanDerWaalsContact CD1-CE2 3.47Å; Y94-F96 HydrophobicContact CD1-CG 4.39Å; Y94-F96 AromaticContact CD1-CZ 3.47Å; Y94-F96 HydrophobicContact CD1-CZ 3.47Å; Y94-F96 VanDerWaalsContact CD1-CZ 3.47Å; Y94-F96 HydrophobicContact CE1-CD1 4.17Å; Y94-F96 AromaticContact CE1-CE1 3.67Å; Y94-F96 HydrophobicContact CE1-CE1 3.67Å; Y94-F96 HydrophobicContact CE1-CE2 4.1Å; Y94-F96 AromaticContact CE1-CZ 3.64Å; Y94-F96 HydrophobicContact CE1-CZ 3.64Å; Y94-F96 HydrophobicContact CG-CE2 4.34Å; Y94-F96 HydrophobicContact CG-CZ 4.44Å; Y94-Y109 WeakPolarHBondContact OH-CB 3.38Å; Y94-Y110 AromaticContact CD1-CD2 3.85Å; Y94-Y110 HydrophobicContact CD1-CD2 3.85Å; Y94-Y110 AromaticContact CD2-CD2 3.7Å; Y94-Y110 HydrophobicContact CD2-CD2 3.7Å; Y94-Y110 HydrophobicContact CD2-CE2 4.4Å; Y94-Y110 HydrophobicContact CE1-CD2 4.2Å; Y94-Y110 HydrophobicContact CE2-CD2 4.06Å; Y94-Y110 AromaticContact CG-CD2 3.57Å; Y94-Y110 HydrophobicContact CG-CD2 3.57Å; Y94-Y110 HydrophobicContact CG-CE2 4.09Å; Y94-Y110 PolarHBondContact OH-N 3.1Å; Y94-C113 HydrophobicContact CD2-CB 4.42Å; Y94-C113 HydrophobicContact CE2-CB 4.21Å; Y94-F127 PolarHBondContact N-O 2.83Å; Y94-C128 CarbonylContact O-C 3.59Å; Y94-C128 WeakPolarHBondContact O-CA 3.49Å; Y94-L129 PolarHBondContact O-N 3.49Å
95	V	98.3	Very high	95	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.4	-171.8	-171.7	0	0	0	0	110.4	L16 M17 S22 K24 M27 I93 H131	L16-V95 HydrophobicContact CD1-CG2 3.7Å; M17-V95 PolarHBondContact O-N 2.95Å; S22-V95 WeakPolarHBondContact O-CG1 3.34Å; S22-V95 PolarHBondContact OG-O 3.23Å; K24-V95 HydrophobicContact CG-CB 3.98Å; K24-V95 HydrophobicContact CG-CG2 3.79Å; M27-V95 HydrophobicContact CE-CB 4.08Å; M27-V95 HydrophobicContact CE-CG1 3.47Å; M27-V95 VanDerWaalsContact CE-CG1 3.47Å; M27-V95 HydrophobicContact CE-CG2 3.41Å; M27-V95 VanDerWaalsContact CE-CG2 3.41Å; I93-V95 HydrophobicContact CG2-CG2 4.45Å; V95-H131 HydrophobicContact CG1-CB 3.75Å
96	F	97.6	Very high	95	Very high	18 Å²	18	58 Å²	58	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.3	174.2	-65.7	-83	0	0	0	110.3	Y94 D106 M107 Y110 C128 L129 H131 L152	Y94-F96 HydrophobicContact CD1-CD1 4.38Å; Y94-F96 AromaticContact CD1-CD2 3.96Å; Y94-F96 HydrophobicContact CD1-CD2 3.96Å; Y94-F96 AromaticContact CD1-CE1 3.94Å; Y94-F96 HydrophobicContact CD1-CE1 3.94Å; Y94-F96 AromaticContact CD1-CE2 3.47Å; Y94-F96 HydrophobicContact CD1-CE2 3.47Å; Y94-F96 VanDerWaalsContact CD1-CE2 3.47Å; Y94-F96 HydrophobicContact CD1-CG 4.39Å; Y94-F96 AromaticContact CD1-CZ 3.47Å; Y94-F96 HydrophobicContact CD1-CZ 3.47Å; Y94-F96 VanDerWaalsContact CD1-CZ 3.47Å; Y94-F96 HydrophobicContact CE1-CD1 4.17Å; Y94-F96 AromaticContact CE1-CE1 3.67Å; Y94-F96 HydrophobicContact CE1-CE1 3.67Å; Y94-F96 HydrophobicContact CE1-CE2 4.1Å; Y94-F96 AromaticContact CE1-CZ 3.64Å; Y94-F96 HydrophobicContact CE1-CZ 3.64Å; Y94-F96 HydrophobicContact CG-CE2 4.34Å; Y94-F96 HydrophobicContact CG-CZ 4.44Å; F96-D106 HydrophobicContact CD1-CB 4.4Å; F96-D106 HydrophobicContact CE1-CB 4.42Å; F96-M107 HydrophobicContact CE1-CE 4.41Å; F96-M107 HydrophobicContact CE1-SD 4.22Å; F96-M107 HydrophobicContact CZ-SD 4.49Å; F96-Y110 HydrophobicContact CE1-CG 4.43Å; F96-Y110 HydrophobicContact CE2-CD2 4.3Å; F96-Y110 HydrophobicContact CE2-CG 4.46Å; F96-Y110 HydrophobicContact CZ-CD1 4.01Å; F96-Y110 AromaticContact CZ-CD2 3.81Å; F96-Y110 HydrophobicContact CZ-CD2 3.81Å; F96-Y110 HydrophobicContact CZ-CE2 4.4Å; F96-Y110 AromaticContact CZ-CG 3.59Å; F96-Y110 HydrophobicContact CZ-CG 3.59Å; F96-C128 HydrophobicContact CD2-CB 4.47Å; F96-C128 HydrophobicContact CE2-CB 4.15Å; F96-L129 PolarHBondContact N-O 2.93Å; F96-H131 WeakPolarHBondContact O-CA 3.39Å; F96-H131 WeakPolarHBondContact O-CB 3.36Å; F96-H131 PolarHBondContact O-N 2.99Å; F96-L152 HydrophobicContact CD2-CD1 4.19Å; F96-L152 HydrophobicContact CD2-CD2 4.3Å; F96-L152 HydrophobicContact CE1-CD2 4.27Å; F96-L152 HydrophobicContact CE2-CD1 4.04Å; F96-L152 HydrophobicContact CE2-CD2 3.48Å; F96-L152 VanDerWaalsContact CE2-CD2 3.48Å; F96-L152 HydrophobicContact CE2-CG 4.43Å; F96-L152 HydrophobicContact CZ-CD2 3.46Å; F96-L152 VanDerWaalsContact CZ-CD2 3.46Å
97	D	96.6	Very high	94.9	Very high	29 Å²	29	59.2 Å²	59.2	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.7	170.8	-167.5	-24	0	0	0	109.1	E99 S100 K132	D97-E99 PolarHBondContact O-N 3.14Å; D97-E99 PolarHBondContact OD1-N 2.74Å; D97-E99 VanDerWaalsContact OD1-N 3.1Å; D97-S100 VanDerWaalsContact O-CB 3.32Å; D97-S100 WeakPolarHBondContact O-CB 3.12Å; D97-S100 PolarHBondContact O-N 2.74Å; D97-S100 VanDerWaalsContact O-N 3.1Å; D97-K132 IonicContact OD1-NZ 3.79Å; D97-K132 WeakPolarHBondContact OD2-CE 3.47Å; D97-K132 IonicContact OD2-NZ 2.8Å; D97-K132 PolarHBondContact OD2-NZ 3.38Å
98	V	95.3	Very high	94.9	Very high	23 Å²	23	57 Å²	57	14%	0.139	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26	-179	72.5	0	0	0	0	113	S100 V130 H131 K132 M133 V136 I144	V98-S100 VanDerWaalsContact C-N 3.33Å; V98-V130 HydrophobicContact CB-CG1 4.3Å; V98-V130 HydrophobicContact CG2-CG1 4.34Å; V98-H131 WeakPolarHBondContact CB-O 3.24Å; V98-H131 WeakPolarHBondContact CG1-O 3.23Å; V98-H131 PolarHBondContact N-O 2.91Å; V98-H131 VanDerWaalsContact N-O 3.1Å; V98-K132 HydrophobicContact CG1-CB 4.24Å; V98-K132 VanDerWaalsContact CG1-O 3.24Å; V98-K132 WeakPolarHBondContact CG1-O 3.24Å; V98-M133 HydrophobicContact CB-SD 4.08Å; V98-M133 HydrophobicContact CG1-SD 4.47Å; V98-M133 HydrophobicContact CG2-SD 3.69Å; V98-V136 HydrophobicContact CB-CG2 4.44Å; V98-V136 HydrophobicContact CG1-CG2 3.91Å; V98-V136 HydrophobicContact CG2-CG2 3.65Å; V98-I144 HydrophobicContact CG2-CG2 4.17Å
99	E	94.1	Very high	94.9	Very high	119 Å²	119	52.4 Å²	52.4	56%	0.556	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.6	177.3	-71.9	-164.3	149	0	0	113.5	D97 R101 L135	D97-E99 PolarHBondContact O-N 3.14Å; D97-E99 PolarHBondContact OD1-N 2.74Å; D97-E99 VanDerWaalsContact OD1-N 3.1Å; E99-R101 PolarHBondContact O-N 3Å; E99-L135 HydrophobicContact CG-CB 4.14Å; E99-L135 HydrophobicContact CG-CD1 3.81Å; E99-L135 WeakPolarHBondContact OE2-CD1 3.27Å
100	S	93.1	Very high	94.9	Very high	16 Å²	16	52 Å²	52	11%	0.112	24%	0.237	C	C	.	.			trans	-61.2	126.5	-179.1	-169.4	0	0	0	0	111.2	D97 V98 E102 D106	D97-S100 VanDerWaalsContact O-CB 3.32Å; D97-S100 WeakPolarHBondContact O-CB 3.12Å; D97-S100 PolarHBondContact O-N 2.74Å; D97-S100 VanDerWaalsContact O-N 3.1Å; V98-S100 VanDerWaalsContact C-N 3.33Å; S100-E102 PolarHBondContact OG-N 2.71Å; S100-D106 WeakPolarHBondContact CB-OD2 3.4Å; S100-D106 PolarHBondContact OG-OD2 3.31Å
101	R	90.9	Very high	94.9	Very high	247 Å²	247	52 Å²	52	93%	0.932	24%	0.236	S	C	*	.	S	Bend	trans	-84.6	-15.5	175.3	-60.5	-177.2	-176.9	-178	0.1	112.8	E99	E99-R101 PolarHBondContact O-N 3Å
102	E	92.7	Very high	94.8	Very high	96 Å²	96	53 Å²	53	45%	0.449	24%	0.244	S	C	.	.			trans	-106.8	54.2	-174.6	-62.1	178.2	114.2	0	0	110.9	K19 S100 E104 K105 D106	K19-E102 IonicContact NZ-OE2 3.05Å; K19-E102 PolarHBondContact NZ-OE2 2.84Å; S100-E102 PolarHBondContact OG-N 2.71Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.8Å; E102-K105 HydrophobicContact CB-CB 4.17Å; E102-K105 PolarHBondContact O-N 3.38Å; E102-D106 PolarHBondContact O-N 2.93Å
103	L	89.6	Confident	94.7	Very high	60 Å²	60	53 Å²	53	31%	0.314	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-40.2	-173.5	-64.4	165.3	0	0	0	112.7	K105 D106 M107	L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 2.94Å; L103-D106 PolarHBondContact O-N 2.89Å; L103-M107 WeakPolarHBondContact O-CB 3.07Å; L103-M107 VanDerWaalsContact O-CG 3.25Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.16Å
104	E	91.6	Very high	94.5	Very high	176 Å²	176	53.6 Å²	53.6	82%	0.822	25%	0.247	S	C	*	.	H	α-helix	trans	-61.9	-41.5	178.7	-66.7	179.1	176.3	0	0	111.8	E102 M107 H108	E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.8Å; E104-M107 PolarHBondContact O-N 2.92Å; E104-H108 WeakPolarHBondContact O-CB 3.32Å; E104-H108 PolarHBondContact O-N 3.22Å
105	K	93.3	Very high	94.4	Very high	63 Å²	63	58.8 Å²	58.8	27%	0.274	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-41.7	177.2	-166.5	-175.3	-173.4	-168.7	0	111.3	D71 E102 L103 M107 H108 Y109	D71-K105 IonicContact OD1-NZ 3.88Å; D71-K105 PolarHBondContact OD1-NZ 3.2Å; D71-K105 IonicContact OD2-NZ 2.62Å; D71-K105 PolarHBondContact OD2-NZ 2.79Å; E102-K105 HydrophobicContact CB-CB 4.17Å; E102-K105 PolarHBondContact O-N 3.38Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 2.94Å; K105-M107 VanDerWaalsContact C-N 3.3Å; K105-M107 PolarHBondContact O-N 3.21Å; K105-H108 PolarHBondContact O-N 3.28Å; K105-Y109 HydrophobicContact CD-CE2 4.17Å; K105-Y109 HydrophobicContact CG-CD2 4.13Å; K105-Y109 HydrophobicContact CG-CE2 3.87Å; K105-Y109 WeakPolarHBondContact O-CD2 3.46Å; K105-Y109 PolarHBondContact O-N 2.82Å
106	D	93.9	Very high	94.2	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-41.3	176.1	-67.5	-19.6	0	0	0	111.2	K19 F96 S100 E102 L103 Y110	K19-D106 WeakPolarHBondContact CD-OD1 3.31Å; K19-D106 IonicContact NZ-OD1 2.68Å; F96-D106 HydrophobicContact CD1-CB 4.4Å; F96-D106 HydrophobicContact CE1-CB 4.42Å; S100-D106 WeakPolarHBondContact CB-OD2 3.4Å; S100-D106 PolarHBondContact OG-OD2 3.31Å; E102-D106 PolarHBondContact O-N 2.93Å; L103-D106 PolarHBondContact O-N 2.89Å; D106-Y110 WeakPolarHBondContact O-CB 3.44Å; D106-Y110 PolarHBondContact O-N 2.6Å
107	M	93.6	Very high	94.1	Very high	25 Å²	25	57.9 Å²	57.9	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-40.2	175.7	-69	-58.5	173	0	0	112.2	F96 L103 E104 K105 Y110 Q111 L152 L155	F96-M107 HydrophobicContact CE1-CE 4.41Å; F96-M107 HydrophobicContact CE1-SD 4.22Å; F96-M107 HydrophobicContact CZ-SD 4.49Å; L103-M107 WeakPolarHBondContact O-CB 3.07Å; L103-M107 VanDerWaalsContact O-CG 3.25Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.16Å; E104-M107 PolarHBondContact O-N 2.92Å; K105-M107 VanDerWaalsContact C-N 3.3Å; K105-M107 PolarHBondContact O-N 3.21Å; M107-Y110 WeakPolarHBondContact O-CB 3.47Å; M107-Y110 PolarHBondContact O-N 3.32Å; M107-Q111 WeakPolarHBondContact O-CG 3.38Å; M107-Q111 PolarHBondContact O-N 3.1Å; M107-L152 HydrophobicContact CE-CD2 3.9Å; M107-L152 HydrophobicContact CE-CG 4.45Å; M107-L152 HydrophobicContact SD-CD2 3.94Å; M107-L155 HydrophobicContact CB-CD1 4.48Å; M107-L155 HydrophobicContact CG-CD1 4.14Å; M107-L155 HydrophobicContact SD-CD1 3.63Å
108	H	94.1	Very high	94	Very high	114 Å²	114	60 Å²	60	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-47.7	175.5	-178.6	-80.2	0	0	0	111.6	E104 K105 Y110 Q111 S112	E104-H108 WeakPolarHBondContact O-CB 3.32Å; E104-H108 PolarHBondContact O-N 3.22Å; K105-H108 PolarHBondContact O-N 3.28Å; H108-Y110 VanDerWaalsContact C-N 3.31Å; H108-Y110 PolarHBondContact O-N 3.1Å; H108-Q111 PolarHBondContact O-N 3.31Å; H108-S112 PolarHBondContact O-N 3.49Å; H108-S112 PolarHBondContact O-OG 3.46Å; H108-S112 VanDerWaalsContact O-OG 3.12Å
109	Y	94.9	Very high	94	Very high	23 Å²	23	65.1 Å²	65.1	9%	0.09	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-37.9	175.7	-78.4	-49.8	0	0	0	112.6	D71 M74 F78 Y94 K105 S112 C113	D71-Y109 PolarHBondContact OD1-OH 2.88Å; M74-Y109 HydrophobicContact CB-CD1 4.27Å; M74-Y109 HydrophobicContact CB-CE1 3.92Å; M74-Y109 HydrophobicContact CE-CD1 4.12Å; M74-Y109 HydrophobicContact CE-CG 4.15Å; F78-Y109 AromaticContact CE2-CD1 3.79Å; F78-Y109 HydrophobicContact CE2-CD1 3.79Å; F78-Y109 HydrophobicContact CE2-CE1 4.31Å; Y94-Y109 WeakPolarHBondContact OH-CB 3.38Å; K105-Y109 HydrophobicContact CD-CE2 4.17Å; K105-Y109 HydrophobicContact CG-CD2 4.13Å; K105-Y109 HydrophobicContact CG-CE2 3.87Å; K105-Y109 WeakPolarHBondContact O-CD2 3.46Å; K105-Y109 PolarHBondContact O-N 2.82Å; Y109-S112 PolarHBondContact O-N 2.98Å; Y109-C113 PolarHBondContact O-N 3.37Å; Y109-C113 PolarHBondContact O-SG 3.05Å
110	Y	96.7	Very high	94	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-47.5	175	175.2	-118.9	0	0	0	112	Y94 F96 D106 M107 H108 S112 C113 L114 V126 C128 L152 S156	Y94-Y110 AromaticContact CD1-CD2 3.85Å; Y94-Y110 HydrophobicContact CD1-CD2 3.85Å; Y94-Y110 AromaticContact CD2-CD2 3.7Å; Y94-Y110 HydrophobicContact CD2-CD2 3.7Å; Y94-Y110 HydrophobicContact CD2-CE2 4.4Å; Y94-Y110 HydrophobicContact CE1-CD2 4.2Å; Y94-Y110 HydrophobicContact CE2-CD2 4.06Å; Y94-Y110 AromaticContact CG-CD2 3.57Å; Y94-Y110 HydrophobicContact CG-CD2 3.57Å; Y94-Y110 HydrophobicContact CG-CE2 4.09Å; Y94-Y110 PolarHBondContact OH-N 3.1Å; F96-Y110 HydrophobicContact CE1-CG 4.43Å; F96-Y110 HydrophobicContact CE2-CD2 4.3Å; F96-Y110 HydrophobicContact CE2-CG 4.46Å; F96-Y110 HydrophobicContact CZ-CD1 4.01Å; F96-Y110 AromaticContact CZ-CD2 3.81Å; F96-Y110 HydrophobicContact CZ-CD2 3.81Å; F96-Y110 HydrophobicContact CZ-CE2 4.4Å; F96-Y110 AromaticContact CZ-CG 3.59Å; F96-Y110 HydrophobicContact CZ-CG 3.59Å; D106-Y110 WeakPolarHBondContact O-CB 3.44Å; D106-Y110 PolarHBondContact O-N 2.6Å; M107-Y110 WeakPolarHBondContact O-CB 3.47Å; M107-Y110 PolarHBondContact O-N 3.32Å; H108-Y110 VanDerWaalsContact C-N 3.31Å; H108-Y110 PolarHBondContact O-N 3.1Å; Y110-S112 PolarHBondContact O-N 3.24Å; Y110-C113 WeakPolarHBondContact O-CB 3.4Å; Y110-C113 PolarHBondContact O-N 3.5Å; Y110-C113 VanDerWaalsContact O-N 3.16Å; Y110-L114 HydrophobicContact CD1-CD1 4.09Å; Y110-L114 HydrophobicContact CD2-CG 4.4Å; Y110-L114 HydrophobicContact CE1-CD1 3.5Å; Y110-L114 VanDerWaalsContact CE1-CD1 3.5Å; Y110-L114 HydrophobicContact CE1-CG 4.21Å; Y110-L114 HydrophobicContact CE2-CD1 4.16Å; Y110-L114 HydrophobicContact CE2-CD2 3.97Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.46Å; Y110-L114 PolarHBondContact O-N 3.48Å; Y110-V126 HydrophobicContact CE2-CG1 4.44Å; Y110-C128 VanDerWaalsContact CZ-SG 3.58Å; Y110-C128 PolarHBondContact OH-SG 3.37Å; Y110-L152 HydrophobicContact CD1-CD2 4.16Å; Y110-L152 HydrophobicContact CE1-CD2 3.95Å; Y110-S156 PolarHBondContact OH-OG 3.32Å
111	Q	95.3	Very high	94.1	Very high	74 Å²	74	61.5 Å²	61.5	35%	0.346	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-43	177.1	-73.3	178.3	-43.9	0	0	112	M107 H108 C113 L114 E115	M107-Q111 WeakPolarHBondContact O-CG 3.38Å; M107-Q111 PolarHBondContact O-N 3.1Å; H108-Q111 PolarHBondContact O-N 3.31Å; Q111-C113 VanDerWaalsContact C-N 3.28Å; Q111-C113 PolarHBondContact O-N 2.79Å; Q111-L114 WeakPolarHBondContact O-CB 3.22Å; Q111-L114 PolarHBondContact O-N 3.4Å; Q111-E115 WeakPolarHBondContact O-CG 3.43Å; Q111-E115 PolarHBondContact O-N 2.68Å
112	S	94.7	Very high	94.2	Very high	22 Å²	22	53 Å²	53	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-39	174.4	-64.7	0	0	0	0	112.3	H108 Y109 Y110 A116	H108-S112 PolarHBondContact O-N 3.49Å; H108-S112 PolarHBondContact O-OG 3.46Å; H108-S112 VanDerWaalsContact O-OG 3.12Å; Y109-S112 PolarHBondContact O-N 2.98Å; Y110-S112 PolarHBondContact O-N 3.24Å; S112-A116 WeakPolarHBondContact O-CB 3.29Å; S112-A116 PolarHBondContact O-N 3.19Å; S112-A116 VanDerWaalsContact O-N 3.12Å
113	C	95.6	Very high	94.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-43.3	172.2	-77.4	0	0	0	0	112.4	M17 F78 F86 L92 Y94 Y109 Y110 Q111 A116 I117	M17-C113 VanDerWaalsContact SD-SG 3.68Å; F78-C113 HydrophobicContact CE1-CB 4.33Å; F78-C113 VanDerWaalsContact CE1-SG 3.53Å; F78-C113 WeakPolarHBondContact CZ-SG 3.45Å; F86-C113 HydrophobicContact CE1-CB 4.43Å; L92-C113 HydrophobicContact CD2-CB 4.5Å; Y94-C113 HydrophobicContact CD2-CB 4.42Å; Y94-C113 HydrophobicContact CE2-CB 4.21Å; Y109-C113 PolarHBondContact O-N 3.37Å; Y109-C113 PolarHBondContact O-SG 3.05Å; Y110-C113 WeakPolarHBondContact O-CB 3.4Å; Y110-C113 PolarHBondContact O-N 3.5Å; Y110-C113 VanDerWaalsContact O-N 3.16Å; Q111-C113 VanDerWaalsContact C-N 3.28Å; Q111-C113 PolarHBondContact O-N 2.79Å; C113-A116 PolarHBondContact O-N 2.83Å; C113-I117 WeakPolarHBondContact O-CG1 3.24Å; C113-I117 PolarHBondContact O-N 2.77Å
114	L	95.5	Very high	94.5	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-41.2	179.1	-69	-179.7	0	0	0	112.3	L92 Y110 Q111 A116 I117 L118 V126 L159	L92-L114 HydrophobicContact CD2-CD2 4.48Å; Y110-L114 HydrophobicContact CD1-CD1 4.09Å; Y110-L114 HydrophobicContact CD2-CG 4.4Å; Y110-L114 HydrophobicContact CE1-CD1 3.5Å; Y110-L114 VanDerWaalsContact CE1-CD1 3.5Å; Y110-L114 HydrophobicContact CE1-CG 4.21Å; Y110-L114 HydrophobicContact CE2-CD1 4.16Å; Y110-L114 HydrophobicContact CE2-CD2 3.97Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.46Å; Y110-L114 PolarHBondContact O-N 3.48Å; Q111-L114 WeakPolarHBondContact O-CB 3.22Å; Q111-L114 PolarHBondContact O-N 3.4Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 2.93Å; L114-I117 PolarHBondContact O-N 2.86Å; L114-L118 WeakPolarHBondContact O-CB 3.06Å; L114-L118 PolarHBondContact O-N 3.37Å; L114-V126 HydrophobicContact CD2-CG1 3.96Å; L114-V126 HydrophobicContact CD2-CG2 4.01Å; L114-L159 HydrophobicContact CB-CD1 4.46Å; L114-L159 HydrophobicContact CD2-CD1 4.05Å
115	E	94.3	Very high	94.8	Very high	111 Å²	111	48.9 Å²	48.9	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-42.8	174.6	-72	175.9	-174.6	0	0	111.5	Q111 L118 Q119	Q111-E115 WeakPolarHBondContact O-CG 3.43Å; Q111-E115 PolarHBondContact O-N 2.68Å; E115-L118 PolarHBondContact O-N 3.5Å; E115-Q119 VanDerWaalsContact O-CG 3.29Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.33Å; E115-Q119 VanDerWaalsContact O-N 3.12Å
116	A	95.2	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-39	177	0	0	0	0	0	112.4	R82 F86 S112 C113 L114 N120	R82-A116 HydrophobicContact CG-CB 4.46Å; F86-A116 HydrophobicContact CB-CB 4.31Å; F86-A116 HydrophobicContact CD1-CB 3.87Å; F86-A116 HydrophobicContact CD2-CB 3.53Å; F86-A116 HydrophobicContact CE1-CB 4.01Å; F86-A116 HydrophobicContact CE2-CB 3.7Å; F86-A116 HydrophobicContact CG-CB 3.62Å; F86-A116 HydrophobicContact CZ-CB 3.93Å; S112-A116 WeakPolarHBondContact O-CB 3.29Å; S112-A116 PolarHBondContact O-N 3.19Å; S112-A116 VanDerWaalsContact O-N 3.12Å; C113-A116 PolarHBondContact O-N 2.83Å; L114-A116 VanDerWaalsContact C-N 3.32Å; L114-A116 PolarHBondContact O-N 2.93Å; A116-N120 WeakPolarHBondContact O-CB 3.4Å; A116-N120 PolarHBondContact O-N 2.86Å; A116-N120 PolarHBondContact O-ND2 3.48Å
117	I	95.9	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-46.8	173.4	-73.8	-68.9	0	0	0	111.1	L15 F86 V89 L92 C113 L114 Q119 N120 S121 A124 L159	L15-I117 HydrophobicContact CD1-CD1 4.29Å; F86-I117 HydrophobicContact CD1-CD1 3.71Å; F86-I117 HydrophobicContact CD1-CG1 3.86Å; F86-I117 HydrophobicContact CE1-CD1 4.46Å; F86-I117 HydrophobicContact CE1-CG1 4.3Å; V89-I117 HydrophobicContact CB-CD1 3.94Å; V89-I117 HydrophobicContact CG1-CD1 3.85Å; V89-I117 HydrophobicContact CG2-CD1 4.07Å; L92-I117 HydrophobicContact CB-CD1 4.48Å; L92-I117 HydrophobicContact CD2-CG1 3.96Å; C113-I117 WeakPolarHBondContact O-CG1 3.24Å; C113-I117 PolarHBondContact O-N 2.77Å; L114-I117 PolarHBondContact O-N 2.86Å; I117-Q119 PolarHBondContact O-N 2.55Å; I117-N120 PolarHBondContact O-N 3.4Å; I117-S121 WeakPolarHBondContact CG2-O 3.44Å; I117-S121 CarbonylContact O-C 3.56Å; I117-S121 WeakPolarHBondContact O-CA 3.46Å; I117-S121 PolarHBondContact O-N 3.49Å; I117-A124 HydrophobicContact CG2-CB 3.86Å; I117-L159 HydrophobicContact CG2-CD1 4.11Å
118	L	94.8	Very high	95.4	Very high	74 Å²	74	44.6 Å²	44.6	39%	0.387	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-35	-178.1	-173	63.4	0	0	0	112	L114 E115 P158 L159	L114-L118 WeakPolarHBondContact O-CB 3.06Å; L114-L118 PolarHBondContact O-N 3.37Å; E115-L118 PolarHBondContact O-N 3.5Å; L118-P158 HydrophobicContact CD1-CG 4.25Å; L118-P158 HydrophobicContact CD2-CG 3.93Å; L118-L159 HydrophobicContact CB-CD1 4.37Å; L118-L159 HydrophobicContact CD1-CD2 3.98Å; L118-L159 HydrophobicContact CD1-CG 4.18Å
119	Q	93.4	Very high	95.5	Very high	130 Å²	130	39.2 Å²	39.2	61%	0.607	20%	0.2	S	C	*	.	H	α-helix	trans	-76.5	-35.8	177.9	-70.5	169	-4.3	0	0	113.6	E115 I117	E115-Q119 VanDerWaalsContact O-CG 3.29Å; E115-Q119 WeakPolarHBondContact O-CG 3.47Å; E115-Q119 PolarHBondContact O-N 3.33Å; E115-Q119 VanDerWaalsContact O-N 3.12Å; I117-Q119 PolarHBondContact O-N 2.55Å
120	N	94.6	Very high	95.7	Very high	47 Å²	47	38.3 Å²	38.3	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-108.8	-27.3	-168.6	-70.7	-77.8	0	0	0	114.9	F86 A116 I117	F86-N120 HydrophobicContact CB-CB 4Å; F86-N120 VanDerWaalsContact O-CB 3.24Å; F86-N120 WeakPolarHBondContact O-CB 3.2Å; A116-N120 WeakPolarHBondContact O-CB 3.4Å; A116-N120 PolarHBondContact O-N 2.86Å; A116-N120 PolarHBondContact O-ND2 3.48Å; I117-N120 PolarHBondContact O-N 3.4Å
121	S	95.5	Very high	95.8	Very high	11 Å²	11	38.4 Å²	38.4	8%	0.077	20%	0.198	C	C	.	.			trans	-150.5	67.2	-176.1	-58.9	0	0	0	0	110.3	F86 N88 V89 I117 D123 A124	F86-S121 PolarHBondContact O-OG 3.47Å; N88-S121 PolarHBondContact N-OG 3.47Å; V89-S121 PolarHBondContact N-OG 2.98Å; I117-S121 WeakPolarHBondContact CG2-O 3.44Å; I117-S121 CarbonylContact O-C 3.56Å; I117-S121 WeakPolarHBondContact O-CA 3.46Å; I117-S121 PolarHBondContact O-N 3.49Å; S121-D123 PolarHBondContact O-N 3.3Å; S121-A124 WeakPolarHBondContact O-CB 3.41Å; S121-A124 PolarHBondContact O-N 2.79Å
122	P	93.1	Very high	95.8	Very high	68 Å²	68	37.4 Å²	37.4	44%	0.442	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26	-173.3	25.2	-35.2	0	0	0	114	A124	P122-A124 VanDerWaalsContact C-N 3.27Å; P122-A124 PolarHBondContact O-N 2.9Å
123	D	93.9	Very high	95.9	Very high	154 Å²	154	36.6 Å²	36.6	82%	0.824	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.7	178.5	-58.8	-43.9	0	0	0	113.3	S121	S121-D123 PolarHBondContact O-N 3.3Å
124	A	95.7	Very high	96	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-65.3	135.7	-179.9	0	0	0	0	0	111.1	V89 I117 S121 P122	V89-A124 HydrophobicContact CB-CB 4.4Å; V89-A124 HydrophobicContact CG1-CB 4.2Å; V89-A124 WeakPolarHBondContact O-CB 3.24Å; I117-A124 HydrophobicContact CG2-CB 3.86Å; S121-A124 WeakPolarHBondContact O-CB 3.41Å; S121-A124 PolarHBondContact O-N 2.79Å; P122-A124 VanDerWaalsContact C-N 3.27Å; P122-A124 PolarHBondContact O-N 2.9Å
125	K	96	Very high	95.9	Very high	87 Å²	87	42.1 Å²	42.1	38%	0.378	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.7	177.3	-50.4	-171.6	-171.7	173.3	0	110	E90 V91 L92 F127 Q183	E90-K125 PolarHBondContact O-N 3.36Å; V91-K125 CarbonylContact C-O 3.41Å; V91-K125 WeakPolarHBondContact CA-O 3.42Å; V91-K125 HydrophobicContact CG2-CB 4.31Å; L92-K125 PolarHBondContact N-O 3.37Å; K125-F127 HydrophobicContact CB-CE2 4Å; K125-Q183 HydrophobicContact CD-CB 4.32Å; K125-Q183 PolarHBondContact NZ-O 2.86Å
126	V	97.3	Very high	96	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.1	-177.7	-177.4	0	0	0	0	110.4	L92 Y110 L114 L159 C161 T162	L92-V126 HydrophobicContact CD2-CG1 4.42Å; Y110-V126 HydrophobicContact CE2-CG1 4.44Å; L114-V126 HydrophobicContact CD2-CG1 3.96Å; L114-V126 HydrophobicContact CD2-CG2 4.01Å; V126-L159 HydrophobicContact CG2-CD1 4.36Å; V126-C161 HydrophobicContact CB-CB 4.33Å; V126-C161 HydrophobicContact CG1-CB 4.09Å; V126-C161 WeakPolarHBondContact O-CA 3.27Å; V126-T162 PolarHBondContact O-N 3.26Å
127	F	98.1	Very high	96	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.8	172.1	-64.3	-87.9	0	0	0	110.4	V91 L92 I93 Y94 K125 T162 F164 I180 Q183	V91-F127 HydrophobicContact CG1-CD2 3.59Å; V91-F127 HydrophobicContact CG1-CE2 3.8Å; V91-F127 HydrophobicContact CG2-CE2 4.33Å; L92-F127 PolarHBondContact O-N 3.44Å; I93-F127 CarbonylContact C-O 3.59Å; I93-F127 WeakPolarHBondContact CA-O 3.33Å; Y94-F127 PolarHBondContact N-O 2.83Å; K125-F127 HydrophobicContact CB-CE2 4Å; F127-T162 CarbonylContact C-O 3.05Å; F127-T162 VanDerWaalsContact CA-O 3.31Å; F127-T162 WeakPolarHBondContact CA-O 3.4Å; F127-T162 HydrophobicContact CD1-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 4.28Å; F127-F164 HydrophobicContact CD1-CD2 4.37Å; F127-F164 AromaticContact CD1-CE2 3.74Å; F127-F164 HydrophobicContact CD1-CE2 3.74Å; F127-F164 HydrophobicContact CE1-CE2 4.07Å; F127-I180 HydrophobicContact CB-CD1 4.32Å; F127-I180 HydrophobicContact CB-CG1 4.29Å; F127-I180 HydrophobicContact CD1-CG1 3.75Å; F127-I180 HydrophobicContact CD2-CG1 3.9Å; F127-I180 HydrophobicContact CD2-CG2 4.48Å; F127-I180 HydrophobicContact CE1-CG1 3.9Å; F127-I180 HydrophobicContact CE2-CB 4.46Å; F127-I180 HydrophobicContact CE2-CG1 4.04Å; F127-I180 HydrophobicContact CE2-CG2 4.3Å; F127-I180 HydrophobicContact CG-CD1 4.27Å; F127-I180 HydrophobicContact CG-CG1 3.71Å; F127-I180 HydrophobicContact CZ-CB 4.46Å; F127-I180 HydrophobicContact CZ-CG1 4.01Å; F127-Q183 HydrophobicContact CZ-CG 4.44Å
128	C	97.9	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.4	176.9	-63.5	0	0	0	0	109.3	Y94 F96 Y110 L152 T162 C163 F164	Y94-C128 CarbonylContact O-C 3.59Å; Y94-C128 WeakPolarHBondContact O-CA 3.49Å; F96-C128 HydrophobicContact CD2-CB 4.47Å; F96-C128 HydrophobicContact CE2-CB 4.15Å; Y110-C128 VanDerWaalsContact CZ-SG 3.58Å; Y110-C128 PolarHBondContact OH-SG 3.37Å; C128-L152 HydrophobicContact CB-CD1 3.9Å; C128-T162 PolarHBondContact N-O 3.23Å; C128-C163 CarbonylContact O-C 3.57Å; C128-C163 VanDerWaalsContact O-CA 3.24Å; C128-C163 WeakPolarHBondContact O-CA 3.37Å; C128-F164 PolarHBondContact O-N 3.36Å
129	L	98.3	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.7	178.1	-54.6	-173.3	0	0	0	108.7	M27 I93 Y94 F96 H131 F164 T166 A176	M27-L129 HydrophobicContact CE-CD1 4.13Å; M27-L129 HydrophobicContact SD-CD1 3.87Å; I93-L129 HydrophobicContact CG2-CD1 3.56Å; I93-L129 HydrophobicContact CG2-CG 3.82Å; Y94-L129 PolarHBondContact O-N 3.49Å; F96-L129 PolarHBondContact N-O 2.93Å; L129-H131 PolarHBondContact O-N 3.08Å; L129-F164 CarbonylContact C-O 3.52Å; L129-F164 WeakPolarHBondContact CA-O 3.25Å; L129-F164 HydrophobicContact CD2-CB 3.78Å; L129-F164 HydrophobicContact CD2-CD2 3.93Å; L129-F164 HydrophobicContact CD2-CG 4.33Å; L129-T166 HydrophobicContact CD2-CG2 4.15Å; L129-A176 HydrophobicContact CD2-CB 3.93Å
130	V	97.9	Very high	95.9	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	101.5	166.3	-174.7	0	0	0	0	106.4	V98 M133 F145 R148 L152 F164 R165 T166	V98-V130 HydrophobicContact CB-CG1 4.3Å; V98-V130 HydrophobicContact CG2-CG1 4.34Å; V130-M133 HydrophobicContact CG1-CG 4.43Å; V130-M133 HydrophobicContact CG1-SD 3.81Å; V130-M133 WeakPolarHBondContact O-CG 3.36Å; V130-F145 HydrophobicContact CB-CD2 4.33Å; V130-F145 HydrophobicContact CG2-CD2 4.24Å; V130-F145 HydrophobicContact CG2-CE2 4.39Å; V130-R148 HydrophobicContact CG2-CB 4.13Å; V130-L152 HydrophobicContact CG2-CD1 4.33Å; V130-F164 PolarHBondContact N-O 3Å; V130-R165 CarbonylContact O-C 3.58Å; V130-R165 WeakPolarHBondContact O-CA 3.45Å; V130-T166 PolarHBondContact O-N 3.1Å
131	H	98	Very high	95.9	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	164	-167.4	-161.3	59.9	0	0	0	112.4	S22 M27 V95 F96 V98 L129 M133 T166	S22-H131 PolarHBondContact O-CD2 3.2Å; M27-H131 VanDerWaalsContact SD-CE1 3.57Å; V95-H131 HydrophobicContact CG1-CB 3.75Å; F96-H131 WeakPolarHBondContact O-CA 3.39Å; F96-H131 WeakPolarHBondContact O-CB 3.36Å; F96-H131 PolarHBondContact O-N 2.99Å; V98-H131 WeakPolarHBondContact CB-O 3.24Å; V98-H131 WeakPolarHBondContact CG1-O 3.23Å; V98-H131 PolarHBondContact N-O 2.91Å; V98-H131 VanDerWaalsContact N-O 3.1Å; L129-H131 PolarHBondContact O-N 3.08Å; H131-M133 VanDerWaalsContact C-N 3.33Å; H131-T166 CarbonylContact C-O 3.5Å; H131-T166 WeakPolarHBondContact CA-O 3.37Å; H131-T166 PolarHBondContact ND1-O 3.4Å; H131-T166 PolarHBondContact ND1-OG1 3.15Å
132	K	97.3	Very high	95.9	Very high	52 Å²	52	55.2 Å²	55.2	23%	0.226	28%	0.277	C	S	.	.			trans	63.1	33	-176	-50.1	-171.9	-170.7	165.5	0	114.4	G21 D97 V98 D134 L135 T166	G21-K132 VanDerWaalsContact O-CE 3.27Å; G21-K132 WeakPolarHBondContact O-CE 3.48Å; G21-K132 PolarHBondContact O-NZ 3.23Å; D97-K132 IonicContact OD1-NZ 3.79Å; D97-K132 WeakPolarHBondContact OD2-CE 3.47Å; D97-K132 IonicContact OD2-NZ 2.8Å; D97-K132 PolarHBondContact OD2-NZ 3.38Å; V98-K132 HydrophobicContact CG1-CB 4.24Å; V98-K132 VanDerWaalsContact CG1-O 3.24Å; V98-K132 WeakPolarHBondContact CG1-O 3.24Å; K132-D134 VanDerWaalsContact CA-OD1 3.25Å; K132-D134 WeakPolarHBondContact CA-OD1 3.45Å; K132-D134 PolarHBondContact O-N 2.99Å; K132-L135 HydrophobicContact CB-CD1 3.86Å; K132-L135 HydrophobicContact CB-CG 4.31Å; K132-L135 HydrophobicContact CD-CD1 4.07Å; K132-L135 WeakPolarHBondContact O-CB 3.39Å; K132-L135 PolarHBondContact O-N 3.37Å; K132-T166 PolarHBondContact N-O 2.96Å; K132-T166 VanDerWaalsContact N-O 3.09Å
133	M	96.8	Very high	96	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.025	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.4	-11.4	179.6	-71.2	-69.9	-58.2	0	0	113.7	V98 V130 H131 L135 V136 R141 F145 R165 T166	V98-M133 HydrophobicContact CB-SD 4.08Å; V98-M133 HydrophobicContact CG1-SD 4.47Å; V98-M133 HydrophobicContact CG2-SD 3.69Å; V130-M133 HydrophobicContact CG1-CG 4.43Å; V130-M133 HydrophobicContact CG1-SD 3.81Å; V130-M133 WeakPolarHBondContact O-CG 3.36Å; H131-M133 VanDerWaalsContact C-N 3.33Å; M133-L135 PolarHBondContact O-N 3.16Å; M133-V136 HydrophobicContact CE-CB 4.48Å; M133-V136 PolarHBondContact O-N 3.29Å; M133-V136 HydrophobicContact SD-CG2 4.38Å; M133-R141 HydrophobicContact CE-CB 3.74Å; M133-R141 HydrophobicContact CE-CG 3.94Å; M133-R141 WeakPolarHBondContact CE-O 3.3Å; M133-R141 PolarHBondContact O-NE 3.03Å; M133-F145 HydrophobicContact CE-CB 4.48Å; M133-R165 HydrophobicContact CG-CB 3.92Å; M133-T166 PolarHBondContact N-O 3.41Å
134	D	95.8	Very high	96.1	Very high	46 Å²	46	52 Å²	52	25%	0.246	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59	-27.9	168	50.3	-70.3	0	0	0	113.7	K132 V136 R141 S167 W169	K132-D134 VanDerWaalsContact CA-OD1 3.25Å; K132-D134 WeakPolarHBondContact CA-OD1 3.45Å; K132-D134 PolarHBondContact O-N 2.99Å; D134-V136 VanDerWaalsContact C-N 3.26Å; D134-V136 PolarHBondContact O-N 2.91Å; D134-R141 PolarHBondContact O-NH2 2.74Å; D134-S167 WeakPolarHBondContact CB-OG 3.27Å; D134-S167 WeakPolarHBondContact OD1-CB 3.38Å; D134-S167 PolarHBondContact OD1-OG 3.16Å; D134-W169 VanDerWaalsContact CG-CD1 3.43Å; D134-W169 PolarHBondContact OD2-NE1 3.1Å
135	L	95.3	Very high	96.1	Very high	83 Å²	83	52.9 Å²	52.9	44%	0.435	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-78.1	-14.5	179.7	-56.5	176.3	0	0	0	112.6	E99 K132 M133	E99-L135 HydrophobicContact CG-CB 4.14Å; E99-L135 HydrophobicContact CG-CD1 3.81Å; E99-L135 WeakPolarHBondContact OE2-CD1 3.27Å; K132-L135 HydrophobicContact CB-CD1 3.86Å; K132-L135 HydrophobicContact CB-CG 4.31Å; K132-L135 HydrophobicContact CD-CD1 4.07Å; K132-L135 WeakPolarHBondContact O-CB 3.39Å; K132-L135 PolarHBondContact O-N 3.37Å; M133-L135 PolarHBondContact O-N 3.16Å
136	V	95.6	Very high	96.1	Very high	20 Å²	20	54.8 Å²	54.8	12%	0.121	27%	0.266	C	S	.	.	S	Bend	trans	-92.5	139.8	176.4	179.1	0	0	0	0	109.8	V98 M133 D134 Q140 R141 I144	V98-V136 HydrophobicContact CB-CG2 4.44Å; V98-V136 HydrophobicContact CG1-CG2 3.91Å; V98-V136 HydrophobicContact CG2-CG2 3.65Å; M133-V136 HydrophobicContact CE-CB 4.48Å; M133-V136 PolarHBondContact O-N 3.29Å; M133-V136 HydrophobicContact SD-CG2 4.38Å; D134-V136 VanDerWaalsContact C-N 3.26Å; D134-V136 PolarHBondContact O-N 2.91Å; V136-Q140 HydrophobicContact CG1-CB 3.93Å; V136-R141 HydrophobicContact CB-CG 4.06Å; V136-R141 HydrophobicContact CG1-CG 3.89Å; V136-R141 PolarHBondContact O-NE 2.73Å; V136-R141 PolarHBondContact O-NH2 2.88Å; V136-I144 HydrophobicContact CG1-CD1 3.73Å; V136-I144 HydrophobicContact CG2-CD1 4.46Å
137	Q	94.6	Very high	96	Very high	144 Å²	144	59.9 Å²	59.9	67%	0.673	29%	0.29	S	S	*	.			trans	-61.7	138.4	173.8	-62.4	-174.6	-0.1	0	0	111.1	D139 Q140 R141	Q137-D139 VanDerWaalsContact C-N 3.28Å; Q137-D139 WeakPolarHBondContact CB-OD1 3.3Å; Q137-D139 PolarHBondContact O-N 3.22Å; Q137-Q140 HydrophobicContact CB-CG 4.5Å; Q137-Q140 PolarHBondContact O-N 3.34Å; Q137-R141 WeakPolarHBondContact O-CG 3.31Å; Q137-R141 PolarHBondContact O-N 2.89Å
138	E	93	Very high	95.9	Very high	155 Å²	155	62.6 Å²	62.6	72%	0.724	30%	0.3	S	S	*	.	H	α-helix	trans	-56.4	-39.1	-167.9	-169.7	173.9	176.5	0	0	113.7	Q140 R141	E138-Q140 VanDerWaalsContact C-N 3.28Å; E138-Q140 PolarHBondContact O-N 2.85Å; E138-R141 PolarHBondContact O-N 3.05Å
139	D	94.8	Very high	95.8	Very high	108 Å²	108	64.6 Å²	64.6	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-64.2	-28.9	176.9	65.1	-49.8	0	0	0	113.3	Q137	Q137-D139 VanDerWaalsContact C-N 3.28Å; Q137-D139 WeakPolarHBondContact CB-OD1 3.3Å; Q137-D139 PolarHBondContact O-N 3.22Å
140	Q	94.5	Very high	95.6	Very high	77 Å²	77	71.2 Å²	71.2	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-91.5	-15	179.7	-59.6	-61.5	-49.4	0	0	113.1	V136 Q137 E138 D142 L143 I144	V136-Q140 HydrophobicContact CG1-CB 3.93Å; Q137-Q140 HydrophobicContact CB-CG 4.5Å; Q137-Q140 PolarHBondContact O-N 3.34Å; E138-Q140 VanDerWaalsContact C-N 3.28Å; E138-Q140 PolarHBondContact O-N 2.85Å; Q140-D142 PolarHBondContact O-N 3.41Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q140-I144 HydrophobicContact CB-CD1 4.15Å; Q140-I144 WeakPolarHBondContact O-CG1 3.15Å; Q140-I144 PolarHBondContact O-N 2.83Å
141	R	94.7	Very high	95.5	Very high	59 Å²	59	72.9 Å²	72.9	22%	0.223	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-41.4	-172.3	-69.8	-178.3	-175.7	169.2	-0.7	113.2	M133 D134 V136 Q137 E138 F145	M133-R141 HydrophobicContact CE-CB 3.74Å; M133-R141 HydrophobicContact CE-CG 3.94Å; M133-R141 WeakPolarHBondContact CE-O 3.3Å; M133-R141 PolarHBondContact O-NE 3.03Å; D134-R141 PolarHBondContact O-NH2 2.74Å; V136-R141 HydrophobicContact CB-CG 4.06Å; V136-R141 HydrophobicContact CG1-CG 3.89Å; V136-R141 PolarHBondContact O-NE 2.73Å; V136-R141 PolarHBondContact O-NH2 2.88Å; Q137-R141 WeakPolarHBondContact O-CG 3.31Å; Q137-R141 PolarHBondContact O-N 2.89Å; E138-R141 PolarHBondContact O-N 3.05Å; R141-F145 WeakPolarHBondContact O-CB 3.47Å; R141-F145 PolarHBondContact O-N 2.95Å; R141-F145 VanDerWaalsContact O-N 3.12Å
142	D	94.7	Very high	95.3	Very high	85 Å²	85	72.8 Å²	72.8	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-68.8	-41.1	179.3	-78.7	-34.8	0	0	0	111.8	Q140 K146 R165	Q140-D142 PolarHBondContact O-N 3.41Å; D142-K146 WeakPolarHBondContact O-CB 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 2.84Å; D142-R165 IonicContact OD1-CZ 3.02Å; D142-R165 IonicContact OD1-NH1 3.17Å; D142-R165 PolarHBondContact OD1-NH1 3.36Å; D142-R165 IonicContact OD1-NH2 2.71Å; D142-R165 PolarHBondContact OD1-NH2 2.83Å
143	L	95.9	Very high	95.2	Very high	107 Å²	107	75 Å²	75	56%	0.56	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-54	-179.2	-178.7	64.8	0	0	0	110.9	Q140 F145 K146 E147	Q140-L143 PolarHBondContact O-N 2.86Å; L143-F145 VanDerWaalsContact C-N 3.3Å; L143-F145 PolarHBondContact O-N 3.37Å; L143-K146 PolarHBondContact O-N 2.87Å; L143-E147 PolarHBondContact O-N 3.3Å; L143-E147 VanDerWaalsContact O-N 3.08Å
144	I	95.2	Very high	95.1	Very high	46 Å²	46	82 Å²	82	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-61.6	-41.1	-179.7	-67	176.1	0	0	0	110.5	V98 V136 Q140 R148	V98-I144 HydrophobicContact CG2-CG2 4.17Å; V136-I144 HydrophobicContact CG1-CD1 3.73Å; V136-I144 HydrophobicContact CG2-CD1 4.46Å; Q140-I144 HydrophobicContact CB-CD1 4.15Å; Q140-I144 WeakPolarHBondContact O-CG1 3.15Å; Q140-I144 PolarHBondContact O-N 2.83Å; I144-R148 HydrophobicContact CG2-CG 4.36Å; I144-R148 WeakPolarHBondContact O-CB 3.27Å; I144-R148 VanDerWaalsContact O-CG 3.23Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 2.97Å
145	F	96.9	Very high	94.9	Very high	26 Å²	26	82.2 Å²	82.2	11%	0.114	39%	0.385	C	S	.	.	H	α-helix	trans	-62.9	-44.5	178.5	175.4	-106.8	0	0	0	112.2	V130 M133 R141 L143 R148 E149 C163 R165	V130-F145 HydrophobicContact CB-CD2 4.33Å; V130-F145 HydrophobicContact CG2-CD2 4.24Å; V130-F145 HydrophobicContact CG2-CE2 4.39Å; M133-F145 HydrophobicContact CE-CB 4.48Å; R141-F145 WeakPolarHBondContact O-CB 3.47Å; R141-F145 PolarHBondContact O-N 2.95Å; R141-F145 VanDerWaalsContact O-N 3.12Å; L143-F145 VanDerWaalsContact C-N 3.3Å; L143-F145 PolarHBondContact O-N 3.37Å; F145-R148 PolarHBondContact O-N 2.94Å; F145-E149 HydrophobicContact CZ-CB 4.39Å; F145-E149 VanDerWaalsContact O-CB 3.24Å; F145-E149 WeakPolarHBondContact O-CB 3Å; F145-E149 PolarHBondContact O-N 2.91Å; F145-C163 HydrophobicContact CE2-CB 4.05Å; F145-C163 HydrophobicContact CZ-CB 3.97Å; F145-R165 HydrophobicContact CB-CB 4.48Å; F145-R165 HydrophobicContact CD2-CB 3.64Å; F145-R165 HydrophobicContact CD2-CG 4.3Å; F145-R165 HydrophobicContact CE2-CB 4.06Å; F145-R165 HydrophobicContact CG-CB 4.03Å; F145-R165 HydrophobicContact CG-CG 4.33Å
146	K	96.3	Very high	94.8	Very high	126 Å²	126	78.3 Å²	78.3	55%	0.548	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-44.2	179.2	-77.3	179.7	178.7	-179.5	0	112.3	D142 L143 R148 E149 E150	D142-K146 WeakPolarHBondContact O-CB 3.3Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 2.84Å; L143-K146 PolarHBondContact O-N 2.87Å; K146-R148 PolarHBondContact O-N 3.21Å; K146-E149 PolarHBondContact O-N 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.48Å; K146-E150 PolarHBondContact O-N 2.91Å
147	E	95.4	Very high	94.6	Very high	111 Å²	111	86.9 Å²	86.9	52%	0.519	40%	0.395	S	S	.	.	H	α-helix	trans	-58.4	-48.6	176.4	-173.8	-177.4	175.5	0	0	111.1	L143 E149 E150 D151	L143-E147 PolarHBondContact O-N 3.3Å; L143-E147 VanDerWaalsContact O-N 3.08Å; E147-E149 PolarHBondContact O-N 2.99Å; E147-E150 PolarHBondContact O-N 3.21Å; E147-D151 PolarHBondContact O-N 3.4Å; E147-D151 VanDerWaalsContact O-N 3.1Å
148	R	94.3	Very high	94.4	Very high	57 Å²	57	85.3 Å²	85.3	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-63.7	-40	176.6	-65.7	-60.3	-175.6	-169.7	-0.3	112.7	V130 I144 F145 K146 D151 L152	V130-R148 HydrophobicContact CG2-CB 4.13Å; I144-R148 HydrophobicContact CG2-CG 4.36Å; I144-R148 WeakPolarHBondContact O-CB 3.27Å; I144-R148 VanDerWaalsContact O-CG 3.23Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 2.97Å; F145-R148 PolarHBondContact O-N 2.94Å; K146-R148 PolarHBondContact O-N 3.21Å; R148-D151 PolarHBondContact O-N 3.47Å; R148-L152 VanDerWaalsContact O-CB 3.29Å; R148-L152 WeakPolarHBondContact O-CB 3.32Å; R148-L152 WeakPolarHBondContact O-CD1 3.42Å; R148-L152 WeakPolarHBondContact O-CG 3.48Å; R148-L152 PolarHBondContact O-N 3.21Å
149	E	96	Very high	94.3	Very high	43 Å²	43	79 Å²	79	20%	0.201	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-42.5	178.9	176.3	174	-151	0	0	111.5	F145 K146 E147 K153 C163	F145-E149 HydrophobicContact CZ-CB 4.39Å; F145-E149 VanDerWaalsContact O-CB 3.24Å; F145-E149 WeakPolarHBondContact O-CB 3Å; F145-E149 PolarHBondContact O-N 2.91Å; K146-E149 PolarHBondContact O-N 3.28Å; E147-E149 PolarHBondContact O-N 2.99Å; E149-K153 HydrophobicContact CG-CD 4.03Å; E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 VanDerWaalsContact O-CG 3.26Å; E149-K153 WeakPolarHBondContact O-CG 3.24Å; E149-K153 PolarHBondContact O-N 3.28Å; E149-K153 VanDerWaalsContact OE1-CE 3.22Å; E149-K153 WeakPolarHBondContact OE1-CE 3.42Å; E149-K153 IonicContact OE1-NZ 3.98Å; E149-K153 PolarHBondContact OE1-NZ 2.84Å; E149-K153 IonicContact OE2-NZ 2.84Å; E149-C163 HydrophobicContact CB-CB 4.15Å; E149-C163 HydrophobicContact CG-CB 3.84Å
150	E	95.6	Very high	94.2	Very high	138 Å²	138	78.1 Å²	78.1	65%	0.645	38%	0.376	S	S	*	.	H	α-helix	trans	-64.8	-46.3	177.2	-73.7	179	-172.9	0	0	111.9	K146 E147 K153 R154	K146-E150 WeakPolarHBondContact O-CG 3.48Å; K146-E150 PolarHBondContact O-N 2.91Å; E147-E150 PolarHBondContact O-N 3.21Å; E150-K153 PolarHBondContact O-N 3.36Å; E150-R154 WeakPolarHBondContact O-CB 3.45Å; E150-R154 PolarHBondContact O-N 2.95Å
151	D	94.1	Very high	94.2	Very high	40 Å²	40	75.1 Å²	75.1	21%	0.214	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-47.2	176.4	-81.4	-21.5	0	0	0	111.9	E147 R148 R154 L155	E147-D151 PolarHBondContact O-N 3.4Å; E147-D151 VanDerWaalsContact O-N 3.1Å; R148-D151 PolarHBondContact O-N 3.47Å; D151-R154 PolarHBondContact O-N 3.42Å; D151-R154 IonicContact OD1-CZ 3.46Å; D151-R154 IonicContact OD1-NH1 3.82Å; D151-R154 IonicContact OD1-NH2 2.7Å; D151-R154 PolarHBondContact OD1-NH2 3.35Å; D151-L155 WeakPolarHBondContact O-CB 3.41Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.4Å; D151-L155 PolarHBondContact O-N 3.02Å
152	L	95.1	Very high	94.3	Very high	1 Å²	1	75 Å²	75	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-48.5	178.2	-72.8	169.9	0	0	0	110.7	F96 M107 Y110 C128 V130 R148 R154 L155 S156	F96-L152 HydrophobicContact CD2-CD1 4.19Å; F96-L152 HydrophobicContact CD2-CD2 4.3Å; F96-L152 HydrophobicContact CE1-CD2 4.27Å; F96-L152 HydrophobicContact CE2-CD1 4.04Å; F96-L152 HydrophobicContact CE2-CD2 3.48Å; F96-L152 VanDerWaalsContact CE2-CD2 3.48Å; F96-L152 HydrophobicContact CE2-CG 4.43Å; F96-L152 HydrophobicContact CZ-CD2 3.46Å; F96-L152 VanDerWaalsContact CZ-CD2 3.46Å; M107-L152 HydrophobicContact CE-CD2 3.9Å; M107-L152 HydrophobicContact CE-CG 4.45Å; M107-L152 HydrophobicContact SD-CD2 3.94Å; Y110-L152 HydrophobicContact CD1-CD2 4.16Å; Y110-L152 HydrophobicContact CE1-CD2 3.95Å; C128-L152 HydrophobicContact CB-CD1 3.9Å; V130-L152 HydrophobicContact CG2-CD1 4.33Å; R148-L152 VanDerWaalsContact O-CB 3.29Å; R148-L152 WeakPolarHBondContact O-CB 3.32Å; R148-L152 WeakPolarHBondContact O-CD1 3.42Å; R148-L152 WeakPolarHBondContact O-CG 3.48Å; R148-L152 PolarHBondContact O-N 3.21Å; L152-R154 PolarHBondContact O-N 2.8Å; L152-L155 PolarHBondContact O-N 2.58Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 3.05Å; L152-S156 PolarHBondContact O-OG 2.83Å
153	K	94.9	Very high	94.4	Very high	97 Å²	97	71.3 Å²	71.3	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-34.4	177.1	-76.7	175.5	-176.5	168.8	0	113.1	E149 E150	E149-K153 HydrophobicContact CG-CD 4.03Å; E149-K153 WeakPolarHBondContact O-CB 3.48Å; E149-K153 VanDerWaalsContact O-CG 3.26Å; E149-K153 WeakPolarHBondContact O-CG 3.24Å; E149-K153 PolarHBondContact O-N 3.28Å; E149-K153 VanDerWaalsContact OE1-CE 3.22Å; E149-K153 WeakPolarHBondContact OE1-CE 3.42Å; E149-K153 IonicContact OE1-NZ 3.98Å; E149-K153 PolarHBondContact OE1-NZ 2.84Å; E149-K153 IonicContact OE2-NZ 2.84Å; E150-K153 PolarHBondContact O-N 3.36Å
154	R	94.6	Very high	94.5	Very high	154 Å²	154	67.7 Å²	67.7	58%	0.581	33%	0.33	S	S	*	.	H	α-helix	trans	-68.5	-46.6	175.2	-176.2	179.8	63.6	-152.9	-10.6	111.1	E150 D151 L152	E150-R154 WeakPolarHBondContact O-CB 3.45Å; E150-R154 PolarHBondContact O-N 2.95Å; D151-R154 PolarHBondContact O-N 3.42Å; D151-R154 IonicContact OD1-CZ 3.46Å; D151-R154 IonicContact OD1-NH1 3.82Å; D151-R154 IonicContact OD1-NH2 2.7Å; D151-R154 PolarHBondContact OD1-NH2 3.35Å; L152-R154 PolarHBondContact O-N 2.8Å
155	L	92.2	Very high	94.5	Very high	49 Å²	49	69.1 Å²	69.1	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-74.5	-23.5	-177.4	-65.3	170.2	0	0	0	113.3	M107 D151 L152 R157	M107-L155 HydrophobicContact CB-CD1 4.48Å; M107-L155 HydrophobicContact CG-CD1 4.14Å; M107-L155 HydrophobicContact SD-CD1 3.63Å; D151-L155 WeakPolarHBondContact O-CB 3.41Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.4Å; D151-L155 PolarHBondContact O-N 3.02Å; L152-L155 PolarHBondContact O-N 2.58Å; L152-L155 VanDerWaalsContact O-N 3.13Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 2.84Å
156	S	92.9	Very high	94.6	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.014	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.3	-179.8	-56.8	0	0	0	0	114.6	Y110 L152 L159 C161	Y110-S156 PolarHBondContact OH-OG 3.32Å; L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 3.05Å; L152-S156 PolarHBondContact O-OG 2.83Å; S156-L159 CarbonylContact C-O 3.44Å; S156-L159 WeakPolarHBondContact CB-O 3.43Å; S156-L159 WeakPolarHBondContact O-CA 3.41Å; S156-L159 WeakPolarHBondContact O-CB 3.39Å; S156-L159 PolarHBondContact O-N 3.05Å; S156-C161 WeakPolarHBondContact OG-CB 3.45Å; S156-C161 PolarHBondContact OG-SG 2.68Å
157	R	90.3	Very high	94.6	Very high	200 Å²	200	61.9 Å²	61.9	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	136.5	-176.3	-66.4	-177.3	-178.5	-173.5	0.9	110.7	L155	L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 2.84Å
158	P	91.3	Very high	94.7	Very high	110 Å²	110	58.1 Å²	58.1	71%	0.714	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.2	-4.5	11.3	34.2	-36.9	0	0	0	115.7	L118	L118-P158 HydrophobicContact CD1-CG 4.25Å; L118-P158 HydrophobicContact CD2-CG 3.93Å
159	L	90.9	Very high	94.7	Very high	23 Å²	23	61.5 Å²	61.5	12%	0.12	30%	0.297	C	S	.	.	S	Bend	trans	-75.8	143	-179.1	-64.9	168.4	0	0	0	111.1	L114 I117 L118 V126 S156	L114-L159 HydrophobicContact CB-CD1 4.46Å; L114-L159 HydrophobicContact CD2-CD1 4.05Å; I117-L159 HydrophobicContact CG2-CD1 4.11Å; L118-L159 HydrophobicContact CB-CD1 4.37Å; L118-L159 HydrophobicContact CD1-CD2 3.98Å; L118-L159 HydrophobicContact CD1-CG 4.18Å; V126-L159 HydrophobicContact CG2-CD1 4.36Å; S156-L159 CarbonylContact C-O 3.44Å; S156-L159 WeakPolarHBondContact CB-O 3.43Å; S156-L159 WeakPolarHBondContact O-CA 3.41Å; S156-L159 WeakPolarHBondContact O-CB 3.39Å; S156-L159 PolarHBondContact O-N 3.05Å
160	A	91.9	Very high	94.6	Very high	89 Å²	89	61.2 Å²	61.2	74%	0.736	30%	0.296	S	S	*	.			trans	-80.9	130.7	170.6	0	0	0	0	0	109.8
161	C	94.1	Very high	94.4	Very high	14 Å²	14	57 Å²	57	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.9	173.6	74.4	0	0	0	0	111.3	V126 S156	V126-C161 HydrophobicContact CB-CB 4.33Å; V126-C161 HydrophobicContact CG1-CB 4.09Å; V126-C161 WeakPolarHBondContact O-CA 3.27Å; S156-C161 WeakPolarHBondContact OG-CB 3.45Å; S156-C161 PolarHBondContact OG-SG 2.68Å
162	T	96.8	Very high	94.5	Very high	58 Å²	58	56.4 Å²	56.4	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.4	170.7	-56.2	0	0	0	0	108.9	V126 F127 C128 F164	V126-T162 PolarHBondContact O-N 3.26Å; F127-T162 CarbonylContact C-O 3.05Å; F127-T162 VanDerWaalsContact CA-O 3.31Å; F127-T162 WeakPolarHBondContact CA-O 3.4Å; F127-T162 HydrophobicContact CD1-CG2 4.22Å; F127-T162 HydrophobicContact CE1-CG2 4.28Å; C128-T162 PolarHBondContact N-O 3.23Å; T162-F164 HydrophobicContact CG2-CD2 4.47Å; T162-F164 HydrophobicContact CG2-CE2 3.71Å; T162-F164 HydrophobicContact CG2-CZ 3.73Å
163	C	97.4	Very high	94.6	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143	-177.5	-63.6	0	0	0	0	111.4	C128 F145 E149	C128-C163 CarbonylContact O-C 3.57Å; C128-C163 VanDerWaalsContact O-CA 3.24Å; C128-C163 WeakPolarHBondContact O-CA 3.37Å; F145-C163 HydrophobicContact CE2-CB 4.05Å; F145-C163 HydrophobicContact CZ-CB 3.97Å; E149-C163 HydrophobicContact CB-CB 4.15Å; E149-C163 HydrophobicContact CG-CB 3.84Å
164	F	97.8	Very high	94.5	Very high	30 Å²	30	52.3 Å²	52.3	13%	0.132	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.9	169.8	-63.2	-77.1	0	0	0	110.5	F127 C128 L129 V130 T162 T166 A176 S179	F127-F164 HydrophobicContact CD1-CD2 4.37Å; F127-F164 AromaticContact CD1-CE2 3.74Å; F127-F164 HydrophobicContact CD1-CE2 3.74Å; F127-F164 HydrophobicContact CE1-CE2 4.07Å; C128-F164 PolarHBondContact O-N 3.36Å; L129-F164 CarbonylContact C-O 3.52Å; L129-F164 WeakPolarHBondContact CA-O 3.25Å; L129-F164 HydrophobicContact CD2-CB 3.78Å; L129-F164 HydrophobicContact CD2-CD2 3.93Å; L129-F164 HydrophobicContact CD2-CG 4.33Å; V130-F164 PolarHBondContact N-O 3Å; T162-F164 HydrophobicContact CG2-CD2 4.47Å; T162-F164 HydrophobicContact CG2-CE2 3.71Å; T162-F164 HydrophobicContact CG2-CZ 3.73Å; F164-T166 HydrophobicContact CB-CG2 4.19Å; F164-A176 HydrophobicContact CB-CB 3.79Å; F164-A176 HydrophobicContact CD1-CB 4.36Å; F164-A176 HydrophobicContact CD2-CB 3.93Å; F164-A176 HydrophobicContact CG-CB 3.77Å; F164-S179 WeakPolarHBondContact CZ-OG 3.47Å
165	R	96.8	Very high	94.5	Very high	77 Å²	77	49 Å²	49	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.5	161.1	55.3	174.4	-176.4	-162.4	-6.1	109.3	V130 M133 D142 F145 T172	V130-R165 CarbonylContact O-C 3.58Å; V130-R165 WeakPolarHBondContact O-CA 3.45Å; M133-R165 HydrophobicContact CG-CB 3.92Å; D142-R165 IonicContact OD1-CZ 3.02Å; D142-R165 IonicContact OD1-NH1 3.17Å; D142-R165 PolarHBondContact OD1-NH1 3.36Å; D142-R165 IonicContact OD1-NH2 2.71Å; D142-R165 PolarHBondContact OD1-NH2 2.83Å; F145-R165 HydrophobicContact CB-CB 4.48Å; F145-R165 HydrophobicContact CD2-CB 3.64Å; F145-R165 HydrophobicContact CD2-CG 4.3Å; F145-R165 HydrophobicContact CE2-CB 4.06Å; F145-R165 HydrophobicContact CG-CB 4.03Å; F145-R165 HydrophobicContact CG-CG 4.33Å; R165-T172 WeakPolarHBondContact O-CB 3.35Å
166	T	97.7	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146	-176.7	54.1	0	0	0	0	112.3	L129 V130 H131 K132 M133 F164 T172 A176	L129-T166 HydrophobicContact CD2-CG2 4.15Å; V130-T166 PolarHBondContact O-N 3.1Å; H131-T166 CarbonylContact C-O 3.5Å; H131-T166 WeakPolarHBondContact CA-O 3.37Å; H131-T166 PolarHBondContact ND1-O 3.4Å; H131-T166 PolarHBondContact ND1-OG1 3.15Å; K132-T166 PolarHBondContact N-O 2.96Å; K132-T166 VanDerWaalsContact N-O 3.09Å; M133-T166 PolarHBondContact N-O 3.41Å; F164-T166 HydrophobicContact CB-CG2 4.19Å; T166-T172 VanDerWaalsContact CA-OG1 3.28Å; T166-T172 WeakPolarHBondContact CA-OG1 3.45Å; T166-A176 HydrophobicContact CG2-CB 3.55Å
167	S	97.3	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.			trans	-137.6	149.1	163.8	-178	0	0	0	0	110.3	D134 W169 T172 L173	D134-S167 WeakPolarHBondContact CB-OG 3.27Å; D134-S167 WeakPolarHBondContact OD1-CB 3.38Å; D134-S167 PolarHBondContact OD1-OG 3.16Å; S167-W169 PolarHBondContact O-N 2.93Å; S167-W169 PolarHBondContact OG-N 3.15Å; S167-T172 PolarHBondContact N-OG1 2.79Å; S167-L173 WeakPolarHBondContact O-CB 3.48Å
168	I	96.1	Very high	95	Very high	31 Å²	31	37.8 Å²	37.8	16%	0.159	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.6	171.6	61.8	171.7	0	0	0	113.2	M27 I30 A37 L173	M27-I168 HydrophobicContact CG-CG2 4.36Å; I30-I168 HydrophobicContact CD1-CB 3.54Å; I30-I168 HydrophobicContact CD1-CG2 3.55Å; A37-I168 HydrophobicContact CB-CB 4.34Å; A37-I168 HydrophobicContact CB-CD1 4.12Å; A37-I168 HydrophobicContact CB-CG1 4.17Å; A37-I168 WeakPolarHBondContact CB-O 3.49Å; I168-L173 HydrophobicContact CG2-CD2 4.35Å
169	W	94.6	Very high	95.1	Very high	129 Å²	129	34.4 Å²	34.4	49%	0.489	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-10.4	-175.7	-61.1	102.1	0	0	0	113.7	A37 D134 S167	A37-W169 HydrophobicContact CB-CD2 4.17Å; A37-W169 HydrophobicContact CB-CE3 3.85Å; A37-W169 HydrophobicContact CB-CH2 4.28Å; A37-W169 HydrophobicContact CB-CZ3 3.92Å; D134-W169 VanDerWaalsContact CG-CD1 3.43Å; D134-W169 PolarHBondContact OD2-NE1 3.1Å; S167-W169 PolarHBondContact O-N 2.93Å; S167-W169 PolarHBondContact OG-N 3.15Å
170	D	93.4	Very high	95.2	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.193	18%	0.176	C	C	.	.	S	Bend	trans	-134.6	-179.3	-175.7	67.8	25.5	0	0	0	112.3	T172	D170-T172 VanDerWaalsContact C-N 3.26Å; D170-T172 PolarHBondContact O-N 3.17Å; D170-T172 VanDerWaalsContact OD1-CB 3.27Å; D170-T172 WeakPolarHBondContact OD1-CB 3.28Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.45Å; D170-T172 PolarHBondContact OD1-N 3.09Å; D170-T172 PolarHBondContact OD1-OG1 2.9Å
171	E	92.9	Very high	95.2	Very high	50 Å²	50	29.2 Å²	29.2	23%	0.234	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.2	-178.8	65.9	-91.1	-150.2	0	0	114.2	L173 Y174 K175 E233 K234 N237	E171-L173 PolarHBondContact O-N 2.51Å; E171-L173 VanDerWaalsContact O-N 3.15Å; E171-Y174 WeakPolarHBondContact O-CB 3.32Å; E171-Y174 PolarHBondContact O-N 3.02Å; E171-K175 PolarHBondContact O-N 3.42Å; E171-K175 VanDerWaalsContact O-N 3.15Å; E171-E233 HydrophobicContact CB-CB 3.93Å; E171-E233 HydrophobicContact CB-CG 3.73Å; E171-E233 HydrophobicContact CG-CB 4.31Å; E171-E233 HydrophobicContact CG-CG 3.52Å; E171-E233 WeakPolarHBondContact O-CB 3.4Å; E171-K234 HydrophobicContact CB-CG 4.24Å; E171-K234 HydrophobicContact CG-CG 3.86Å; E171-K234 WeakPolarHBondContact OE1-CE 3.28Å; E171-N237 HydrophobicContact CB-CB 4.46Å
172	T	96	Very high	95	Very high	28 Å²	28	32.5 Å²	32.5	17%	0.172	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-28.9	-172.3	65.4	0	0	0	0	112.1	R165 T166 S167 D170 K175 A176	R165-T172 WeakPolarHBondContact O-CB 3.35Å; T166-T172 VanDerWaalsContact CA-OG1 3.28Å; T166-T172 WeakPolarHBondContact CA-OG1 3.45Å; S167-T172 PolarHBondContact N-OG1 2.79Å; D170-T172 VanDerWaalsContact C-N 3.26Å; D170-T172 PolarHBondContact O-N 3.17Å; D170-T172 VanDerWaalsContact OD1-CB 3.27Å; D170-T172 WeakPolarHBondContact OD1-CB 3.28Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.45Å; D170-T172 PolarHBondContact OD1-N 3.09Å; D170-T172 PolarHBondContact OD1-OG1 2.9Å; T172-K175 WeakPolarHBondContact O-CB 3.28Å; T172-K175 PolarHBondContact O-N 3.41Å; T172-A176 PolarHBondContact O-N 3.18Å; T172-A176 VanDerWaalsContact O-N 3.1Å
173	L	96.1	Very high	94.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-45.1	171.8	-177.5	66.2	0	0	0	112.2	M27 I30 I31 S167 I168 E171 K175 A176 W177	M27-L173 HydrophobicContact CB-CD1 4Å; M27-L173 HydrophobicContact CG-CD1 3.5Å; M27-L173 HydrophobicContact CG-CD2 4.4Å; M27-L173 HydrophobicContact SD-CD1 3.47Å; M27-L173 WeakPolarHBondContact SD-CD1 3.46Å; I30-L173 HydrophobicContact CB-CD2 4.39Å; I30-L173 HydrophobicContact CD1-CD2 4.39Å; I30-L173 HydrophobicContact CG2-CD2 4.12Å; I31-L173 HydrophobicContact CD1-CD2 4.15Å; I31-L173 HydrophobicContact CD1-CG 4.16Å; I31-L173 HydrophobicContact CG1-CD2 4.32Å; I31-L173 HydrophobicContact CG1-CG 4.44Å; S167-L173 WeakPolarHBondContact O-CB 3.48Å; I168-L173 HydrophobicContact CG2-CD2 4.35Å; E171-L173 PolarHBondContact O-N 2.51Å; E171-L173 VanDerWaalsContact O-N 3.15Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.05Å; L173-A176 PolarHBondContact O-N 3.41Å; L173-W177 VanDerWaalsContact CD1-CD1 3.5Å; L173-W177 PolarHBondContact O-N 3.44Å
174	Y	94.4	Very high	94.2	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-39.6	178.2	-73	-91.3	0	0	0	110.9	I31 E171 A176 W177 S178 L216 N237 K240	I31-Y174 HydrophobicContact CD1-CD1 4.03Å; I31-Y174 HydrophobicContact CD1-CE1 3.87Å; I31-Y174 HydrophobicContact CD1-CG 4.43Å; E171-Y174 WeakPolarHBondContact O-CB 3.32Å; E171-Y174 PolarHBondContact O-N 3.02Å; Y174-A176 PolarHBondContact O-N 2.95Å; Y174-W177 PolarHBondContact O-N 2.96Å; Y174-S178 WeakPolarHBondContact O-CB 3.21Å; Y174-S178 PolarHBondContact O-N 2.83Å; Y174-S178 PolarHBondContact O-OG 3.45Å; Y174-L216 HydrophobicContact CD1-CD2 3.93Å; Y174-N237 HydrophobicContact CD2-CB 4Å; Y174-N237 HydrophobicContact CE2-CB 3.97Å; Y174-K240 HydrophobicContact CE1-CG 4.44Å; Y174-K240 WeakPolarHBondContact OH-CG 3.34Å
175	K	94.5	Very high	93.6	Very high	84 Å²	84	32.5 Å²	32.5	37%	0.365	15%	0.149	S	C	.	.	H	α-helix	trans	-56.1	-50.7	174.8	-172.7	-175.3	-171.8	161.3	0	111.9	E171 T172 L173 S178 S179 H230 E233	E171-K175 PolarHBondContact O-N 3.42Å; E171-K175 VanDerWaalsContact O-N 3.15Å; T172-K175 WeakPolarHBondContact O-CB 3.28Å; T172-K175 PolarHBondContact O-N 3.41Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.05Å; K175-S178 PolarHBondContact O-N 3.49Å; K175-S179 PolarHBondContact O-N 2.81Å; K175-H230 PolarHBondContact NZ-CE1 3Å; K175-H230 VanDerWaalsContact NZ-CE1 3.32Å; K175-E233 HydrophobicContact CB-CB 4.01Å; K175-E233 HydrophobicContact CB-CG 4.02Å; K175-E233 WeakPolarHBondContact CD-OE1 3.27Å
176	A	96	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-49.7	-179.2	0	0	0	0	0	111.6	L129 F164 T166 T172 L173 Y174 S178 S179 I180	L129-A176 HydrophobicContact CD2-CB 3.93Å; F164-A176 HydrophobicContact CB-CB 3.79Å; F164-A176 HydrophobicContact CD1-CB 4.36Å; F164-A176 HydrophobicContact CD2-CB 3.93Å; F164-A176 HydrophobicContact CG-CB 3.77Å; T166-A176 HydrophobicContact CG2-CB 3.55Å; T172-A176 PolarHBondContact O-N 3.18Å; T172-A176 VanDerWaalsContact O-N 3.1Å; L173-A176 PolarHBondContact O-N 3.41Å; Y174-A176 PolarHBondContact O-N 2.95Å; A176-S178 PolarHBondContact O-N 3.2Å; A176-S179 PolarHBondContact O-N 3.48Å; A176-I180 WeakPolarHBondContact O-CD1 3.27Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.33Å; A176-I180 PolarHBondContact O-N 3.15Å
177	W	95.3	Very high	92.1	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-36.9	179.8	-81.6	95.3	0	0	0	113.1	I31 F32 L64 I93 L173 Y174 S179 I180 V181 L216	I31-W177 HydrophobicContact CD1-CG 4.43Å; I31-W177 HydrophobicContact CG1-CB 4.5Å; I31-W177 HydrophobicContact CG1-CD2 4.38Å; I31-W177 HydrophobicContact CG1-CG 3.98Å; F32-W177 HydrophobicContact CE2-CD2 4.42Å; F32-W177 AromaticContact CE2-CE3 3.84Å; F32-W177 HydrophobicContact CE2-CE3 3.84Å; F32-W177 AromaticContact CE2-CH2 3.82Å; F32-W177 HydrophobicContact CE2-CH2 3.82Å; F32-W177 HydrophobicContact CE2-CZ2 4.4Å; F32-W177 AromaticContact CE2-CZ3 3.52Å; F32-W177 HydrophobicContact CE2-CZ3 3.52Å; F32-W177 AromaticContact CZ-CE3 3.79Å; F32-W177 HydrophobicContact CZ-CE3 3.79Å; F32-W177 HydrophobicContact CZ-CH2 4.47Å; F32-W177 AromaticContact CZ-CZ3 3.71Å; F32-W177 HydrophobicContact CZ-CZ3 3.71Å; L64-W177 HydrophobicContact CD2-CH2 3.99Å; L64-W177 HydrophobicContact CD2-CZ3 4.12Å; I93-W177 HydrophobicContact CD1-CE3 4.45Å; I93-W177 HydrophobicContact CD1-CH2 3.52Å; I93-W177 HydrophobicContact CD1-CZ2 4.11Å; I93-W177 HydrophobicContact CD1-CZ3 3.71Å; L173-W177 VanDerWaalsContact CD1-CD1 3.5Å; L173-W177 PolarHBondContact O-N 3.44Å; Y174-W177 PolarHBondContact O-N 2.96Å; W177-S179 VanDerWaalsContact C-N 3.34Å; W177-S179 PolarHBondContact O-N 3.41Å; W177-I180 PolarHBondContact O-N 3.25Å; W177-V181 WeakPolarHBondContact O-CB 3.24Å; W177-V181 VanDerWaalsContact O-CG2 3.29Å; W177-V181 WeakPolarHBondContact O-CG2 3.23Å; W177-V181 PolarHBondContact O-N 3.43Å; W177-L216 HydrophobicContact CB-CD1 4.25Å; W177-L216 HydrophobicContact CB-CD2 3.96Å
178	S	93.3	Very high	91.5	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-44.9	172.6	-89.6	0	0	0	0	110.9	Y174 K175 A176 I180 V181 Y182 V217	Y174-S178 WeakPolarHBondContact O-CB 3.21Å; Y174-S178 PolarHBondContact O-N 2.83Å; Y174-S178 PolarHBondContact O-OG 3.45Å; K175-S178 PolarHBondContact O-N 3.49Å; A176-S178 PolarHBondContact O-N 3.2Å; S178-I180 PolarHBondContact O-N 3.4Å; S178-V181 PolarHBondContact O-N 3.08Å; S178-Y182 WeakPolarHBondContact O-CB 3.38Å; S178-Y182 PolarHBondContact O-N 3.39Å; S178-V217 PolarHBondContact OG-N 2.66Å; S178-V217 VanDerWaalsContact OG-N 3.13Å; S178-V217 PolarHBondContact OG-O 2.98Å
179	S	93.5	Very high	91.1	Very high	38 Å²	38	41.9 Å²	41.9	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-39.9	176.8	-174.7	0	0	0	0	112.7	F164 K175 A176 W177 Q183	F164-S179 WeakPolarHBondContact CZ-OG 3.47Å; K175-S179 PolarHBondContact O-N 2.81Å; A176-S179 PolarHBondContact O-N 3.48Å; W177-S179 VanDerWaalsContact C-N 3.34Å; W177-S179 PolarHBondContact O-N 3.41Å; S179-Q183 WeakPolarHBondContact O-CG 3.42Å; S179-Q183 PolarHBondContact O-N 2.97Å
180	I	93.7	Very high	90.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-48.6	179	-69.1	160.8	0	0	0	110.2	V91 I93 F127 A176 W177 S178 Q183	V91-I180 HydrophobicContact CG1-CG2 4.08Å; I93-I180 HydrophobicContact CD1-CD1 3.94Å; I93-I180 HydrophobicContact CD1-CG2 4.08Å; I93-I180 HydrophobicContact CG1-CD1 4.11Å; I93-I180 HydrophobicContact CG1-CG2 4.45Å; I93-I180 HydrophobicContact CG2-CD1 4.42Å; F127-I180 HydrophobicContact CB-CD1 4.32Å; F127-I180 HydrophobicContact CB-CG1 4.29Å; F127-I180 HydrophobicContact CD1-CG1 3.75Å; F127-I180 HydrophobicContact CD2-CG1 3.9Å; F127-I180 HydrophobicContact CD2-CG2 4.48Å; F127-I180 HydrophobicContact CE1-CG1 3.9Å; F127-I180 HydrophobicContact CE2-CB 4.46Å; F127-I180 HydrophobicContact CE2-CG1 4.04Å; F127-I180 HydrophobicContact CE2-CG2 4.3Å; F127-I180 HydrophobicContact CG-CD1 4.27Å; F127-I180 HydrophobicContact CG-CG1 3.71Å; F127-I180 HydrophobicContact CZ-CB 4.46Å; F127-I180 HydrophobicContact CZ-CG1 4.01Å; A176-I180 WeakPolarHBondContact O-CD1 3.27Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.33Å; A176-I180 PolarHBondContact O-N 3.15Å; W177-I180 PolarHBondContact O-N 3.25Å; S178-I180 PolarHBondContact O-N 3.4Å; I180-Q183 PolarHBondContact O-N 2.87Å
181	V	91.2	Very high	90.5	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-37.6	-177.6	177	0	0	0	0	111.3	F56 L62 W177 S178 Q183 L184 I185 L216	F56-V181 HydrophobicContact CD1-CG1 3.89Å; F56-V181 HydrophobicContact CD2-CG1 4.36Å; F56-V181 HydrophobicContact CE1-CG1 3.39Å; F56-V181 HydrophobicContact CE2-CG1 3.91Å; F56-V181 HydrophobicContact CG-CG1 4.36Å; F56-V181 HydrophobicContact CZ-CG1 3.4Å; F56-V181 VanDerWaalsContact CZ-CG1 3.4Å; L62-V181 HydrophobicContact CD1-CG2 4.31Å; W177-V181 WeakPolarHBondContact O-CB 3.24Å; W177-V181 VanDerWaalsContact O-CG2 3.29Å; W177-V181 WeakPolarHBondContact O-CG2 3.23Å; W177-V181 PolarHBondContact O-N 3.43Å; S178-V181 PolarHBondContact O-N 3.08Å; V181-Q183 PolarHBondContact O-N 3.35Å; V181-L184 WeakPolarHBondContact O-CA 3.25Å; V181-L184 WeakPolarHBondContact O-CB 3.45Å; V181-L184 PolarHBondContact O-N 3.45Å; V181-I185 HydrophobicContact CG1-CD1 4.04Å; V181-I185 HydrophobicContact CG1-CG1 4.23Å; V181-I185 WeakPolarHBondContact O-CG1 3.36Å; V181-I185 PolarHBondContact O-N 3.44Å; V181-I185 VanDerWaalsContact O-N 3.16Å; V181-L216 HydrophobicContact CB-CD1 4.48Å; V181-L216 HydrophobicContact CG2-CD1 3.98Å
182	Y	89.9	Confident	90.4	Very high	82 Å²	82	40.6 Å²	40.6	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-52.9	-41	174.3	-178.6	-89.8	0	0	0	112	S178 L184 I185 V188 E192 I218	S178-Y182 WeakPolarHBondContact O-CB 3.38Å; S178-Y182 PolarHBondContact O-N 3.39Å; Y182-L184 PolarHBondContact O-N 2.83Å; Y182-I185 PolarHBondContact O-N 3.42Å; Y182-V188 HydrophobicContact CD2-CG2 3.92Å; Y182-V188 HydrophobicContact CE1-CG2 4.43Å; Y182-V188 HydrophobicContact CE2-CG2 3.32Å; Y182-E192 PolarHBondContact OH-OE1 3.02Å; Y182-I218 VanDerWaalsContact CD2-O 3.31Å; Y182-I218 WeakPolarHBondContact CD2-O 3.35Å
183	Q	89.6	Confident	90.3	Very high	68 Å²	68	42.8 Å²	42.8	32%	0.318	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.4	178.3	-71.9	-168.7	27.7	0	0	115.1	K125 F127 S179 I180 V181	K125-Q183 HydrophobicContact CD-CB 4.32Å; K125-Q183 PolarHBondContact NZ-O 2.86Å; F127-Q183 HydrophobicContact CZ-CG 4.44Å; S179-Q183 WeakPolarHBondContact O-CG 3.42Å; S179-Q183 PolarHBondContact O-N 2.97Å; I180-Q183 PolarHBondContact O-N 2.87Å; V181-Q183 PolarHBondContact O-N 3.35Å
184	L	88.3	Confident	90.1	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-15.9	177.7	-70.2	175.1	0	0	0	112.9	K12 V14 L60 L62 E90 V91 V181 Y182	K12-L184 HydrophobicContact CB-CD2 4.29Å; K12-L184 HydrophobicContact CG-CD2 4.36Å; V14-L184 HydrophobicContact CG2-CD1 3.79Å; L60-L184 HydrophobicContact CD2-CB 4.32Å; L62-L184 HydrophobicContact CD2-CB 4.5Å; L62-L184 HydrophobicContact CD2-CD1 3.65Å; E90-L184 HydrophobicContact CB-CD2 4.27Å; V91-L184 HydrophobicContact CG2-CD1 4.07Å; V91-L184 HydrophobicContact CG2-CD2 3.49Å; V91-L184 VanDerWaalsContact CG2-CD2 3.49Å; V91-L184 HydrophobicContact CG2-CG 3.91Å; V181-L184 WeakPolarHBondContact O-CA 3.25Å; V181-L184 WeakPolarHBondContact O-CB 3.45Å; V181-L184 PolarHBondContact O-N 3.45Å; Y182-L184 PolarHBondContact O-N 2.83Å
185	I	86.1	Confident	90.1	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.082	22%	0.219	C	C	.	.			trans	-74.2	123.3	-176.5	-69.3	158.4	0	0	0	109.8	F56 L57 L60 V181 Y182 V188 I218	F56-I185 HydrophobicContact CE1-CD1 4.08Å; F56-I185 HydrophobicContact CE1-CG1 4.33Å; L57-I185 HydrophobicContact CD1-CD1 4.23Å; L57-I185 HydrophobicContact CD1-CG1 4.14Å; L57-I185 HydrophobicContact CD1-CG2 4.13Å; L60-I185 HydrophobicContact CD2-CG1 4.46Å; V181-I185 HydrophobicContact CG1-CD1 4.04Å; V181-I185 HydrophobicContact CG1-CG1 4.23Å; V181-I185 WeakPolarHBondContact O-CG1 3.36Å; V181-I185 PolarHBondContact O-N 3.44Å; V181-I185 VanDerWaalsContact O-N 3.16Å; Y182-I185 PolarHBondContact O-N 3.42Å; I185-V188 HydrophobicContact CG2-CB 4.32Å; I185-I218 HydrophobicContact CD1-CB 4.44Å; I185-I218 HydrophobicContact CD1-CG1 4.46Å; I185-I218 HydrophobicContact CD1-CG2 3.73Å
186	P	81.7	Confident	90.1	Very high	30 Å²	30	45.7 Å²	45.7	20%	0.195	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	151.1	174.2	33.5	-38.8	0	0	0	111.1	M10 V188	M10-P186 HydrophobicContact CE-CB 3.32Å; M10-P186 HydrophobicContact CE-CG 3.43Å; M10-P186 VanDerWaalsContact CE-CG 3.43Å; P186-V188 PolarHBondContact O-N 3.13Å; P186-V188 VanDerWaalsContact O-N 3.1Å
187	N	80.9	Confident	90	Very high	98 Å²	98	49.3 Å²	49.3	52%	0.524	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	28.1	173	-55.1	-40.1	0	0	0	114.8	Q189 Q190 L191	N187-Q189 PolarHBondContact O-N 3.09Å; N187-Q189 VanDerWaalsContact O-N 3.16Å; N187-Q190 HydrophobicContact CB-CB 4.44Å; N187-Q190 WeakPolarHBondContact O-CB 3.45Å; N187-Q190 PolarHBondContact O-N 3.36Å; N187-L191 PolarHBondContact O-N 3.31Å
188	V	84.6	Confident	89.9	Confident	24 Å²	24	49.9 Å²	49.9	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-34.8	-177.8	69.8	0	0	0	0	113	Y182 I185 P186 Q190 L191 E192	Y182-V188 HydrophobicContact CD2-CG2 3.92Å; Y182-V188 HydrophobicContact CE1-CG2 4.43Å; Y182-V188 HydrophobicContact CE2-CG2 3.32Å; I185-V188 HydrophobicContact CG2-CB 4.32Å; P186-V188 PolarHBondContact O-N 3.13Å; P186-V188 VanDerWaalsContact O-N 3.1Å; V188-Q190 VanDerWaalsContact C-N 3.34Å; V188-Q190 PolarHBondContact O-N 3.19Å; V188-L191 WeakPolarHBondContact O-CB 3.35Å; V188-L191 PolarHBondContact O-N 2.9Å; V188-E192 WeakPolarHBondContact O-CG 3.43Å; V188-E192 PolarHBondContact O-N 2.96Å
189	Q	86.9	Confident	90	Very high	153 Å²	153	49.2 Å²	49.2	72%	0.715	24%	0.242	S	C	*	.	H	α-helix	trans	-62.8	-38.1	176.4	-65.9	178.2	-13.6	0	0	113	N187 T193	N187-Q189 PolarHBondContact O-N 3.09Å; N187-Q189 VanDerWaalsContact O-N 3.16Å; Q189-T193 WeakPolarHBondContact O-CB 3.23Å; Q189-T193 PolarHBondContact O-N 2.92Å; Q189-T193 PolarHBondContact O-OG1 2.89Å
190	Q	88	Confident	89.9	Confident	105 Å²	105	52.5 Å²	52.5	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-69	-40.3	176.9	-172.2	-179.9	7.9	0	0	110.2	N187 V188 T193 N194	N187-Q190 HydrophobicContact CB-CB 4.44Å; N187-Q190 WeakPolarHBondContact O-CB 3.45Å; N187-Q190 PolarHBondContact O-N 3.36Å; V188-Q190 VanDerWaalsContact C-N 3.34Å; V188-Q190 PolarHBondContact O-N 3.19Å; Q190-T193 PolarHBondContact O-N 3.39Å; Q190-N194 WeakPolarHBondContact O-CB 3.29Å; Q190-N194 VanDerWaalsContact O-CG 3.23Å; Q190-N194 PolarHBondContact O-N 3.35Å; Q190-N194 PolarHBondContact O-ND2 2.7Å; Q190-N194 VanDerWaalsContact O-ND2 3.08Å
191	L	88.4	Confident	89.8	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-45.3	175.6	-175	62.4	0	0	0	111.5	N187 V188 T193 N194 L195 L209 I218 F301	N187-L191 PolarHBondContact O-N 3.31Å; V188-L191 WeakPolarHBondContact O-CB 3.35Å; V188-L191 PolarHBondContact O-N 2.9Å; L191-T193 PolarHBondContact O-N 3.45Å; L191-N194 PolarHBondContact O-N 3.11Å; L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 PolarHBondContact O-N 2.83Å; L191-L209 HydrophobicContact CD1-CD2 3.77Å; L191-L209 HydrophobicContact CD2-CD2 3.92Å; L191-L209 HydrophobicContact CG-CD2 4.05Å; L191-I218 HydrophobicContact CD2-CG2 3.45Å; L191-I218 VanDerWaalsContact CD2-CG2 3.45Å; L191-F301 HydrophobicContact CD1-CD1 4.08Å; L191-F301 HydrophobicContact CD1-CE1 4.01Å
192	E	90.9	Very high	89.8	Confident	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175.8	-76.7	179.3	175.8	0	0	112.7	Y182 V188 N194 L195 R196 S219	Y182-E192 PolarHBondContact OH-OE1 3.02Å; V188-E192 WeakPolarHBondContact O-CG 3.43Å; V188-E192 PolarHBondContact O-N 2.96Å; E192-N194 PolarHBondContact O-N 2.86Å; E192-L195 PolarHBondContact O-N 3.33Å; E192-R196 VanDerWaalsContact O-CB 3.3Å; E192-R196 WeakPolarHBondContact O-CB 3.1Å; E192-R196 PolarHBondContact O-N 3.5Å; E192-S219 VanDerWaalsContact CG-OG 3.3Å; E192-S219 WeakPolarHBondContact CG-OG 3.46Å
193	T	92.3	Very high	89.8	Confident	73 Å²	73	62 Å²	62	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-44.2	177.6	-57.8	0	0	0	0	110.9	Q189 Q190 L191 R196 N197	Q189-T193 WeakPolarHBondContact O-CB 3.23Å; Q189-T193 PolarHBondContact O-N 2.92Å; Q189-T193 PolarHBondContact O-OG1 2.89Å; Q190-T193 PolarHBondContact O-N 3.39Å; L191-T193 PolarHBondContact O-N 3.45Å; T193-R196 PolarHBondContact O-N 2.84Å; T193-N197 VanDerWaalsContact O-CG 3.28Å; T193-N197 PolarHBondContact O-N 3.4Å; T193-N197 PolarHBondContact O-ND2 3.43Å
194	N	92.3	Very high	90	Very high	23 Å²	23	59 Å²	59	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-37.7	178.4	-67.4	-30.2	0	0	0	112.1	Q190 L191 E192 N197 F198 F301 L304	Q190-N194 WeakPolarHBondContact O-CB 3.29Å; Q190-N194 VanDerWaalsContact O-CG 3.23Å; Q190-N194 PolarHBondContact O-N 3.35Å; Q190-N194 PolarHBondContact O-ND2 2.7Å; Q190-N194 VanDerWaalsContact O-ND2 3.08Å; L191-N194 PolarHBondContact O-N 3.11Å; E192-N194 PolarHBondContact O-N 2.86Å; N194-N197 PolarHBondContact O-N 3.24Å; N194-F198 WeakPolarHBondContact O-CB 3.46Å; N194-F198 PolarHBondContact O-N 2.77Å; N194-F301 HydrophobicContact CB-CE1 4.12Å; N194-F301 HydrophobicContact CB-CZ 4.01Å; N194-L304 HydrophobicContact CB-CD1 4.11Å; N194-L304 WeakPolarHBondContact ND2-CD1 3.48Å
195	L	94	Very high	90.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-40.1	175.5	-164.4	69.4	0	0	0	111.3	L191 E192 F198 A199 V207 L209 S219 F301	L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 PolarHBondContact O-N 2.83Å; E192-L195 PolarHBondContact O-N 3.33Å; L195-F198 HydrophobicContact CD1-CD1 4.47Å; L195-F198 PolarHBondContact O-N 2.81Å; L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.45Å; L195-V207 HydrophobicContact CD1-CG1 3.72Å; L195-V207 HydrophobicContact CG-CG1 4.14Å; L195-L209 HydrophobicContact CD1-CB 4.31Å; L195-L209 HydrophobicContact CD2-CB 4.12Å; L195-S219 WeakPolarHBondContact CD2-OG 3.49Å; L195-F301 HydrophobicContact CD1-CE1 4.43Å; L195-F301 HydrophobicContact CD1-CZ 4.34Å
196	R	94.8	Very high	90.7	Very high	134 Å²	134	59.3 Å²	59.3	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-47.4	173.2	-180	177.3	-60.8	175.3	2.4	111.8	E192 T193 F198 A199 Q200 Y221	E192-R196 VanDerWaalsContact O-CB 3.3Å; E192-R196 WeakPolarHBondContact O-CB 3.1Å; E192-R196 PolarHBondContact O-N 3.5Å; T193-R196 PolarHBondContact O-N 2.84Å; R196-F198 VanDerWaalsContact C-N 3.31Å; R196-F198 PolarHBondContact O-N 2.89Å; R196-A199 PolarHBondContact O-N 2.9Å; R196-Q200 WeakPolarHBondContact O-CG 3.03Å; R196-Q200 PolarHBondContact O-N 3.43Å; R196-Y221 HydrophobicContact CB-CD2 4Å; R196-Y221 HydrophobicContact CB-CE2 4.47Å; R196-Y221 HydrophobicContact CG-CD2 3.78Å; R196-Y221 HydrophobicContact CG-CE2 3.75Å
197	N	94.1	Very high	91.4	Very high	75 Å²	75	57.9 Å²	57.9	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-43.5	176.6	-71	-19.2	0	0	0	111.3	T193 N194 Q200 I201	T193-N197 VanDerWaalsContact O-CG 3.28Å; T193-N197 PolarHBondContact O-N 3.4Å; T193-N197 PolarHBondContact O-ND2 3.43Å; N194-N197 PolarHBondContact O-N 3.24Å; N197-Q200 PolarHBondContact O-N 3.23Å; N197-I201 WeakPolarHBondContact O-CD1 3.39Å; N197-I201 VanDerWaalsContact O-CG1 3.25Å; N197-I201 WeakPolarHBondContact O-CG1 3.46Å; N197-I201 PolarHBondContact O-N 3.04Å; N197-I201 VanDerWaalsContact O-N 3.08Å
198	F	94.1	Very high	92.1	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-47	175.6	170.2	-112.1	0	0	0	112	N194 L195 R196 Q200 I201 I202 V207 V276 V278 I294 A297 F301	N194-F198 WeakPolarHBondContact O-CB 3.46Å; N194-F198 PolarHBondContact O-N 2.77Å; L195-F198 HydrophobicContact CD1-CD1 4.47Å; L195-F198 PolarHBondContact O-N 2.81Å; R196-F198 VanDerWaalsContact C-N 3.31Å; R196-F198 PolarHBondContact O-N 2.89Å; F198-Q200 VanDerWaalsContact C-N 3.31Å; F198-Q200 PolarHBondContact O-N 2.88Å; F198-I201 PolarHBondContact O-N 3.24Å; F198-I202 HydrophobicContact CE2-CD1 4.14Å; F198-I202 HydrophobicContact CZ-CD1 3.85Å; F198-I202 HydrophobicContact CZ-CG2 4.41Å; F198-I202 WeakPolarHBondContact O-CG2 3.48Å; F198-I202 PolarHBondContact O-N 3.36Å; F198-I202 VanDerWaalsContact O-N 3.07Å; F198-V207 HydrophobicContact CD1-CG1 4.16Å; F198-V207 HydrophobicContact CE1-CG1 4.11Å; F198-V276 HydrophobicContact CE1-CG2 4.42Å; F198-V278 HydrophobicContact CE1-CG2 4.1Å; F198-V278 HydrophobicContact CZ-CG2 4.38Å; F198-I294 HydrophobicContact CZ-CG1 4.05Å; F198-A297 HydrophobicContact CD2-CB 3.45Å; F198-A297 VanDerWaalsContact CD2-CB 3.45Å; F198-A297 HydrophobicContact CE2-CB 3.42Å; F198-A297 VanDerWaalsContact CE2-CB 3.42Å; F198-A297 HydrophobicContact CG-CB 4.36Å; F198-A297 HydrophobicContact CZ-CB 4.31Å; F198-F301 HydrophobicContact CB-CE2 4.2Å; F198-F301 HydrophobicContact CB-CZ 4.28Å
199	A	94.3	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-37	-179.9	0	0	0	0	0	112.7	L195 R196 E203 A204 V207 Y221	L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.45Å; R196-A199 PolarHBondContact O-N 2.9Å; A199-E203 PolarHBondContact O-N 2.6Å; A199-E203 VanDerWaalsContact O-N 3.07Å; A199-A204 PolarHBondContact O-N 2.71Å; A199-V207 HydrophobicContact CB-CB 4.23Å; A199-V207 HydrophobicContact CB-CG2 3.55Å; A199-Y221 HydrophobicContact CB-CD1 3.13Å; A199-Y221 HydrophobicContact CB-CD2 4.41Å; A199-Y221 HydrophobicContact CB-CE1 3.55Å; A199-Y221 HydrophobicContact CB-CG 3.6Å
200	Q	92.3	Very high	93	Very high	108 Å²	108	45 Å²	45	51%	0.505	22%	0.218	S	C	.	.	H	α-helix	trans	-68.4	-40.8	175.2	-72.7	176	-20.4	0	0	112.5	R196 N197 F198 I202 E203	R196-Q200 WeakPolarHBondContact O-CG 3.03Å; R196-Q200 PolarHBondContact O-N 3.43Å; N197-Q200 PolarHBondContact O-N 3.23Å; F198-Q200 VanDerWaalsContact C-N 3.31Å; F198-Q200 PolarHBondContact O-N 2.88Å; Q200-I202 VanDerWaalsContact C-N 3.34Å; Q200-E203 PolarHBondContact O-N 3.37Å
201	I	91.3	Very high	93.3	Very high	134 Å²	134	40.4 Å²	40.4	69%	0.687	20%	0.197	S	C	*	.	H	α-helix	trans	-66.6	-37.3	179.2	-69.6	163.8	0	0	0	111.7	N197 F198 E203	N197-I201 WeakPolarHBondContact O-CD1 3.39Å; N197-I201 VanDerWaalsContact O-CG1 3.25Å; N197-I201 WeakPolarHBondContact O-CG1 3.46Å; N197-I201 PolarHBondContact O-N 3.04Å; N197-I201 VanDerWaalsContact O-N 3.08Å; F198-I201 PolarHBondContact O-N 3.24Å; I201-E203 VanDerWaalsContact C-N 3.31Å
202	I	91.2	Very high	93.5	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.041	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.6	179.6	-157.3	168.6	0	0	0	112.6	F198 Q200 A204 V278 M280 T290 N293 I294	F198-I202 HydrophobicContact CE2-CD1 4.14Å; F198-I202 HydrophobicContact CZ-CD1 3.85Å; F198-I202 HydrophobicContact CZ-CG2 4.41Å; F198-I202 WeakPolarHBondContact O-CG2 3.48Å; F198-I202 PolarHBondContact O-N 3.36Å; F198-I202 VanDerWaalsContact O-N 3.07Å; Q200-I202 VanDerWaalsContact C-N 3.34Å; I202-A204 VanDerWaalsContact C-N 3.25Å; I202-A204 HydrophobicContact CG2-CB 3.66Å; I202-A204 PolarHBondContact O-N 3.35Å; I202-V278 HydrophobicContact CD1-CG1 4.38Å; I202-V278 HydrophobicContact CG2-CG1 4.48Å; I202-M280 WeakPolarHBondContact O-CE 3.49Å; I202-T290 HydrophobicContact CD1-CG2 3.75Å; I202-T290 HydrophobicContact CG1-CG2 4.42Å; I202-N293 HydrophobicContact CD1-CB 3.63Å; I202-N293 HydrophobicContact CG1-CB 3.97Å; I202-I294 HydrophobicContact CD1-CG1 4.25Å
203	E	90.7	Very high	93.5	Very high	142 Å²	142	43.9 Å²	43.9	66%	0.664	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.9	-177.8	-59.5	-178	166.3	0	0	113.3	A199 Q200 I201 M280	A199-E203 PolarHBondContact O-N 2.6Å; A199-E203 VanDerWaalsContact O-N 3.07Å; Q200-E203 PolarHBondContact O-N 3.37Å; I201-E203 VanDerWaalsContact C-N 3.31Å; E203-M280 WeakPolarHBondContact O-CE 3.42Å
204	A	92.8	Very high	93.5	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	20%	0.197	C	C	.	.			trans	-80.3	142.4	178.7	0	0	0	0	0	112.6	A199 I202 E206 V207 V278 M280	A199-A204 PolarHBondContact O-N 2.71Å; I202-A204 VanDerWaalsContact C-N 3.25Å; I202-A204 HydrophobicContact CG2-CB 3.66Å; I202-A204 PolarHBondContact O-N 3.35Å; A204-E206 VanDerWaalsContact C-N 3.34Å; A204-V207 HydrophobicContact CB-CG2 3.59Å; A204-V278 HydrophobicContact CB-CG1 3.74Å; A204-M280 WeakPolarHBondContact CA-SD 3.24Å; A204-M280 HydrophobicContact CB-SD 3.66Å
205	D	93	Very high	93.6	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	19%	0.191	C	C	.	.	S	Bend	trans	-69.3	-38.5	172	-68	-49.2	0	0	0	111.4	C223 I279 S281	D205-C223 WeakPolarHBondContact O-CB 3.36Å; D205-C223 PolarHBondContact O-N 3.36Å; D205-I279 PolarHBondContact N-O 2.72Å; D205-S281 PolarHBondContact OD1-OG 2.96Å; D205-S281 WeakPolarHBondContact OD2-CA 3.05Å; D205-S281 WeakPolarHBondContact OD2-CB 3.21Å; D205-S281 PolarHBondContact OD2-N 3.45Å; D205-S281 PolarHBondContact OD2-OG 3.23Å
206	E	95.4	Very high	93.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	138.7	-178.9	177.9	162.7	-155.7	0	0	110.8	A204 L208 Y221 R231 F232 I279	A204-E206 VanDerWaalsContact C-N 3.34Å; E206-L208 HydrophobicContact CG-CD2 3.96Å; E206-L208 HydrophobicContact CG-CG 4.33Å; E206-L208 WeakPolarHBondContact OE1-CD2 3.37Å; E206-Y221 CarbonylContact C-O 3.59Å; E206-Y221 VanDerWaalsContact CA-O 3.24Å; E206-Y221 WeakPolarHBondContact CA-O 3.3Å; E206-Y221 WeakPolarHBondContact CG-O 3.32Å; E206-R231 IonicContact OE1-CZ 2.74Å; E206-R231 IonicContact OE1-NE 3.97Å; E206-R231 PolarHBondContact OE1-NE 3.48Å; E206-R231 IonicContact OE1-NH2 2.79Å; E206-R231 PolarHBondContact OE1-NH2 3.46Å; E206-R231 IonicContact OE2-CZ 3.03Å; E206-R231 IonicContact OE2-NE 3.95Å; E206-R231 PolarHBondContact OE2-NE 3.48Å; E206-R231 IonicContact OE2-NH2 2.6Å; E206-F232 WeakPolarHBondContact OE1-CE1 3.39Å; E206-I279 HydrophobicContact CB-CB 4.2Å; E206-I279 HydrophobicContact CB-CD1 4.2Å; E206-I279 HydrophobicContact CB-CG1 4.48Å; E206-I279 HydrophobicContact CG-CD1 4.28Å; E206-I279 PolarHBondContact N-O 2.96Å; E206-I279 PolarHBondContact O-N 2.9Å
207	V	96.4	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.7	175	-177.4	0	0	0	0	108.9	L195 F198 A199 A204 H220 Y221 V276 M277 V278	L195-V207 HydrophobicContact CD1-CG1 3.72Å; L195-V207 HydrophobicContact CG-CG1 4.14Å; F198-V207 HydrophobicContact CD1-CG1 4.16Å; F198-V207 HydrophobicContact CE1-CG1 4.11Å; A199-V207 HydrophobicContact CB-CB 4.23Å; A199-V207 HydrophobicContact CB-CG2 3.55Å; A204-V207 HydrophobicContact CB-CG2 3.59Å; V207-H220 CarbonylContact O-C 3.23Å; V207-H220 VanDerWaalsContact O-CA 3.23Å; V207-H220 WeakPolarHBondContact O-CA 3.26Å; V207-Y221 PolarHBondContact N-O 3.31Å; V207-Y221 PolarHBondContact O-N 2.94Å; V207-V276 HydrophobicContact CG1-CG2 3.72Å; V207-M277 CarbonylContact C-O 3.56Å; V207-M277 VanDerWaalsContact CA-O 3.32Å; V207-M277 WeakPolarHBondContact CA-O 3.41Å; V207-V278 HydrophobicContact CG1-CG2 4.41Å; V207-V278 HydrophobicContact CG2-CG1 4.42Å; V207-V278 HydrophobicContact CG2-CG2 4.48Å
208	L	96.3	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	176.9	-50	-179.8	0	0	0	109.9	E206 F210 H220 F232 I235 V276 M277	E206-L208 HydrophobicContact CG-CD2 3.96Å; E206-L208 HydrophobicContact CG-CG 4.33Å; E206-L208 WeakPolarHBondContact OE1-CD2 3.37Å; L208-F210 HydrophobicContact CB-CD2 4.37Å; L208-F210 HydrophobicContact CB-CE1 4.42Å; L208-F210 HydrophobicContact CB-CE2 3.48Å; L208-F210 VanDerWaalsContact CB-CE2 3.48Å; L208-F210 HydrophobicContact CB-CZ 3.51Å; L208-F210 HydrophobicContact CD1-CE2 4.32Å; L208-F210 HydrophobicContact CD1-CZ 3.65Å; L208-F210 HydrophobicContact CG-CZ 4.22Å; L208-H220 HydrophobicContact CD2-CB 3.53Å; L208-F232 HydrophobicContact CD1-CD1 4.24Å; L208-F232 HydrophobicContact CD2-CD1 3.55Å; L208-F232 HydrophobicContact CD2-CE1 3.45Å; L208-F232 VanDerWaalsContact CD2-CE1 3.45Å; L208-I235 HydrophobicContact CD1-CD1 3.71Å; L208-V276 CarbonylContact O-C 3.59Å; L208-V276 WeakPolarHBondContact O-CA 3.44Å; L208-M277 HydrophobicContact CB-CB 4.2Å; L208-M277 HydrophobicContact CD1-SD 4.12Å; L208-M277 PolarHBondContact N-O 3.47Å; L208-M277 PolarHBondContact O-N 3.43Å
209	L	95.4	Very high	93.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.2	175	-170.2	73	0	0	0	109.6	L191 L195 I218 S219 F270 T274 V276	L191-L209 HydrophobicContact CD1-CD2 3.77Å; L191-L209 HydrophobicContact CD2-CD2 3.92Å; L191-L209 HydrophobicContact CG-CD2 4.05Å; L195-L209 HydrophobicContact CD1-CB 4.31Å; L195-L209 HydrophobicContact CD2-CB 4.12Å; L209-I218 PolarHBondContact O-N 3.07Å; L209-S219 PolarHBondContact N-O 2.87Å; L209-S219 PolarHBondContact O-N 2.84Å; L209-F270 HydrophobicContact CD1-CD1 3.59Å; L209-F270 HydrophobicContact CD1-CE1 4.19Å; L209-F270 HydrophobicContact CD1-CG 4.47Å; L209-T274 HydrophobicContact CD1-CG2 4.34Å; L209-T274 HydrophobicContact CG-CG2 4.38Å; L209-V276 HydrophobicContact CD1-CB 4.48Å
210	F	95.3	Very high	93.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.3	-176.5	-53	-90.8	0	0	0	111.5	L208 F215 L216 V217 I218 I235 T274 Y275 M277	L208-F210 HydrophobicContact CB-CD2 4.37Å; L208-F210 HydrophobicContact CB-CE1 4.42Å; L208-F210 HydrophobicContact CB-CE2 3.48Å; L208-F210 VanDerWaalsContact CB-CE2 3.48Å; L208-F210 HydrophobicContact CB-CZ 3.51Å; L208-F210 HydrophobicContact CD1-CE2 4.32Å; L208-F210 HydrophobicContact CD1-CZ 3.65Å; L208-F210 HydrophobicContact CG-CZ 4.22Å; F210-F215 HydrophobicContact CB-CD1 4.18Å; F210-F215 HydrophobicContact CB-CE1 4.28Å; F210-F215 HydrophobicContact CB-CG 4.46Å; F210-F215 AromaticContact CD1-CD1 3.91Å; F210-F215 HydrophobicContact CD1-CD1 3.91Å; F210-F215 HydrophobicContact CD1-CE1 4.16Å; F210-F215 WeakPolarHBondContact CD1-O 3.41Å; F210-F215 HydrophobicContact CD2-CE1 4.02Å; F210-F215 HydrophobicContact CE1-CD1 4.4Å; F210-F215 HydrophobicContact CE1-CE1 4.49Å; F210-F215 HydrophobicContact CE2-CE1 4.36Å; F210-F215 AromaticContact CG-CD1 3.97Å; F210-F215 HydrophobicContact CG-CD1 3.97Å; F210-F215 AromaticContact CG-CE1 3.9Å; F210-F215 HydrophobicContact CG-CE1 3.9Å; F210-L216 CarbonylContact C-O 3.5Å; F210-L216 VanDerWaalsContact CA-O 3.29Å; F210-L216 WeakPolarHBondContact CA-O 3.43Å; F210-V217 HydrophobicContact CD1-CB 4.42Å; F210-V217 HydrophobicContact CD1-CG2 3.76Å; F210-V217 HydrophobicContact CE1-CB 4.49Å; F210-V217 HydrophobicContact CE1-CG2 3.47Å; F210-V217 VanDerWaalsContact CE1-CG2 3.47Å; F210-I218 VanDerWaalsContact C-CD1 3.47Å; F210-I235 HydrophobicContact CE1-CG2 4.24Å; F210-I235 HydrophobicContact CZ-CG2 3.75Å; F210-T274 CarbonylContact O-C 3.59Å; F210-T274 WeakPolarHBondContact O-CA 3.18Å; F210-T274 VanDerWaalsContact O-CB 3.28Å; F210-T274 WeakPolarHBondContact O-CB 3.23Å; F210-Y275 PolarHBondContact N-O 3.35Å; F210-Y275 PolarHBondContact O-N 3.49Å; F210-M277 HydrophobicContact CE2-CB 3.71Å; F210-M277 HydrophobicContact CZ-CB 4.48Å
211	E	93.4	Very high	93.6	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.8	168.7	-167.2	-81.2	134.6	0	0	110.1	F56 L57 A213 T214 F215 L216 I218	F56-E211 HydrophobicContact CD1-CG 4.22Å; F56-E211 HydrophobicContact CD2-CB 4.5Å; F56-E211 HydrophobicContact CD2-CG 3.82Å; F56-E211 HydrophobicContact CE1-CB 3.96Å; F56-E211 HydrophobicContact CE1-CG 3.88Å; F56-E211 HydrophobicContact CE2-CB 3.67Å; F56-E211 HydrophobicContact CE2-CG 3.47Å; F56-E211 VanDerWaalsContact CE2-CG 3.47Å; F56-E211 HydrophobicContact CG-CG 4.18Å; F56-E211 HydrophobicContact CZ-CB 3.34Å; F56-E211 HydrophobicContact CZ-CG 3.5Å; F56-E211 VanDerWaalsContact CZ-CG 3.5Å; L57-E211 HydrophobicContact CD2-CG 4.47Å; E211-A213 VanDerWaalsContact CD-N 3.27Å; E211-A213 PolarHBondContact O-N 2.95Å; E211-A213 WeakPolarHBondContact OE1-CB 3.42Å; E211-A213 PolarHBondContact OE1-N 3.46Å; E211-A213 PolarHBondContact OE2-N 3.02Å; E211-A213 VanDerWaalsContact OE2-N 3.1Å; E211-T214 VanDerWaalsContact OE2-CB 3.31Å; E211-T214 WeakPolarHBondContact OE2-CB 3.38Å; E211-T214 WeakPolarHBondContact OE2-CG2 3.42Å; E211-T214 PolarHBondContact OE2-N 3.31Å; E211-T214 PolarHBondContact OE2-OG1 3.07Å; E211-F215 WeakPolarHBondContact O-CA 3.32Å; E211-F215 PolarHBondContact O-N 2.84Å; E211-L216 PolarHBondContact N-O 3.35Å; E211-I218 HydrophobicContact CB-CD1 3.76Å; E211-I218 HydrophobicContact CB-CG1 4.11Å; E211-I218 VanDerWaalsContact N-CD1 3.25Å
212	R	92.8	Very high	93.7	Very high	104 Å²	104	27.1 Å²	27.1	39%	0.392	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.9	-166.8	-176.4	178.1	-178	-177.2	0.4	114.4	K243 S272 N273 Y275	R212-K243 PolarHBondContact O-NZ 3.3Å; R212-S272 WeakPolarHBondContact CD-O 3.48Å; R212-S272 PolarHBondContact NH1-O 3.25Å; R212-N273 VanDerWaalsContact CB-C 3.4Å; R212-N273 VanDerWaalsContact CB-O 3.27Å; R212-N273 WeakPolarHBondContact CB-O 3.3Å; R212-N273 PolarHBondContact N-O 3.42Å; R212-Y275 HydrophobicContact CB-CD2 4.26Å; R212-Y275 HydrophobicContact CB-CE2 4.48Å; R212-Y275 HydrophobicContact CG-CD2 3.96Å; R212-Y275 HydrophobicContact CG-CE2 3.69Å
213	A	91.6	Very high	93.5	Very high	53 Å²	53	30.3 Å²	30.3	44%	0.438	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-52.9	-175.4	0	0	0	0	0	111.8	E211 K240	E211-A213 VanDerWaalsContact CD-N 3.27Å; E211-A213 PolarHBondContact O-N 2.95Å; E211-A213 WeakPolarHBondContact OE1-CB 3.42Å; E211-A213 PolarHBondContact OE1-N 3.46Å; E211-A213 PolarHBondContact OE2-N 3.02Å; E211-A213 VanDerWaalsContact OE2-N 3.1Å; A213-K240 PolarHBondContact O-NZ 2.55Å
214	T	92.3	Very high	93.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-25.8	-173.2	62.3	0	0	0	0	113.1	I31 F32 F56 E211 L216	I31-T214 HydrophobicContact CG2-CG2 4.23Å; F32-T214 HydrophobicContact CD1-CG2 3.64Å; F32-T214 HydrophobicContact CE1-CG2 3.82Å; F56-T214 HydrophobicContact CE2-CG2 4.29Å; E211-T214 VanDerWaalsContact OE2-CB 3.31Å; E211-T214 WeakPolarHBondContact OE2-CB 3.38Å; E211-T214 WeakPolarHBondContact OE2-CG2 3.42Å; E211-T214 PolarHBondContact OE2-N 3.31Å; E211-T214 PolarHBondContact OE2-OG1 3.07Å; T214-L216 PolarHBondContact O-N 2.85Å; T214-L216 PolarHBondContact OG1-N 3.39Å
215	F	94.9	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.			trans	61.9	20.5	-171.2	-122.1	-94	0	0	0	113.9	F210 E211 S236 I239 K240 I267 Y275	F210-F215 HydrophobicContact CB-CD1 4.18Å; F210-F215 HydrophobicContact CB-CE1 4.28Å; F210-F215 HydrophobicContact CB-CG 4.46Å; F210-F215 AromaticContact CD1-CD1 3.91Å; F210-F215 HydrophobicContact CD1-CD1 3.91Å; F210-F215 HydrophobicContact CD1-CE1 4.16Å; F210-F215 WeakPolarHBondContact CD1-O 3.41Å; F210-F215 HydrophobicContact CD2-CE1 4.02Å; F210-F215 HydrophobicContact CE1-CD1 4.4Å; F210-F215 HydrophobicContact CE1-CE1 4.49Å; F210-F215 HydrophobicContact CE2-CE1 4.36Å; F210-F215 AromaticContact CG-CD1 3.97Å; F210-F215 HydrophobicContact CG-CD1 3.97Å; F210-F215 AromaticContact CG-CE1 3.9Å; F210-F215 HydrophobicContact CG-CE1 3.9Å; E211-F215 WeakPolarHBondContact O-CA 3.32Å; E211-F215 PolarHBondContact O-N 2.84Å; F215-S236 VanDerWaalsContact O-CB 3.26Å; F215-S236 WeakPolarHBondContact O-CB 3.28Å; F215-S236 PolarHBondContact O-OG 2.89Å; F215-I239 HydrophobicContact CD1-CB 3.91Å; F215-I239 HydrophobicContact CD1-CG2 3.94Å; F215-I239 HydrophobicContact CD2-CG2 4.39Å; F215-I239 HydrophobicContact CE1-CB 3.56Å; F215-I239 HydrophobicContact CE1-CG1 4.12Å; F215-I239 HydrophobicContact CE1-CG2 3.31Å; F215-I239 HydrophobicContact CE2-CG2 3.81Å; F215-I239 HydrophobicContact CG-CG2 4.44Å; F215-I239 HydrophobicContact CZ-CB 4.05Å; F215-I239 HydrophobicContact CZ-CG2 3.23Å; F215-K240 HydrophobicContact CB-CB 4.36Å; F215-I267 HydrophobicContact CZ-CG2 4.37Å; F215-Y275 HydrophobicContact CD2-CD2 4.22Å; F215-Y275 HydrophobicContact CE2-CD1 4.23Å; F215-Y275 AromaticContact CE2-CD2 3.44Å; F215-Y275 HydrophobicContact CE2-CD2 3.44Å; F215-Y275 VanDerWaalsContact CE2-CD2 3.44Å; F215-Y275 AromaticContact CE2-CE2 3.88Å; F215-Y275 HydrophobicContact CE2-CE2 3.88Å; F215-Y275 AromaticContact CE2-CG 3.64Å; F215-Y275 HydrophobicContact CE2-CG 3.64Å; F215-Y275 HydrophobicContact CZ-CD1 4.25Å; F215-Y275 HydrophobicContact CZ-CD2 4.15Å; F215-Y275 AromaticContact CZ-CG 3.86Å; F215-Y275 HydrophobicContact CZ-CG 3.86Å
216	L	94.6	Very high	92.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.202	C	C	.	.			trans	-68.4	138.7	170.2	-68.2	173.9	0	0	0	110.1	I31 F56 Y174 W177 V181 F210 E211 T214 I218	I31-L216 HydrophobicContact CG2-CD1 4.04Å; I31-L216 HydrophobicContact CG2-CG 4.5Å; F56-L216 HydrophobicContact CE2-CD1 4.35Å; Y174-L216 HydrophobicContact CD1-CD2 3.93Å; W177-L216 HydrophobicContact CB-CD1 4.25Å; W177-L216 HydrophobicContact CB-CD2 3.96Å; V181-L216 HydrophobicContact CB-CD1 4.48Å; V181-L216 HydrophobicContact CG2-CD1 3.98Å; F210-L216 CarbonylContact C-O 3.5Å; F210-L216 VanDerWaalsContact CA-O 3.29Å; F210-L216 WeakPolarHBondContact CA-O 3.43Å; E211-L216 PolarHBondContact N-O 3.35Å; T214-L216 PolarHBondContact O-N 2.85Å; T214-L216 PolarHBondContact OG1-N 3.39Å; L216-I218 PolarHBondContact O-N 3.25Å
217	V	94.4	Very high	92.5	Very high	17 Å²	17	53.2 Å²	53.2	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.7	174.2	-176.8	0	0	0	0	108.7	S178 F210 F232 S236	S178-V217 PolarHBondContact OG-N 2.66Å; S178-V217 VanDerWaalsContact OG-N 3.13Å; S178-V217 PolarHBondContact OG-O 2.98Å; F210-V217 HydrophobicContact CD1-CB 4.42Å; F210-V217 HydrophobicContact CD1-CG2 3.76Å; F210-V217 HydrophobicContact CE1-CB 4.49Å; F210-V217 HydrophobicContact CE1-CG2 3.47Å; F210-V217 VanDerWaalsContact CE1-CG2 3.47Å; V217-F232 HydrophobicContact CG2-CB 3.85Å; V217-S236 WeakPolarHBondContact CG2-OG 3.27Å
218	I	92.1	Very high	92.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-44	178.3	-61.6	158.5	0	0	0	110.5	F56 L57 Y182 I185 L191 L209 F210 E211 L216 T274	F56-I218 HydrophobicContact CE1-CG1 4.26Å; F56-I218 HydrophobicContact CZ-CG1 4.44Å; L57-I218 HydrophobicContact CD1-CD1 4.02Å; L57-I218 HydrophobicContact CD1-CG1 4.35Å; L57-I218 HydrophobicContact CD1-CG2 4.07Å; L57-I218 HydrophobicContact CD2-CD1 3.4Å; L57-I218 VanDerWaalsContact CD2-CD1 3.4Å; L57-I218 HydrophobicContact CG-CD1 4.05Å; Y182-I218 VanDerWaalsContact CD2-O 3.31Å; Y182-I218 WeakPolarHBondContact CD2-O 3.35Å; I185-I218 HydrophobicContact CD1-CB 4.44Å; I185-I218 HydrophobicContact CD1-CG1 4.46Å; I185-I218 HydrophobicContact CD1-CG2 3.73Å; L191-I218 HydrophobicContact CD2-CG2 3.45Å; L191-I218 VanDerWaalsContact CD2-CG2 3.45Å; L209-I218 PolarHBondContact O-N 3.07Å; F210-I218 VanDerWaalsContact C-CD1 3.47Å; E211-I218 HydrophobicContact CB-CD1 3.76Å; E211-I218 HydrophobicContact CB-CG1 4.11Å; E211-I218 VanDerWaalsContact N-CD1 3.25Å; L216-I218 PolarHBondContact O-N 3.25Å; I218-T274 HydrophobicContact CD1-CG2 3.93Å
219	S	92.2	Very high	92	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.7	-175.1	-174.8	0	0	0	0	109	E192 L195 L209	E192-S219 VanDerWaalsContact CG-OG 3.3Å; E192-S219 WeakPolarHBondContact CG-OG 3.46Å; L195-S219 WeakPolarHBondContact CD2-OG 3.49Å; L209-S219 PolarHBondContact N-O 2.87Å; L209-S219 PolarHBondContact O-N 2.84Å
220	H	94.1	Very high	91.7	Very high	75 Å²	75	62.6 Å²	62.6	35%	0.347	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.9	177.6	67.3	-78.7	0	0	0	110.9	V207 L208 F232	V207-H220 CarbonylContact O-C 3.23Å; V207-H220 VanDerWaalsContact O-CA 3.23Å; V207-H220 WeakPolarHBondContact O-CA 3.26Å; L208-H220 HydrophobicContact CD2-CB 3.53Å; H220-F232 HydrophobicContact CB-CE1 3.92Å; H220-F232 HydrophobicContact CB-CZ 4.5Å; H220-F232 AromaticContact CD2-CE1 3.8Å; H220-F232 AromaticContact CD2-CZ 3.52Å; H220-F232 AromaticContact CG-CE1 3.81Å; H220-F232 AromaticContact CG-CZ 3.9Å; H220-F232 AromaticContact NE2-CZ 3.8Å
221	Y	95.1	Very high	91.7	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.2	168.3	169.2	-92.7	0	0	0	108.4	R196 A199 E206 V207 C223	R196-Y221 HydrophobicContact CB-CD2 4Å; R196-Y221 HydrophobicContact CB-CE2 4.47Å; R196-Y221 HydrophobicContact CG-CD2 3.78Å; R196-Y221 HydrophobicContact CG-CE2 3.75Å; A199-Y221 HydrophobicContact CB-CD1 3.13Å; A199-Y221 HydrophobicContact CB-CD2 4.41Å; A199-Y221 HydrophobicContact CB-CE1 3.55Å; A199-Y221 HydrophobicContact CB-CG 3.6Å; E206-Y221 CarbonylContact C-O 3.59Å; E206-Y221 VanDerWaalsContact CA-O 3.24Å; E206-Y221 WeakPolarHBondContact CA-O 3.3Å; E206-Y221 WeakPolarHBondContact CG-O 3.32Å; V207-Y221 PolarHBondContact N-O 3.31Å; V207-Y221 PolarHBondContact O-N 2.94Å; Y221-C223 HydrophobicContact CE1-CB 4.29Å
222	Q	93.5	Very high	91.7	Very high	72 Å²	72	65 Å²	65	34%	0.336	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135	173.4	61.6	-176.2	2.5	0	0	109.2
223	C	87.7	Confident	91.7	Very high	75 Å²	75	60.5 Å²	60.5	51%	0.507	30%	0.298	S	S	.	.	S	Bend	trans	-81.2	-42.4	174.9	-177.3	0	0	0	0	111.1	D205 Y221	D205-C223 WeakPolarHBondContact O-CB 3.36Å; D205-C223 PolarHBondContact O-N 3.36Å; Y221-C223 HydrophobicContact CE1-CB 4.29Å
224	K	85.1	Confident	91.9	Very high	148 Å²	148	61.3 Å²	61.3	64%	0.643	29%	0.291	S	S	*	.	S	Bend	trans	-121.8	144.8	176.7	-65.4	176.5	-175.5	167.7	0	110	Q226	K224-Q226 PolarHBondContact O-N 2.85Å
225	E	87.7	Confident	92.1	Very high	180 Å²	180	62.6 Å²	62.6	84%	0.841	30%	0.297	S	S	*	.			trans	-65	127.3	173	-168.3	167.1	-165.5	0	0	109.7
226	Q	89.3	Confident	92.1	Very high	78 Å²	78	62.6 Å²	62.6	36%	0.364	30%	0.297	S	S	.	.			trans	-93	150.9	-177.3	-60.3	-64.4	-22.1	0	0	110.5	K224 D228	K224-Q226 PolarHBondContact O-N 2.85Å; Q226-D228 VanDerWaalsContact C-N 3.29Å; Q226-D228 PolarHBondContact O-N 2.9Å
227	R	88.7	Confident	92	Very high	258 Å²	258	63.7 Å²	63.7	97%	0.974	30%	0.303	S	S	*	.	S	Bend	trans	-59.9	-36.3	-177.1	-173.9	179.3	178.8	-173.9	-0	113.6
228	D	91.6	Very high	92.1	Very high	56 Å²	56	68 Å²	68	30%	0.299	33%	0.325	S	S	.	.			trans	-101.1	108.2	-178.5	-169.9	-1.4	0	0	0	110.9	Q226 H230 R231 K234	Q226-D228 VanDerWaalsContact C-N 3.29Å; Q226-D228 PolarHBondContact O-N 2.9Å; D228-H230 PolarHBondContact O-N 3.11Å; D228-H230 WeakPolarHBondContact OD1-CA 3.29Å; D228-H230 WeakPolarHBondContact OD1-CB 3.15Å; D228-H230 PolarHBondContact OD1-N 3.31Å; D228-R231 HydrophobicContact CB-CB 4.34Å; D228-R231 WeakPolarHBondContact O-CD 3.45Å; D228-R231 WeakPolarHBondContact O-CG 3.38Å; D228-R231 PolarHBondContact O-NH1 3.47Å; D228-K234 IonicContact OD1-NZ 2.82Å; D228-K234 IonicContact OD2-NZ 3.83Å; D228-K234 PolarHBondContact OD2-NZ 3.4Å
229	A	90.1	Very high	92.2	Very high	68 Å²	68	68.4 Å²	68.4	56%	0.562	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.2	174.7	0	0	0	0	0	112.9
230	H	90.4	Very high	92.3	Very high	75 Å²	75	68.4 Å²	68.4	35%	0.347	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	6.6	-177.3	-61.5	-69.1	0	0	0	113.7	K175 D228 F232 E233 K234	K175-H230 PolarHBondContact NZ-CE1 3Å; K175-H230 VanDerWaalsContact NZ-CE1 3.32Å; D228-H230 PolarHBondContact O-N 3.11Å; D228-H230 WeakPolarHBondContact OD1-CA 3.29Å; D228-H230 WeakPolarHBondContact OD1-CB 3.15Å; D228-H230 PolarHBondContact OD1-N 3.31Å; H230-F232 VanDerWaalsContact C-N 3.25Å; H230-F232 PolarHBondContact O-N 2.71Å; H230-E233 VanDerWaalsContact CA-CD 3.44Å; H230-E233 VanDerWaalsContact CA-OE1 3.27Å; H230-E233 WeakPolarHBondContact CA-OE1 3.31Å; H230-E233 HydrophobicContact CB-CG 4.4Å; H230-E233 WeakPolarHBondContact CB-OE1 3.43Å; H230-E233 IonicContact CE1-OE1 2.63Å; H230-E233 IonicContact CG-OE1 2.74Å; H230-E233 IonicContact ND1-OE1 3.19Å; H230-E233 PolarHBondContact ND1-OE1 3.08Å; H230-E233 VanDerWaalsContact O-CG 3.28Å; H230-E233 WeakPolarHBondContact O-CG 3.46Å; H230-K234 WeakPolarHBondContact O-CG 3.48Å; H230-K234 PolarHBondContact O-N 3.47Å
231	R	94.4	Very high	92.2	Very high	28 Å²	28	69.9 Å²	69.9	11%	0.106	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-30.8	-175.1	70	-172.2	-178.2	-75.7	-1.8	113.3	E206 D228 K234 I235	E206-R231 IonicContact OE1-CZ 2.74Å; E206-R231 IonicContact OE1-NE 3.97Å; E206-R231 PolarHBondContact OE1-NE 3.48Å; E206-R231 IonicContact OE1-NH2 2.79Å; E206-R231 PolarHBondContact OE1-NH2 3.46Å; E206-R231 IonicContact OE2-CZ 3.03Å; E206-R231 IonicContact OE2-NE 3.95Å; E206-R231 PolarHBondContact OE2-NE 3.48Å; E206-R231 IonicContact OE2-NH2 2.6Å; D228-R231 HydrophobicContact CB-CB 4.34Å; D228-R231 WeakPolarHBondContact O-CD 3.45Å; D228-R231 WeakPolarHBondContact O-CG 3.38Å; D228-R231 PolarHBondContact O-NH1 3.47Å; R231-K234 PolarHBondContact O-N 3.41Å; R231-I235 WeakPolarHBondContact O-CB 3.45Å; R231-I235 WeakPolarHBondContact O-CD1 3.45Å; R231-I235 WeakPolarHBondContact O-CG1 3.45Å; R231-I235 PolarHBondContact O-N 2.9Å
232	F	94.1	Very high	92.2	Very high	33 Å²	33	72.4 Å²	72.4	15%	0.145	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-52.9	-176.9	-53.8	-66	0	0	0	111	E206 L208 V217 H220 H230 K234 I235 S236	E206-F232 WeakPolarHBondContact OE1-CE1 3.39Å; L208-F232 HydrophobicContact CD1-CD1 4.24Å; L208-F232 HydrophobicContact CD2-CD1 3.55Å; L208-F232 HydrophobicContact CD2-CE1 3.45Å; L208-F232 VanDerWaalsContact CD2-CE1 3.45Å; V217-F232 HydrophobicContact CG2-CB 3.85Å; H220-F232 HydrophobicContact CB-CE1 3.92Å; H220-F232 HydrophobicContact CB-CZ 4.5Å; H220-F232 AromaticContact CD2-CE1 3.8Å; H220-F232 AromaticContact CD2-CZ 3.52Å; H220-F232 AromaticContact CG-CE1 3.81Å; H220-F232 AromaticContact CG-CZ 3.9Å; H220-F232 AromaticContact NE2-CZ 3.8Å; H230-F232 VanDerWaalsContact C-N 3.25Å; H230-F232 PolarHBondContact O-N 2.71Å; F232-K234 VanDerWaalsContact C-N 3.35Å; F232-K234 PolarHBondContact O-N 2.83Å; F232-I235 PolarHBondContact O-N 2.74Å; F232-S236 PolarHBondContact O-N 2.65Å; F232-S236 PolarHBondContact O-OG 3.4Å
233	E	92.9	Very high	92.1	Very high	9 Å²	9	70.6 Å²	70.6	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-34	179	58.2	-93.3	-140.6	0	0	112.5	E171 K175 H230 S236 N237	E171-E233 HydrophobicContact CB-CB 3.93Å; E171-E233 HydrophobicContact CB-CG 3.73Å; E171-E233 HydrophobicContact CG-CB 4.31Å; E171-E233 HydrophobicContact CG-CG 3.52Å; E171-E233 WeakPolarHBondContact O-CB 3.4Å; K175-E233 HydrophobicContact CB-CB 4.01Å; K175-E233 HydrophobicContact CB-CG 4.02Å; K175-E233 WeakPolarHBondContact CD-OE1 3.27Å; H230-E233 VanDerWaalsContact CA-CD 3.44Å; H230-E233 VanDerWaalsContact CA-OE1 3.27Å; H230-E233 WeakPolarHBondContact CA-OE1 3.31Å; H230-E233 HydrophobicContact CB-CG 4.4Å; H230-E233 WeakPolarHBondContact CB-OE1 3.43Å; H230-E233 IonicContact CE1-OE1 2.63Å; H230-E233 IonicContact CG-OE1 2.74Å; H230-E233 IonicContact ND1-OE1 3.19Å; H230-E233 PolarHBondContact ND1-OE1 3.08Å; H230-E233 VanDerWaalsContact O-CG 3.28Å; H230-E233 WeakPolarHBondContact O-CG 3.46Å; E233-S236 PolarHBondContact O-N 3.2Å; E233-N237 WeakPolarHBondContact O-CB 3.48Å; E233-N237 PolarHBondContact O-N 2.88Å
234	K	95	Very high	92.3	Very high	70 Å²	70	68 Å²	68	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-48.2	172.6	-71.1	174.8	-175.3	174.4	0	111.7	E171 D228 H230 R231 F232 N237 I238	E171-K234 HydrophobicContact CB-CG 4.24Å; E171-K234 HydrophobicContact CG-CG 3.86Å; E171-K234 WeakPolarHBondContact OE1-CE 3.28Å; D228-K234 IonicContact OD1-NZ 2.82Å; D228-K234 IonicContact OD2-NZ 3.83Å; D228-K234 PolarHBondContact OD2-NZ 3.4Å; H230-K234 WeakPolarHBondContact O-CG 3.48Å; H230-K234 PolarHBondContact O-N 3.47Å; R231-K234 PolarHBondContact O-N 3.41Å; F232-K234 VanDerWaalsContact C-N 3.35Å; F232-K234 PolarHBondContact O-N 2.83Å; K234-N237 PolarHBondContact O-N 3.1Å; K234-I238 WeakPolarHBondContact O-CB 3.36Å; K234-I238 VanDerWaalsContact O-CG1 3.24Å; K234-I238 WeakPolarHBondContact O-CG1 3.48Å; K234-I238 PolarHBondContact O-N 3.18Å
235	I	95.9	Very high	92.7	Very high	29 Å²	29	64.1 Å²	64.1	15%	0.149	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-46.4	177.4	-69.4	164.4	0	0	0	110.2	L208 F210 R231 F232 N237 I238 I239 M277	L208-I235 HydrophobicContact CD1-CD1 3.71Å; F210-I235 HydrophobicContact CE1-CG2 4.24Å; F210-I235 HydrophobicContact CZ-CG2 3.75Å; R231-I235 WeakPolarHBondContact O-CB 3.45Å; R231-I235 WeakPolarHBondContact O-CD1 3.45Å; R231-I235 WeakPolarHBondContact O-CG1 3.45Å; R231-I235 PolarHBondContact O-N 2.9Å; F232-I235 PolarHBondContact O-N 2.74Å; I235-N237 VanDerWaalsContact C-N 3.33Å; I235-N237 PolarHBondContact O-N 2.8Å; I235-I238 PolarHBondContact O-N 3.28Å; I235-I239 HydrophobicContact CG2-CG1 4.15Å; I235-I239 WeakPolarHBondContact O-CG1 3.35Å; I235-I239 PolarHBondContact O-N 2.87Å; I235-M277 HydrophobicContact CD1-CE 4.22Å; I235-M277 HydrophobicContact CD1-SD 4.1Å; I235-M277 HydrophobicContact CG2-SD 3.78Å
236	S	95	Very high	92.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.4	-48.5	175.3	-75.4	0	0	0	0	112	F215 V217 F232 E233 K240	F215-S236 VanDerWaalsContact O-CB 3.26Å; F215-S236 WeakPolarHBondContact O-CB 3.28Å; F215-S236 PolarHBondContact O-OG 2.89Å; V217-S236 WeakPolarHBondContact CG2-OG 3.27Å; F232-S236 PolarHBondContact O-N 2.65Å; F232-S236 PolarHBondContact O-OG 3.4Å; E233-S236 PolarHBondContact O-N 3.2Å; S236-K240 WeakPolarHBondContact O-CB 3.12Å; S236-K240 PolarHBondContact O-N 3.26Å
237	N	93.5	Very high	92.9	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-48.7	179.8	-168.8	19.5	0	0	0	111.9	E171 Y174 E233 K234 I235 I239 K240 Q241	E171-N237 HydrophobicContact CB-CB 4.46Å; Y174-N237 HydrophobicContact CD2-CB 4Å; Y174-N237 HydrophobicContact CE2-CB 3.97Å; E233-N237 WeakPolarHBondContact O-CB 3.48Å; E233-N237 PolarHBondContact O-N 2.88Å; K234-N237 PolarHBondContact O-N 3.1Å; I235-N237 VanDerWaalsContact C-N 3.33Å; I235-N237 PolarHBondContact O-N 2.8Å; N237-I239 PolarHBondContact O-N 3.27Å; N237-K240 PolarHBondContact O-N 3.27Å; N237-Q241 WeakPolarHBondContact O-CB 3.43Å; N237-Q241 VanDerWaalsContact O-CG 3.3Å; N237-Q241 WeakPolarHBondContact O-CG 3.39Å; N237-Q241 PolarHBondContact O-N 2.82Å; N237-Q241 PolarHBondContact OD1-NE2 2.77Å
238	I	95.4	Very high	92.9	Very high	107 Å²	107	51 Å²	51	55%	0.549	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-52.1	-179.5	-69	164.6	0	0	0	111	K234 I235 K240 Q241 F242	K234-I238 WeakPolarHBondContact O-CB 3.36Å; K234-I238 VanDerWaalsContact O-CG1 3.24Å; K234-I238 WeakPolarHBondContact O-CG1 3.48Å; K234-I238 PolarHBondContact O-N 3.18Å; I235-I238 PolarHBondContact O-N 3.28Å; I238-K240 PolarHBondContact O-N 3.11Å; I238-Q241 PolarHBondContact O-N 3.25Å; I238-F242 PolarHBondContact O-N 3.45Å
239	I	95.3	Very high	92.9	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-35.8	-176.4	-58	-62.5	0	0	0	111.1	F215 I235 N237 F242 K243 F253 M256 I267	F215-I239 HydrophobicContact CD1-CB 3.91Å; F215-I239 HydrophobicContact CD1-CG2 3.94Å; F215-I239 HydrophobicContact CD2-CG2 4.39Å; F215-I239 HydrophobicContact CE1-CB 3.56Å; F215-I239 HydrophobicContact CE1-CG1 4.12Å; F215-I239 HydrophobicContact CE1-CG2 3.31Å; F215-I239 HydrophobicContact CE2-CG2 3.81Å; F215-I239 HydrophobicContact CG-CG2 4.44Å; F215-I239 HydrophobicContact CZ-CB 4.05Å; F215-I239 HydrophobicContact CZ-CG2 3.23Å; I235-I239 HydrophobicContact CG2-CG1 4.15Å; I235-I239 WeakPolarHBondContact O-CG1 3.35Å; I235-I239 PolarHBondContact O-N 2.87Å; N237-I239 PolarHBondContact O-N 3.27Å; I239-F242 PolarHBondContact O-N 3.12Å; I239-K243 VanDerWaalsContact O-CB 3.32Å; I239-K243 WeakPolarHBondContact O-CB 3.46Å; I239-K243 PolarHBondContact O-N 2.91Å; I239-F253 HydrophobicContact CG2-CE1 4.08Å; I239-M256 HydrophobicContact CD1-CE 4.48Å; I239-M256 HydrophobicContact CD1-SD 4.34Å; I239-I267 HydrophobicContact CD1-CD1 3.45Å; I239-I267 VanDerWaalsContact CD1-CD1 3.45Å; I239-I267 HydrophobicContact CG1-CD1 3.9Å
240	K	93.4	Very high	92.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-47.4	173.5	-178.1	62.4	162	-166.4	0	111.1	N34 Y174 A213 F215 S236 N237 I238 F242 K243 L244	N34-K240 PolarHBondContact OD1-NZ 3.34Å; Y174-K240 HydrophobicContact CE1-CG 4.44Å; Y174-K240 WeakPolarHBondContact OH-CG 3.34Å; A213-K240 PolarHBondContact O-NZ 2.55Å; F215-K240 HydrophobicContact CB-CB 4.36Å; S236-K240 WeakPolarHBondContact O-CB 3.12Å; S236-K240 PolarHBondContact O-N 3.26Å; N237-K240 PolarHBondContact O-N 3.27Å; I238-K240 PolarHBondContact O-N 3.11Å; K240-F242 VanDerWaalsContact C-N 3.33Å; K240-F242 PolarHBondContact O-N 3.33Å; K240-K243 PolarHBondContact O-N 2.79Å; K240-L244 VanDerWaalsContact O-CG 3.3Å; K240-L244 WeakPolarHBondContact O-CG 3.47Å; K240-L244 PolarHBondContact O-N 2.79Å
241	Q	92.1	Very high	92.8	Very high	105 Å²	105	56 Å²	56	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.4	-71.9	-178.1	12.6	0	0	112.3	N237 I238 L244 S245	N237-Q241 WeakPolarHBondContact O-CB 3.43Å; N237-Q241 VanDerWaalsContact O-CG 3.3Å; N237-Q241 WeakPolarHBondContact O-CG 3.39Å; N237-Q241 PolarHBondContact O-N 2.82Å; N237-Q241 PolarHBondContact OD1-NE2 2.77Å; I238-Q241 PolarHBondContact O-N 3.25Å; Q241-L244 PolarHBondContact O-N 3.05Å; Q241-S245 PolarHBondContact O-N 3.2Å; Q241-S245 PolarHBondContact O-OG 3.21Å; Q241-S245 VanDerWaalsContact O-OG 3.11Å
242	F	94.4	Very high	92.5	Very high	92 Å²	92	59.6 Å²	59.6	40%	0.404	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-46.4	174.4	-176.1	-107.8	0	0	0	111.7	I238 I239 K240 L244 S245 C246 F253 M256	I238-F242 PolarHBondContact O-N 3.45Å; I239-F242 PolarHBondContact O-N 3.12Å; K240-F242 VanDerWaalsContact C-N 3.33Å; K240-F242 PolarHBondContact O-N 3.33Å; F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.48Å; F242-S245 WeakPolarHBondContact O-CA 2.96Å; F242-S245 WeakPolarHBondContact O-CB 3.27Å; F242-S245 PolarHBondContact O-N 3.03Å; F242-C246 PolarHBondContact O-N 2.87Å; F242-C246 PolarHBondContact O-SG 3.05Å; F242-C246 VanDerWaalsContact O-SG 3.36Å; F242-F253 AromaticContact CD1-CD2 3.92Å; F242-F253 HydrophobicContact CD1-CD2 3.92Å; F242-F253 HydrophobicContact CD1-CE2 4.1Å; F242-F253 AromaticContact CE1-CD2 3.61Å; F242-F253 HydrophobicContact CE1-CD2 3.61Å; F242-F253 AromaticContact CE1-CE2 3.8Å; F242-F253 HydrophobicContact CE1-CE2 3.8Å; F242-M256 HydrophobicContact CD1-CE 3.54Å; F242-M256 HydrophobicContact CE1-CE 3.37Å; F242-M256 HydrophobicContact CG-CE 4.21Å; F242-M256 HydrophobicContact CZ-CE 3.92Å
243	K	93	Very high	92.4	Very high	35 Å²	35	58.8 Å²	58.8	15%	0.152	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-37.9	177.4	-174.6	-179.2	176.8	-163.9	0	112.7	R212 I239 K240 C246 S247 F253	R212-K243 PolarHBondContact O-NZ 3.3Å; I239-K243 VanDerWaalsContact O-CB 3.32Å; I239-K243 WeakPolarHBondContact O-CB 3.46Å; I239-K243 PolarHBondContact O-N 2.91Å; K240-K243 PolarHBondContact O-N 2.79Å; K243-C246 PolarHBondContact O-N 2.91Å; K243-S247 WeakPolarHBondContact O-CB 3.46Å; K243-S247 PolarHBondContact O-N 3.06Å; K243-S247 PolarHBondContact O-OG 2.86Å; K243-F253 HydrophobicContact CB-CB 4.38Å; K243-F253 HydrophobicContact CG-CB 4.11Å
244	L	91.2	Very high	92.3	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-40.5	173.5	-66.8	176.7	0	0	0	111.3	N34 I36 K240 Q241 F242 S247 K248	N34-L244 HydrophobicContact CB-CD2 3.52Å; N34-L244 WeakPolarHBondContact O-CD2 3.18Å; I36-L244 HydrophobicContact CG2-CD1 3.84Å; K240-L244 VanDerWaalsContact O-CG 3.3Å; K240-L244 WeakPolarHBondContact O-CG 3.47Å; K240-L244 PolarHBondContact O-N 2.79Å; Q241-L244 PolarHBondContact O-N 3.05Å; F242-L244 VanDerWaalsContact C-N 3.32Å; F242-L244 PolarHBondContact O-N 3.48Å; L244-S247 PolarHBondContact O-N 3.49Å; L244-K248 WeakPolarHBondContact O-CG 2.98Å; L244-K248 PolarHBondContact O-N 2.98Å; L244-K248 VanDerWaalsContact O-N 3.15Å
245	S	92.7	Very high	92.2	Very high	66 Å²	66	64.6 Å²	64.6	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175	-61.1	0	0	0	0	112.1	Q241 F242 S247 K248 L249	Q241-S245 PolarHBondContact O-N 3.2Å; Q241-S245 PolarHBondContact O-OG 3.21Å; Q241-S245 VanDerWaalsContact O-OG 3.11Å; F242-S245 WeakPolarHBondContact O-CA 2.96Å; F242-S245 WeakPolarHBondContact O-CB 3.27Å; F242-S245 PolarHBondContact O-N 3.03Å; S245-S247 VanDerWaalsContact C-N 3.32Å; S245-S247 PolarHBondContact O-N 2.68Å; S245-K248 PolarHBondContact O-N 2.81Å; S245-L249 PolarHBondContact O-N 2.78Å
246	C	92.3	Very high	92.1	Very high	21 Å²	21	65.6 Å²	65.6	14%	0.142	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-42.5	173.6	-61.7	0	0	0	0	112.1	F242 K243 K248 L249 A250 A251	F242-C246 PolarHBondContact O-N 2.87Å; F242-C246 PolarHBondContact O-SG 3.05Å; F242-C246 VanDerWaalsContact O-SG 3.36Å; K243-C246 PolarHBondContact O-N 2.91Å; C246-K248 VanDerWaalsContact C-N 3.27Å; C246-K248 PolarHBondContact O-N 3.49Å; C246-L249 CarbonylContact O-C 3.47Å; C246-L249 WeakPolarHBondContact O-CA 3.29Å; C246-L249 WeakPolarHBondContact O-CB 3.33Å; C246-L249 PolarHBondContact O-N 3.36Å; C246-A250 PolarHBondContact O-N 2.95Å; C246-A251 CarbonylContact C-O 3.48Å; C246-A251 WeakPolarHBondContact CB-O 3.19Å; C246-A251 PolarHBondContact O-N 3.28Å
247	S	89.7	Confident	92	Very high	68 Å²	68	69.9 Å²	69.9	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-33.1	-177.7	-57.1	0	0	0	0	112	K243 L244 S245 L249 A250 A251	K243-S247 WeakPolarHBondContact O-CB 3.46Å; K243-S247 PolarHBondContact O-N 3.06Å; K243-S247 PolarHBondContact O-OG 2.86Å; L244-S247 PolarHBondContact O-N 3.49Å; S245-S247 VanDerWaalsContact C-N 3.32Å; S245-S247 PolarHBondContact O-N 2.68Å; S247-L249 PolarHBondContact O-N 2.81Å; S247-A250 PolarHBondContact O-N 2.88Å; S247-A250 VanDerWaalsContact O-N 3.08Å; S247-A251 PolarHBondContact N-O 3.5Å
248	K	89.2	Confident	92	Very high	152 Å²	152	72 Å²	72	66%	0.661	41%	0.407	S	S	*	.	H	α-helix	trans	-65.1	-26	171.9	-70.8	176.3	-179	179.9	0	113	L244 S245 C246 A250	L244-K248 WeakPolarHBondContact O-CG 2.98Å; L244-K248 PolarHBondContact O-N 2.98Å; L244-K248 VanDerWaalsContact O-N 3.15Å; S245-K248 PolarHBondContact O-N 2.81Å; C246-K248 VanDerWaalsContact C-N 3.27Å; C246-K248 PolarHBondContact O-N 3.49Å; K248-A250 VanDerWaalsContact C-N 3.26Å
249	L	90.2	Very high	91.7	Very high	144 Å²	144	72.3 Å²	72.3	75%	0.754	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	12.5	174	-58.5	173.8	0	0	0	112.6	S245 C246 S247 A251	S245-L249 PolarHBondContact O-N 2.78Å; C246-L249 CarbonylContact O-C 3.47Å; C246-L249 WeakPolarHBondContact O-CA 3.29Å; C246-L249 WeakPolarHBondContact O-CB 3.33Å; C246-L249 PolarHBondContact O-N 3.36Å; S247-L249 PolarHBondContact O-N 2.81Å; L249-A251 PolarHBondContact O-N 3.4Å
250	A	89.2	Confident	91.5	Very high	102 Å²	102	75.8 Å²	75.8	84%	0.843	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	21.9	-178	0	0	0	0	0	115	C246 S247 K248	C246-A250 PolarHBondContact O-N 2.95Å; S247-A250 PolarHBondContact O-N 2.88Å; S247-A250 VanDerWaalsContact O-N 3.08Å; K248-A250 VanDerWaalsContact C-N 3.26Å
251	A	89.4	Confident	91.3	Very high	56 Å²	56	81 Å²	81	46%	0.463	46%	0.457	S	S	.	.			trans	-119	140.7	174.9	0	0	0	0	0	111.3	C246 S247 L249	C246-A251 CarbonylContact C-O 3.48Å; C246-A251 WeakPolarHBondContact CB-O 3.19Å; C246-A251 PolarHBondContact O-N 3.28Å; S247-A251 PolarHBondContact N-O 3.5Å; L249-A251 PolarHBondContact O-N 3.4Å
252	S	88.1	Confident	91.2	Very high	104 Å²	104	81.7 Å²	81.7	73%	0.727	46%	0.464	S	S	*	.			trans	-88.7	131.8	174.2	59.2	0	0	0	0	110.8	Q254	S252-Q254 PolarHBondContact O-N 2.93Å
253	F	91.9	Very high	91.1	Very high	16 Å²	16	80.9 Å²	80.9	7%	0.07	46%	0.46	C	S	.	.			trans	-57.3	133.5	165.6	-179.8	-115.1	0	0	0	110.2	I239 F242 K243 S255 M256 I267 Y275	I239-F253 HydrophobicContact CG2-CE1 4.08Å; F242-F253 AromaticContact CD1-CD2 3.92Å; F242-F253 HydrophobicContact CD1-CD2 3.92Å; F242-F253 HydrophobicContact CD1-CE2 4.1Å; F242-F253 AromaticContact CE1-CD2 3.61Å; F242-F253 HydrophobicContact CE1-CD2 3.61Å; F242-F253 AromaticContact CE1-CE2 3.8Å; F242-F253 HydrophobicContact CE1-CE2 3.8Å; K243-F253 HydrophobicContact CB-CB 4.38Å; K243-F253 HydrophobicContact CG-CB 4.11Å; F253-S255 VanDerWaalsContact CE2-O 3.27Å; F253-S255 WeakPolarHBondContact CE2-O 3.5Å; F253-M256 HydrophobicContact CE2-CB 3.8Å; F253-M256 HydrophobicContact CE2-CE 3.87Å; F253-M256 HydrophobicContact CZ-CB 3.7Å; F253-M256 HydrophobicContact CZ-CE 4.24Å; F253-I267 HydrophobicContact CE1-CG2 3.92Å; F253-I267 HydrophobicContact CZ-CB 4.46Å; F253-I267 HydrophobicContact CZ-CG2 4.05Å; F253-Y275 AromaticContact CD1-CE1 3.96Å; F253-Y275 HydrophobicContact CD1-CE1 3.96Å; F253-Y275 HydrophobicContact CE1-CD1 4.42Å; F253-Y275 AromaticContact CE1-CE1 3.85Å; F253-Y275 HydrophobicContact CE1-CE1 3.85Å; F253-Y275 PolarHBondContact O-OH 3.33Å
254	Q	90.6	Very high	91.1	Very high	133 Å²	133	79.5 Å²	79.5	62%	0.621	46%	0.455	S	S	*	.			trans	-122.3	-53.9	179.9	-178.2	179	-10.4	0	0	111.5	S252 V269 Y275	S252-Q254 PolarHBondContact O-N 2.93Å; Q254-V269 PolarHBondContact O-N 2.92Å; Q254-Y275 WeakPolarHBondContact O-CE1 3.43Å
255	S	93.6	Very high	91.2	Very high	69 Å²	69	78.7 Å²	78.7	48%	0.483	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.7	179	61.2	0	0	0	0	111.6	F253 I267	F253-S255 VanDerWaalsContact CE2-O 3.27Å; F253-S255 WeakPolarHBondContact CE2-O 3.5Å; S255-I267 CarbonylContact C-O 3.56Å; S255-I267 WeakPolarHBondContact CA-O 3.29Å; S255-I267 VanDerWaalsContact CB-O 3.31Å; S255-I267 WeakPolarHBondContact CB-O 3.45Å
256	M	93.9	Very high	91.4	Very high	50 Å²	50	75.8 Å²	75.8	25%	0.246	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.3	175.1	-174.1	179.8	-69.9	0	0	109.5	I239 F242 F253 V258 I267	I239-M256 HydrophobicContact CD1-CE 4.48Å; I239-M256 HydrophobicContact CD1-SD 4.34Å; F242-M256 HydrophobicContact CD1-CE 3.54Å; F242-M256 HydrophobicContact CE1-CE 3.37Å; F242-M256 HydrophobicContact CG-CE 4.21Å; F242-M256 HydrophobicContact CZ-CE 3.92Å; F253-M256 HydrophobicContact CE2-CB 3.8Å; F253-M256 HydrophobicContact CE2-CE 3.87Å; F253-M256 HydrophobicContact CZ-CB 3.7Å; F253-M256 HydrophobicContact CZ-CE 4.24Å; M256-V258 HydrophobicContact CG-CG2 3.87Å; M256-V258 HydrophobicContact SD-CG2 3.89Å; M256-I267 HydrophobicContact CB-CB 4.25Å; M256-I267 PolarHBondContact N-O 3.18Å; M256-I267 PolarHBondContact O-N 3.19Å
257	E	93.8	Very high	91.6	Very high	90 Å²	90	75.2 Å²	75.2	42%	0.421	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126	169.5	178.9	172.8	175.3	0	0	108.2	R259 A265 F266 S287	E257-R259 HydrophobicContact CG-CG 4.39Å; E257-R259 WeakPolarHBondContact OE1-CD 3.46Å; E257-R259 IonicContact OE1-CZ 3.78Å; E257-R259 IonicContact OE1-NE 3.62Å; E257-R259 PolarHBondContact OE1-NE 3.13Å; E257-R259 IonicContact OE1-NH2 2.68Å; E257-A265 WeakPolarHBondContact CA-O 3.33Å; E257-F266 HydrophobicContact CB-CD1 4.28Å; E257-F266 HydrophobicContact CG-CD1 3.87Å; E257-F266 HydrophobicContact CG-CE1 3.67Å; E257-F266 HydrophobicContact CG-CZ 4.5Å; E257-F266 WeakPolarHBondContact OE1-CE1 3.41Å; E257-S287 PolarHBondContact OE1-OG 3.49Å
258	V	92.8	Very high	91.8	Very high	68 Å²	68	73.2 Å²	73.2	41%	0.412	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.3	177	-176.5	0	0	0	0	108.1	M256 A264 A265	M256-V258 HydrophobicContact CG-CG2 3.87Å; M256-V258 HydrophobicContact SD-CG2 3.89Å; V258-A264 CarbonylContact O-C 3.06Å; V258-A264 WeakPolarHBondContact O-CA 3.35Å; V258-A265 PolarHBondContact N-O 3.03Å; V258-A265 PolarHBondContact O-N 2.67Å
259	R	90	Very high	92.1	Very high	114 Å²	114	67.1 Å²	67.1	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.8	179.7	-74.4	-179	168.1	-92.6	0.5	110.9	E257 A264 S287	E257-R259 HydrophobicContact CG-CG 4.39Å; E257-R259 WeakPolarHBondContact OE1-CD 3.46Å; E257-R259 IonicContact OE1-CZ 3.78Å; E257-R259 IonicContact OE1-NE 3.62Å; E257-R259 PolarHBondContact OE1-NE 3.13Å; E257-R259 IonicContact OE1-NH2 2.68Å; R259-A264 HydrophobicContact CG-CB 3.8Å; R259-S287 PolarHBondContact NE-OG 3.47Å; R259-S287 PolarHBondContact NH2-OG 3.12Å
260	N	90.4	Very high	92.2	Very high	83 Å²	83	60.3 Å²	60.3	44%	0.444	35%	0.35	S	S	.	.			trans	-138.7	-170.2	164.3	68	23.4	0	0	0	109.9	N262 F263	N260-N262 PolarHBondContact O-N 3.44Å; N260-N262 WeakPolarHBondContact OD1-CA 3.24Å; N260-N262 PolarHBondContact OD1-N 3.04Å; N260-F263 PolarHBondContact N-O 3.25Å; N260-F263 VanDerWaalsContact ND2-CD1 3.29Å; N260-F263 WeakPolarHBondContact ND2-CD1 3.3Å; N260-F263 WeakPolarHBondContact ND2-CE1 3.2Å; N260-F263 WeakPolarHBondContact OD1-CD1 3.21Å; N260-F263 PolarHBondContact OD1-N 2.95Å; N260-F263 PolarHBondContact OD1-O 2.8Å
261	S	88.9	Confident	92.4	Very high	112 Å²	112	55.6 Å²	55.6	78%	0.783	31%	0.311	S	S	*	.	S	Bend	trans	-65.9	-18.6	-179.7	57	0	0	0	0	114.6
262	N	89.4	Confident	92.4	Very high	119 Å²	119	56 Å²	56	64%	0.636	31%	0.31	S	S	*	.	S	Bend	trans	-113.1	-27.5	-169.1	-58.3	-9.9	0	0	0	112.8	N260	N260-N262 PolarHBondContact O-N 3.44Å; N260-N262 WeakPolarHBondContact OD1-CA 3.24Å; N260-N262 PolarHBondContact OD1-N 3.04Å
263	F	92.3	Very high	92.6	Very high	76 Å²	76	53 Å²	53	33%	0.333	29%	0.286	S	S	.	.			trans	-154.9	160.3	-179.1	79	-90.9	0	0	0	113.2	N260 A265 I279 M280	N260-F263 PolarHBondContact N-O 3.25Å; N260-F263 VanDerWaalsContact ND2-CD1 3.29Å; N260-F263 WeakPolarHBondContact ND2-CD1 3.3Å; N260-F263 WeakPolarHBondContact ND2-CE1 3.2Å; N260-F263 WeakPolarHBondContact OD1-CD1 3.21Å; N260-F263 PolarHBondContact OD1-N 2.95Å; N260-F263 PolarHBondContact OD1-O 2.8Å; F263-A265 HydrophobicContact CD2-CB 4.05Å; F263-A265 HydrophobicContact CE2-CB 3.72Å; F263-I279 HydrophobicContact CB-CG2 4.36Å; F263-I279 HydrophobicContact CD2-CG2 4.14Å; F263-M280 CarbonylContact C-O 3.44Å; F263-M280 VanDerWaalsContact CA-O 3.27Å; F263-M280 WeakPolarHBondContact CA-O 3.48Å
264	A	92.9	Very high	92.7	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	165.5	0	0	0	0	0	109.4	V258 R259 F266 I279 M280	V258-A264 CarbonylContact O-C 3.06Å; V258-A264 WeakPolarHBondContact O-CA 3.35Å; R259-A264 HydrophobicContact CG-CB 3.8Å; A264-F266 HydrophobicContact CB-CE2 3.78Å; A264-F266 HydrophobicContact CB-CZ 4.1Å; A264-I279 WeakPolarHBondContact O-CA 2.97Å; A264-M280 PolarHBondContact N-O 3.22Å; A264-M280 PolarHBondContact O-N 3.12Å
265	A	94.9	Very high	92.9	Very high	5 Å²	5	46 Å²	46	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.3	174.5	0	0	0	0	0	110.5	E257 V258 F263 M277 V278 I279	E257-A265 WeakPolarHBondContact CA-O 3.33Å; V258-A265 PolarHBondContact N-O 3.03Å; V258-A265 PolarHBondContact O-N 2.67Å; F263-A265 HydrophobicContact CD2-CB 4.05Å; F263-A265 HydrophobicContact CE2-CB 3.72Å; A265-M277 HydrophobicContact CB-CE 3.84Å; A265-V278 CarbonylContact C-O 3.56Å; A265-V278 VanDerWaalsContact CA-O 3.32Å; A265-V278 WeakPolarHBondContact CA-O 3.08Å; A265-I279 HydrophobicContact CB-CG1 4.39Å
266	F	95.4	Very high	93.1	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.3	179.5	-56.9	-91.2	0	0	0	109	E257 A264 M277 V278 M280 T290 L291 I294	E257-F266 HydrophobicContact CB-CD1 4.28Å; E257-F266 HydrophobicContact CG-CD1 3.87Å; E257-F266 HydrophobicContact CG-CE1 3.67Å; E257-F266 HydrophobicContact CG-CZ 4.5Å; E257-F266 WeakPolarHBondContact OE1-CE1 3.41Å; A264-F266 HydrophobicContact CB-CE2 3.78Å; A264-F266 HydrophobicContact CB-CZ 4.1Å; F266-M277 CarbonylContact O-C 3.55Å; F266-M277 WeakPolarHBondContact O-CA 3.47Å; F266-V278 PolarHBondContact N-O 2.89Å; F266-V278 PolarHBondContact O-N 3.42Å; F266-M280 HydrophobicContact CE2-CG 4.3Å; F266-T290 HydrophobicContact CD2-CG2 3.77Å; F266-T290 HydrophobicContact CE2-CG2 3.89Å; F266-T290 HydrophobicContact CG-CG2 4.27Å; F266-T290 HydrophobicContact CZ-CG2 4.47Å; F266-L291 HydrophobicContact CD1-CD2 4.22Å; F266-I294 HydrophobicContact CB-CD1 4.26Å
267	I	96.4	Very high	93.2	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.1	172.1	-57.2	174.9	0	0	0	107.2	F215 I239 F253 S255 M256 Y275 V276 M277	F215-I267 HydrophobicContact CZ-CG2 4.37Å; I239-I267 HydrophobicContact CD1-CD1 3.45Å; I239-I267 VanDerWaalsContact CD1-CD1 3.45Å; I239-I267 HydrophobicContact CG1-CD1 3.9Å; F253-I267 HydrophobicContact CE1-CG2 3.92Å; F253-I267 HydrophobicContact CZ-CB 4.46Å; F253-I267 HydrophobicContact CZ-CG2 4.05Å; S255-I267 CarbonylContact C-O 3.56Å; S255-I267 WeakPolarHBondContact CA-O 3.29Å; S255-I267 VanDerWaalsContact CB-O 3.31Å; S255-I267 WeakPolarHBondContact CB-O 3.45Å; M256-I267 HydrophobicContact CB-CB 4.25Å; M256-I267 PolarHBondContact N-O 3.18Å; M256-I267 PolarHBondContact O-N 3.19Å; I267-Y275 HydrophobicContact CG2-CD1 4Å; I267-V276 WeakPolarHBondContact CA-O 3.47Å; I267-M277 HydrophobicContact CD1-CG 4.42Å; I267-M277 HydrophobicContact CD1-SD 4.15Å; I267-M277 HydrophobicContact CG1-CB 4.01Å; I267-M277 HydrophobicContact CG1-CG 3.76Å; I267-M277 HydrophobicContact CG1-SD 4.13Å
268	D	95.3	Very high	93.4	Very high	27 Å²	27	37 Å²	37	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.1	177.2	-165.1	12.1	0	0	0	110.7	F270 Y275 V276 R298	D268-F270 PolarHBondContact O-N 3.11Å; D268-Y275 VanDerWaalsContact C-CD1 3.41Å; D268-Y275 WeakPolarHBondContact O-CA 3.33Å; D268-Y275 VanDerWaalsContact O-CD1 3.28Å; D268-Y275 WeakPolarHBondContact O-CD1 3.35Å; D268-V276 PolarHBondContact N-O 2.69Å; D268-V276 PolarHBondContact O-N 3.04Å; D268-R298 IonicContact OD2-NH2 3.18Å; D268-R298 PolarHBondContact OD2-NH2 3.01Å
269	V	94.3	Very high	93.5	Very high	24 Å²	24	35 Å²	35	15%	0.145	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	125.5	169.3	175.9	0	0	0	0	107.7	Q254 T271 Y275 R298	Q254-V269 PolarHBondContact O-N 2.92Å; V269-T271 WeakPolarHBondContact CG1-O 3.28Å; V269-Y275 HydrophobicContact CB-CE1 4.37Å; V269-Y275 HydrophobicContact CG2-CD1 4.32Å; V269-Y275 HydrophobicContact CG2-CE1 3.56Å; V269-Y275 HydrophobicContact CG2-CE2 4.28Å; V269-Y275 WeakPolarHBondContact CG2-OH 3.47Å; V269-R298 PolarHBondContact O-NH2 2.66Å
270	F	93.7	Very high	93.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.			trans	-99.3	-58.7	-177.1	-165.5	-135	0	0	0	111.9	L209 D268 T274 V276 I294 A297 R298 F301	L209-F270 HydrophobicContact CD1-CD1 3.59Å; L209-F270 HydrophobicContact CD1-CE1 4.19Å; L209-F270 HydrophobicContact CD1-CG 4.47Å; D268-F270 PolarHBondContact O-N 3.11Å; F270-T274 PolarHBondContact N-O 3.27Å; F270-V276 HydrophobicContact CB-CB 3.75Å; F270-V276 HydrophobicContact CB-CG1 3.77Å; F270-V276 HydrophobicContact CD1-CB 4.24Å; F270-V276 HydrophobicContact CD2-CB 4.09Å; F270-V276 HydrophobicContact CD2-CG1 3.66Å; F270-V276 HydrophobicContact CE2-CG1 4.4Å; F270-V276 HydrophobicContact CG-CB 3.8Å; F270-V276 HydrophobicContact CG-CG1 3.83Å; F270-I294 HydrophobicContact CD2-CG2 4.19Å; F270-I294 HydrophobicContact CE2-CG2 4.46Å; F270-A297 HydrophobicContact CE2-CB 3.87Å; F270-A297 HydrophobicContact CZ-CB 3.89Å; F270-R298 WeakPolarHBondContact O-CB 3.47Å; F270-R298 WeakPolarHBondContact O-CD 3.49Å; F270-R298 WeakPolarHBondContact O-CG 3.35Å; F270-R298 PolarHBondContact O-NE 2.97Å; F270-F301 HydrophobicContact CD1-CB 4.23Å; F270-F301 HydrophobicContact CD1-CD1 4.47Å; F270-F301 HydrophobicContact CD1-CG 4.2Å; F270-F301 HydrophobicContact CE1-CB 3.68Å; F270-F301 AromaticContact CE1-CD1 3.61Å; F270-F301 HydrophobicContact CE1-CD1 3.61Å; F270-F301 AromaticContact CE1-CD2 3.36Å; F270-F301 HydrophobicContact CE1-CD2 3.36Å; F270-F301 HydrophobicContact CE1-CE1 4Å; F270-F301 AromaticContact CE1-CE2 3.78Å; F270-F301 HydrophobicContact CE1-CE2 3.78Å; F270-F301 AromaticContact CE1-CG 3.25Å; F270-F301 HydrophobicContact CE1-CG 3.25Å; F270-F301 HydrophobicContact CE1-CZ 4.07Å; F270-F301 HydrophobicContact CE2-CD2 4.49Å; F270-F301 HydrophobicContact CZ-CB 4.19Å; F270-F301 HydrophobicContact CZ-CD1 4.4Å; F270-F301 AromaticContact CZ-CD2 3.29Å; F270-F301 HydrophobicContact CZ-CD2 3.29Å; F270-F301 AromaticContact CZ-CE2 3.62Å; F270-F301 HydrophobicContact CZ-CE2 3.62Å; F270-F301 AromaticContact CZ-CG 3.72Å; F270-F301 HydrophobicContact CZ-CG 3.72Å; F270-F301 HydrophobicContact CZ-CZ 4.29Å
271	T	92.5	Very high	93.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	17%	0.17	C	C	.	.	S	Bend	trans	-118.5	-173.9	172.1	70.3	0	0	0	0	110.1	V269 N273 T274 F301 E302 E305	V269-T271 WeakPolarHBondContact CG1-O 3.28Å; T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 PolarHBondContact OG1-N 3.42Å; T271-N273 VanDerWaalsContact OG1-N 3.12Å; T271-T274 WeakPolarHBondContact CB-OG1 3.39Å; T271-T274 WeakPolarHBondContact CG2-OG1 3.11Å; T271-T274 PolarHBondContact N-O 3.35Å; T271-T274 PolarHBondContact N-OG1 3.05Å; T271-T274 PolarHBondContact OG1-N 2.92Å; T271-T274 PolarHBondContact OG1-OG1 2.85Å; T271-F301 HydrophobicContact CG2-CB 3.75Å; T271-E302 HydrophobicContact CG2-CG 4.19Å; T271-E305 WeakPolarHBondContact CB-OE1 3.39Å; T271-E305 VanDerWaalsContact OG1-CD 3.28Å; T271-E305 PolarHBondContact OG1-OE1 3.46Å; T271-E305 PolarHBondContact OG1-OE2 3.33Å
272	S	89.8	Confident	93.3	Very high	65 Å²	65	26.5 Å²	26.5	46%	0.455	15%	0.149	S	C	.	.	S	Bend	trans	-57.2	-29.6	169.5	44.6	0	0	0	0	113.2	R212	R212-S272 WeakPolarHBondContact CD-O 3.48Å; R212-S272 PolarHBondContact NH1-O 3.25Å
273	N	91.4	Very high	92.6	Very high	40 Å²	40	26.4 Å²	26.4	21%	0.214	16%	0.155	C	C	.	.	S	Bend	trans	-117.1	1.2	-171.4	-55.5	-63.2	0	0	0	114	R212 T271 E305	R212-N273 VanDerWaalsContact CB-C 3.4Å; R212-N273 VanDerWaalsContact CB-O 3.27Å; R212-N273 WeakPolarHBondContact CB-O 3.3Å; R212-N273 PolarHBondContact N-O 3.42Å; T271-N273 PolarHBondContact O-N 2.88Å; T271-N273 PolarHBondContact OG1-N 3.42Å; T271-N273 VanDerWaalsContact OG1-N 3.12Å; N273-E305 PolarHBondContact ND2-OE2 3.06Å
274	T	93.8	Very high	92	Very high	2 Å²	2	27 Å²	27	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.8	-176.8	61.7	0	0	0	0	114.3	L57 L209 F210 I218 F270 T271	L57-T274 HydrophobicContact CD2-CG2 3.45Å; L57-T274 VanDerWaalsContact CD2-CG2 3.45Å; L209-T274 HydrophobicContact CD1-CG2 4.34Å; L209-T274 HydrophobicContact CG-CG2 4.38Å; F210-T274 CarbonylContact O-C 3.59Å; F210-T274 WeakPolarHBondContact O-CA 3.18Å; F210-T274 VanDerWaalsContact O-CB 3.28Å; F210-T274 WeakPolarHBondContact O-CB 3.23Å; I218-T274 HydrophobicContact CD1-CG2 3.93Å; F270-T274 PolarHBondContact N-O 3.27Å; T271-T274 WeakPolarHBondContact CB-OG1 3.39Å; T271-T274 WeakPolarHBondContact CG2-OG1 3.11Å; T271-T274 PolarHBondContact N-O 3.35Å; T271-T274 PolarHBondContact N-OG1 3.05Å; T271-T274 PolarHBondContact OG1-N 2.92Å; T271-T274 PolarHBondContact OG1-OG1 2.85Å
275	Y	96.3	Very high	91.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.9	161.4	-87.7	-91.6	0	0	0	109.4	F210 R212 F215 F253 Q254 I267 D268 V269	F210-Y275 PolarHBondContact N-O 3.35Å; F210-Y275 PolarHBondContact O-N 3.49Å; R212-Y275 HydrophobicContact CB-CD2 4.26Å; R212-Y275 HydrophobicContact CB-CE2 4.48Å; R212-Y275 HydrophobicContact CG-CD2 3.96Å; R212-Y275 HydrophobicContact CG-CE2 3.69Å; F215-Y275 HydrophobicContact CD2-CD2 4.22Å; F215-Y275 HydrophobicContact CE2-CD1 4.23Å; F215-Y275 AromaticContact CE2-CD2 3.44Å; F215-Y275 HydrophobicContact CE2-CD2 3.44Å; F215-Y275 VanDerWaalsContact CE2-CD2 3.44Å; F215-Y275 AromaticContact CE2-CE2 3.88Å; F215-Y275 HydrophobicContact CE2-CE2 3.88Å; F215-Y275 AromaticContact CE2-CG 3.64Å; F215-Y275 HydrophobicContact CE2-CG 3.64Å; F215-Y275 HydrophobicContact CZ-CD1 4.25Å; F215-Y275 HydrophobicContact CZ-CD2 4.15Å; F215-Y275 AromaticContact CZ-CG 3.86Å; F215-Y275 HydrophobicContact CZ-CG 3.86Å; F253-Y275 AromaticContact CD1-CE1 3.96Å; F253-Y275 HydrophobicContact CD1-CE1 3.96Å; F253-Y275 HydrophobicContact CE1-CD1 4.42Å; F253-Y275 AromaticContact CE1-CE1 3.85Å; F253-Y275 HydrophobicContact CE1-CE1 3.85Å; F253-Y275 PolarHBondContact O-OH 3.33Å; Q254-Y275 WeakPolarHBondContact O-CE1 3.43Å; I267-Y275 HydrophobicContact CG2-CD1 4Å; D268-Y275 VanDerWaalsContact C-CD1 3.41Å; D268-Y275 WeakPolarHBondContact O-CA 3.33Å; D268-Y275 VanDerWaalsContact O-CD1 3.28Å; D268-Y275 WeakPolarHBondContact O-CD1 3.35Å; V269-Y275 HydrophobicContact CB-CE1 4.37Å; V269-Y275 HydrophobicContact CG2-CD1 4.32Å; V269-Y275 HydrophobicContact CG2-CE1 3.56Å; V269-Y275 HydrophobicContact CG2-CE2 4.28Å; V269-Y275 WeakPolarHBondContact CG2-OH 3.47Å
276	V	96.7	Very high	91.1	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.5	169.5	67.8	0	0	0	0	109.3	F198 V207 L208 L209 I267 D268 F270 V278 I294	F198-V276 HydrophobicContact CE1-CG2 4.42Å; V207-V276 HydrophobicContact CG1-CG2 3.72Å; L208-V276 CarbonylContact O-C 3.59Å; L208-V276 WeakPolarHBondContact O-CA 3.44Å; L209-V276 HydrophobicContact CD1-CB 4.48Å; I267-V276 WeakPolarHBondContact CA-O 3.47Å; D268-V276 PolarHBondContact N-O 2.69Å; D268-V276 PolarHBondContact O-N 3.04Å; F270-V276 HydrophobicContact CB-CB 3.75Å; F270-V276 HydrophobicContact CB-CG1 3.77Å; F270-V276 HydrophobicContact CD1-CB 4.24Å; F270-V276 HydrophobicContact CD2-CB 4.09Å; F270-V276 HydrophobicContact CD2-CG1 3.66Å; F270-V276 HydrophobicContact CE2-CG1 4.4Å; F270-V276 HydrophobicContact CG-CB 3.8Å; F270-V276 HydrophobicContact CG-CG1 3.83Å; V276-V278 HydrophobicContact CG2-CG2 4Å; V276-I294 HydrophobicContact CG1-CG2 3.97Å
277	M	97.2	Very high	90.6	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.094	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	164.9	-179.1	176.2	-179.8	0	0	108.9	V207 L208 F210 I235 A265 F266 I267 I279	V207-M277 CarbonylContact C-O 3.56Å; V207-M277 VanDerWaalsContact CA-O 3.32Å; V207-M277 WeakPolarHBondContact CA-O 3.41Å; L208-M277 HydrophobicContact CB-CB 4.2Å; L208-M277 HydrophobicContact CD1-SD 4.12Å; L208-M277 PolarHBondContact N-O 3.47Å; L208-M277 PolarHBondContact O-N 3.43Å; F210-M277 HydrophobicContact CE2-CB 3.71Å; F210-M277 HydrophobicContact CZ-CB 4.48Å; I235-M277 HydrophobicContact CD1-CE 4.22Å; I235-M277 HydrophobicContact CD1-SD 4.1Å; I235-M277 HydrophobicContact CG2-SD 3.78Å; A265-M277 HydrophobicContact CB-CE 3.84Å; F266-M277 CarbonylContact O-C 3.55Å; F266-M277 WeakPolarHBondContact O-CA 3.47Å; I267-M277 HydrophobicContact CD1-CG 4.42Å; I267-M277 HydrophobicContact CD1-SD 4.15Å; I267-M277 HydrophobicContact CG1-CB 4.01Å; I267-M277 HydrophobicContact CG1-CG 3.76Å; I267-M277 HydrophobicContact CG1-SD 4.13Å; M277-I279 HydrophobicContact CE-CD1 3.95Å; M277-I279 HydrophobicContact CE-CG1 4.04Å; M277-I279 HydrophobicContact CG-CG1 4.45Å
278	V	96.2	Very high	90.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.6	177.9	-177.8	0	0	0	0	108.5	F198 I202 A204 V207 A265 F266 V276 M280 T290 I294	F198-V278 HydrophobicContact CE1-CG2 4.1Å; F198-V278 HydrophobicContact CZ-CG2 4.38Å; I202-V278 HydrophobicContact CD1-CG1 4.38Å; I202-V278 HydrophobicContact CG2-CG1 4.48Å; A204-V278 HydrophobicContact CB-CG1 3.74Å; V207-V278 HydrophobicContact CG1-CG2 4.41Å; V207-V278 HydrophobicContact CG2-CG1 4.42Å; V207-V278 HydrophobicContact CG2-CG2 4.48Å; A265-V278 CarbonylContact C-O 3.56Å; A265-V278 VanDerWaalsContact CA-O 3.32Å; A265-V278 WeakPolarHBondContact CA-O 3.08Å; F266-V278 PolarHBondContact N-O 2.89Å; F266-V278 PolarHBondContact O-N 3.42Å; V276-V278 HydrophobicContact CG2-CG2 4Å; V278-M280 HydrophobicContact CG1-CG 4.13Å; V278-M280 HydrophobicContact CG1-SD 3.85Å; V278-T290 HydrophobicContact CG1-CG2 4.31Å; V278-I294 HydrophobicContact CB-CD1 4.46Å; V278-I294 HydrophobicContact CG2-CD1 3.93Å; V278-I294 HydrophobicContact CG2-CG1 4.1Å
279	I	94.9	Very high	89.9	Confident	27 Å²	27	36.1 Å²	36.1	14%	0.138	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128	177.4	-54.6	179.6	0	0	0	108.8	D205 E206 F263 A264 A265 M277	D205-I279 PolarHBondContact N-O 2.72Å; E206-I279 HydrophobicContact CB-CB 4.2Å; E206-I279 HydrophobicContact CB-CD1 4.2Å; E206-I279 HydrophobicContact CB-CG1 4.48Å; E206-I279 HydrophobicContact CG-CD1 4.28Å; E206-I279 PolarHBondContact N-O 2.96Å; E206-I279 PolarHBondContact O-N 2.9Å; F263-I279 HydrophobicContact CB-CG2 4.36Å; F263-I279 HydrophobicContact CD2-CG2 4.14Å; A264-I279 WeakPolarHBondContact O-CA 2.97Å; A265-I279 HydrophobicContact CB-CG1 4.39Å; M277-I279 HydrophobicContact CE-CD1 3.95Å; M277-I279 HydrophobicContact CE-CG1 4.04Å; M277-I279 HydrophobicContact CG-CG1 4.45Å
280	M	92.4	Very high	89.6	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127	-177.9	-54.7	-70.2	-57	0	0	109.2	I202 E203 A204 F263 A264 F266 V278 I285	I202-M280 WeakPolarHBondContact O-CE 3.49Å; E203-M280 WeakPolarHBondContact O-CE 3.42Å; A204-M280 WeakPolarHBondContact CA-SD 3.24Å; A204-M280 HydrophobicContact CB-SD 3.66Å; F263-M280 CarbonylContact C-O 3.44Å; F263-M280 VanDerWaalsContact CA-O 3.27Å; F263-M280 WeakPolarHBondContact CA-O 3.48Å; A264-M280 PolarHBondContact N-O 3.22Å; A264-M280 PolarHBondContact O-N 3.12Å; F266-M280 HydrophobicContact CE2-CG 4.3Å; V278-M280 HydrophobicContact CG1-CG 4.13Å; V278-M280 HydrophobicContact CG1-SD 3.85Å; M280-I285 HydrophobicContact CE-CD1 3.34Å; M280-I285 HydrophobicContact CE-CG2 4.46Å
281	S	89.6	Confident	89.4	Confident	60 Å²	60	38.5 Å²	38.5	42%	0.42	25%	0.248	S	C	.	.			trans	-92.1	-20.1	171.4	56.2	0	0	0	0	113.2	D205 P283	D205-S281 PolarHBondContact OD1-OG 2.96Å; D205-S281 WeakPolarHBondContact OD2-CA 3.05Å; D205-S281 WeakPolarHBondContact OD2-CB 3.21Å; D205-S281 PolarHBondContact OD2-N 3.45Å; D205-S281 PolarHBondContact OD2-OG 3.23Å; S281-P283 WeakPolarHBondContact O-CD 3.28Å
282	D	83	Confident	89.4	Confident	65 Å²	65	42.9 Å²	42.9	35%	0.348	27%	0.27	S	S	.	.			trans	-73.9	111.9	-179.4	-170.9	-12.1	0	0	0	111.3	S284 I285	D282-S284 VanDerWaalsContact C-N 3.25Å; D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 WeakPolarHBondContact OD1-CA 3.39Å; D282-S284 WeakPolarHBondContact OD1-CB 3.32Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 2.84Å; D282-S284 PolarHBondContact OD2-OG 3.27Å; D282-I285 HydrophobicContact CB-CD1 3.92Å; D282-I285 HydrophobicContact CB-CG1 4.18Å
283	P	75	Confident	89.5	Confident	116 Å²	116	42.6 Å²	42.6	75%	0.753	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.5	179.2	33.9	-36.2	0	0	0	113	S281 I285	S281-P283 WeakPolarHBondContact O-CD 3.28Å; P283-I285 VanDerWaalsContact C-N 3.28Å; P283-I285 PolarHBondContact O-N 3.41Å
284	S	80.9	Confident	89.5	Confident	88 Å²	88	40.7 Å²	40.7	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.7	-179.1	77.2	0	0	0	0	112.8	D282 P286	D282-S284 VanDerWaalsContact C-N 3.25Å; D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 WeakPolarHBondContact OD1-CA 3.39Å; D282-S284 WeakPolarHBondContact OD1-CB 3.32Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 2.84Å; D282-S284 PolarHBondContact OD2-OG 3.27Å; S284-P286 VanDerWaalsContact O-CD 3.28Å; S284-P286 WeakPolarHBondContact O-CD 3.48Å
285	I	81.7	Confident	89.4	Confident	33 Å²	33	49.1 Å²	49.1	17%	0.169	29%	0.285	C	S	.	.	S	Bend	trans	-79.8	116.3	-179	-58.8	174.1	0	0	0	109.7	M280 D282 P283 A289	M280-I285 HydrophobicContact CE-CD1 3.34Å; M280-I285 HydrophobicContact CE-CG2 4.46Å; D282-I285 HydrophobicContact CB-CD1 3.92Å; D282-I285 HydrophobicContact CB-CG1 4.18Å; P283-I285 VanDerWaalsContact C-N 3.28Å; P283-I285 PolarHBondContact O-N 3.41Å; I285-A289 HydrophobicContact CG2-CB 4.32Å
286	P	85.9	Confident	89.2	Confident	84 Å²	84	53.5 Å²	53.5	55%	0.545	31%	0.309	S	S	.	.			trans	-66.2	142.4	179.2	-20.3	33.5	0	0	0	111.9	S284 A288 A289 T290	S284-P286 VanDerWaalsContact O-CD 3.28Å; S284-P286 WeakPolarHBondContact O-CD 3.48Å; P286-A288 PolarHBondContact O-N 2.79Å; P286-A289 WeakPolarHBondContact O-CB 3.43Å; P286-A289 PolarHBondContact O-N 2.89Å; P286-T290 PolarHBondContact O-N 3.04Å
287	S	85.4	Confident	89	Confident	30 Å²	30	54.2 Å²	54.2	21%	0.21	31%	0.314	C	S	.	.	H	α-helix	trans	-50.3	-37.8	175.5	-59.1	0	0	0	0	112.3	E257 R259 A289 T290 L291	E257-S287 PolarHBondContact OE1-OG 3.49Å; R259-S287 PolarHBondContact NE-OG 3.47Å; R259-S287 PolarHBondContact NH2-OG 3.12Å; S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 2.81Å; S287-T290 PolarHBondContact O-N 2.95Å; S287-L291 WeakPolarHBondContact O-CB 3.39Å; S287-L291 VanDerWaalsContact O-CG 3.3Å; S287-L291 WeakPolarHBondContact O-CG 3.46Å; S287-L291 PolarHBondContact O-N 3.11Å
288	A	86.9	Confident	88.8	Confident	59 Å²	59	56.3 Å²	56.3	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-39.5	-179.8	0	0	0	0	0	112.5	P286 I292	P286-A288 PolarHBondContact O-N 2.79Å; A288-I292 WeakPolarHBondContact O-CB 3.32Å; A288-I292 WeakPolarHBondContact O-CD1 3.19Å; A288-I292 WeakPolarHBondContact O-CG1 3.3Å; A288-I292 PolarHBondContact O-N 2.94Å
289	A	89.6	Confident	88.4	Confident	37 Å²	37	63.2 Å²	63.2	31%	0.306	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-47.5	178.3	0	0	0	0	0	110.6	I285 P286 S287 L291 I292 N293	I285-A289 HydrophobicContact CG2-CB 4.32Å; P286-A289 WeakPolarHBondContact O-CB 3.43Å; P286-A289 PolarHBondContact O-N 2.89Å; S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 2.81Å; A289-L291 PolarHBondContact O-N 3.02Å; A289-I292 PolarHBondContact O-N 2.85Å; A289-N293 WeakPolarHBondContact O-CB 3.49Å; A289-N293 VanDerWaalsContact O-CG 3.27Å; A289-N293 PolarHBondContact O-N 3.34Å; A289-N293 PolarHBondContact O-ND2 2.94Å
290	T	89.1	Confident	88.1	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-47.1	177.6	-49.6	0	0	0	0	111.8	I202 F266 V278 P286 S287 I292 N293 I294	I202-T290 HydrophobicContact CD1-CG2 3.75Å; I202-T290 HydrophobicContact CG1-CG2 4.42Å; F266-T290 HydrophobicContact CD2-CG2 3.77Å; F266-T290 HydrophobicContact CE2-CG2 3.89Å; F266-T290 HydrophobicContact CG-CG2 4.27Å; F266-T290 HydrophobicContact CZ-CG2 4.47Å; V278-T290 HydrophobicContact CG1-CG2 4.31Å; P286-T290 PolarHBondContact O-N 3.04Å; S287-T290 PolarHBondContact O-N 2.95Å; T290-I292 PolarHBondContact O-N 3.32Å; T290-N293 PolarHBondContact O-N 3.24Å; T290-I294 HydrophobicContact CG2-CD1 4.08Å; T290-I294 WeakPolarHBondContact O-CG1 3.11Å; T290-I294 PolarHBondContact O-N 3.44Å
291	L	89.3	Confident	87.9	Confident	71 Å²	71	66.9 Å²	66.9	37%	0.372	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-38.6	179.8	-68.4	172.9	0	0	0	112.6	F266 S287 A289 R295	F266-L291 HydrophobicContact CD1-CD2 4.22Å; S287-L291 WeakPolarHBondContact O-CB 3.39Å; S287-L291 VanDerWaalsContact O-CG 3.3Å; S287-L291 WeakPolarHBondContact O-CG 3.46Å; S287-L291 PolarHBondContact O-N 3.11Å; A289-L291 PolarHBondContact O-N 3.02Å; L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.47Å
292	I	91.7	Very high	87.7	Confident	96 Å²	96	66.9 Å²	66.9	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-43.2	174.2	-71.1	165.6	0	0	0	110.3	A288 A289 T290 R295 N296	A288-I292 WeakPolarHBondContact O-CB 3.32Å; A288-I292 WeakPolarHBondContact O-CD1 3.19Å; A288-I292 WeakPolarHBondContact O-CG1 3.3Å; A288-I292 PolarHBondContact O-N 2.94Å; A289-I292 PolarHBondContact O-N 2.85Å; T290-I292 PolarHBondContact O-N 3.32Å; I292-R295 PolarHBondContact O-N 3.36Å; I292-N296 WeakPolarHBondContact O-CB 3.3Å; I292-N296 VanDerWaalsContact O-CG 3.26Å; I292-N296 PolarHBondContact O-N 2.91Å; I292-N296 PolarHBondContact O-ND2 3.46Å
293	N	91.9	Very high	87.8	Confident	58 Å²	58	70.8 Å²	70.8	31%	0.31	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-44.5	178.7	-73	-16.3	0	0	0	112.1	I202 A289 T290 R295 N296 A297	I202-N293 HydrophobicContact CD1-CB 3.63Å; I202-N293 HydrophobicContact CG1-CB 3.97Å; A289-N293 WeakPolarHBondContact O-CB 3.49Å; A289-N293 VanDerWaalsContact O-CG 3.27Å; A289-N293 PolarHBondContact O-N 3.34Å; A289-N293 PolarHBondContact O-ND2 2.94Å; T290-N293 PolarHBondContact O-N 3.24Å; N293-R295 VanDerWaalsContact C-N 3.32Å; N293-R295 PolarHBondContact O-N 2.95Å; N293-N296 PolarHBondContact O-N 3.29Å; N293-A297 WeakPolarHBondContact O-CB 3.31Å; N293-A297 PolarHBondContact O-N 3.47Å
294	I	92	Very high	87.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-47.5	173	-69.5	166.3	0	0	0	110.3	F198 I202 F266 F270 V276 V278 T290 N296 A297 R298	F198-I294 HydrophobicContact CZ-CG1 4.05Å; I202-I294 HydrophobicContact CD1-CG1 4.25Å; F266-I294 HydrophobicContact CB-CD1 4.26Å; F270-I294 HydrophobicContact CD2-CG2 4.19Å; F270-I294 HydrophobicContact CE2-CG2 4.46Å; V276-I294 HydrophobicContact CG1-CG2 3.97Å; V278-I294 HydrophobicContact CB-CD1 4.46Å; V278-I294 HydrophobicContact CG2-CD1 3.93Å; V278-I294 HydrophobicContact CG2-CG1 4.1Å; T290-I294 HydrophobicContact CG2-CD1 4.08Å; T290-I294 WeakPolarHBondContact O-CG1 3.11Å; T290-I294 PolarHBondContact O-N 3.44Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 2.96Å; I294-A297 PolarHBondContact O-N 3.36Å; I294-R298 PolarHBondContact O-N 3.23Å
295	R	91.1	Very high	87.5	Confident	180 Å²	180	64.9 Å²	64.9	68%	0.679	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-35.6	179.9	-172.3	178.6	-179.8	178.3	0.5	113	L291 I292 N293 R298	L291-R295 WeakPolarHBondContact O-CB 3.41Å; L291-R295 PolarHBondContact O-N 3.47Å; I292-R295 PolarHBondContact O-N 3.36Å; N293-R295 VanDerWaalsContact C-N 3.32Å; N293-R295 PolarHBondContact O-N 2.95Å; R295-R298 WeakPolarHBondContact O-CB 3.45Å
296	N	91.8	Very high	86.8	Confident	94 Å²	94	72.3 Å²	72.3	50%	0.503	35%	0.354	S	S	.	.	H	α-helix	trans	-71.2	-42.1	177.1	-73.6	-23.2	0	0	0	111.3	I292 N293 I294 R298 K299	I292-N296 WeakPolarHBondContact O-CB 3.3Å; I292-N296 VanDerWaalsContact O-CG 3.26Å; I292-N296 PolarHBondContact O-N 2.91Å; I292-N296 PolarHBondContact O-ND2 3.46Å; N293-N296 PolarHBondContact O-N 3.29Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 2.96Å; N296-R298 VanDerWaalsContact C-N 3.31Å; N296-R298 PolarHBondContact O-N 3.35Å; N296-K299 PolarHBondContact O-N 3.37Å
297	A	92.8	Very high	85.2	Confident	14 Å²	14	72.9 Å²	72.9	12%	0.116	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-33.1	178	0	0	0	0	0	112.7	F198 F270 N293 I294 K299 H300 F301	F198-A297 HydrophobicContact CD2-CB 3.45Å; F198-A297 VanDerWaalsContact CD2-CB 3.45Å; F198-A297 HydrophobicContact CE2-CB 3.42Å; F198-A297 VanDerWaalsContact CE2-CB 3.42Å; F198-A297 HydrophobicContact CG-CB 4.36Å; F198-A297 HydrophobicContact CZ-CB 4.31Å; F270-A297 HydrophobicContact CE2-CB 3.87Å; F270-A297 HydrophobicContact CZ-CB 3.89Å; N293-A297 WeakPolarHBondContact O-CB 3.31Å; N293-A297 PolarHBondContact O-N 3.47Å; I294-A297 PolarHBondContact O-N 3.36Å; A297-K299 PolarHBondContact O-N 3.27Å; A297-K299 VanDerWaalsContact O-N 3.12Å; A297-H300 WeakPolarHBondContact O-CA 3.35Å; A297-H300 WeakPolarHBondContact O-CB 3.47Å; A297-H300 PolarHBondContact O-N 3.46Å; A297-F301 WeakPolarHBondContact O-CD2 3.16Å; A297-F301 PolarHBondContact O-N 3.34Å
298	R	92.7	Very high	83.5	Confident	63 Å²	63	74.2 Å²	74.2	24%	0.238	36%	0.36	C	S	.	.	H	α-helix	trans	-45.3	-46.3	175.7	169.2	171	-46.4	153.2	9.5	113.1	D268 V269 F270 I294 R295 N296 H300 F301 E302	D268-R298 IonicContact OD2-NH2 3.18Å; D268-R298 PolarHBondContact OD2-NH2 3.01Å; V269-R298 PolarHBondContact O-NH2 2.66Å; F270-R298 WeakPolarHBondContact O-CB 3.47Å; F270-R298 WeakPolarHBondContact O-CD 3.49Å; F270-R298 WeakPolarHBondContact O-CG 3.35Å; F270-R298 PolarHBondContact O-NE 2.97Å; I294-R298 PolarHBondContact O-N 3.23Å; R295-R298 WeakPolarHBondContact O-CB 3.45Å; N296-R298 VanDerWaalsContact C-N 3.31Å; N296-R298 PolarHBondContact O-N 3.35Å; R298-H300 PolarHBondContact O-N 2.8Å; R298-F301 PolarHBondContact O-N 2.7Å; R298-E302 HydrophobicContact CG-CG 4.31Å; R298-E302 WeakPolarHBondContact CG-OE1 3.49Å; R298-E302 WeakPolarHBondContact O-CB 3.38Å; R298-E302 WeakPolarHBondContact O-CG 3.47Å; R298-E302 PolarHBondContact O-N 3.47Å
299	K	88.6	Confident	81.3	Confident	145 Å²	145	73 Å²	73	63%	0.63	35%	0.354	S	S	*	.	H	α-helix	trans	-63.2	-30.1	-179.4	-65.4	178.8	-177.4	173	0	113.2	N296 A297 K303	N296-K299 PolarHBondContact O-N 3.37Å; A297-K299 PolarHBondContact O-N 3.27Å; A297-K299 VanDerWaalsContact O-N 3.12Å; K299-K303 WeakPolarHBondContact O-CG 3.38Å
300	H	88.4	Confident	78.6	Confident	101 Å²	101	76.1 Å²	76.1	47%	0.468	37%	0.371	S	S	.	.	H	α-helix	trans	-75.4	-45.4	178.1	-171.5	81.8	0	0	0	110.6	A297 R298 K303 L304	A297-H300 WeakPolarHBondContact O-CA 3.35Å; A297-H300 WeakPolarHBondContact O-CB 3.47Å; A297-H300 PolarHBondContact O-N 3.46Å; R298-H300 PolarHBondContact O-N 2.8Å; H300-K303 WeakPolarHBondContact O-CB 3.37Å; H300-K303 PolarHBondContact O-N 2.69Å; H300-L304 PolarHBondContact O-N 2.77Å
301	F	87.8	Confident	76.1	Confident	8 Å²	8	85.7 Å²	85.7	4%	0.035	41%	0.413	C	S	.	.	H	α-helix	trans	-71.9	-33.5	-179.8	-76.4	-99.9	0	0	0	113.5	L191 N194 L195 F198 F270 T271 A297 R298 K303 L304 E305	L191-F301 HydrophobicContact CD1-CD1 4.08Å; L191-F301 HydrophobicContact CD1-CE1 4.01Å; N194-F301 HydrophobicContact CB-CE1 4.12Å; N194-F301 HydrophobicContact CB-CZ 4.01Å; L195-F301 HydrophobicContact CD1-CE1 4.43Å; L195-F301 HydrophobicContact CD1-CZ 4.34Å; F198-F301 HydrophobicContact CB-CE2 4.2Å; F198-F301 HydrophobicContact CB-CZ 4.28Å; F270-F301 HydrophobicContact CD1-CB 4.23Å; F270-F301 HydrophobicContact CD1-CD1 4.47Å; F270-F301 HydrophobicContact CD1-CG 4.2Å; F270-F301 HydrophobicContact CE1-CB 3.68Å; F270-F301 AromaticContact CE1-CD1 3.61Å; F270-F301 HydrophobicContact CE1-CD1 3.61Å; F270-F301 AromaticContact CE1-CD2 3.36Å; F270-F301 HydrophobicContact CE1-CD2 3.36Å; F270-F301 HydrophobicContact CE1-CE1 4Å; F270-F301 AromaticContact CE1-CE2 3.78Å; F270-F301 HydrophobicContact CE1-CE2 3.78Å; F270-F301 AromaticContact CE1-CG 3.25Å; F270-F301 HydrophobicContact CE1-CG 3.25Å; F270-F301 HydrophobicContact CE1-CZ 4.07Å; F270-F301 HydrophobicContact CE2-CD2 4.49Å; F270-F301 HydrophobicContact CZ-CB 4.19Å; F270-F301 HydrophobicContact CZ-CD1 4.4Å; F270-F301 AromaticContact CZ-CD2 3.29Å; F270-F301 HydrophobicContact CZ-CD2 3.29Å; F270-F301 AromaticContact CZ-CE2 3.62Å; F270-F301 HydrophobicContact CZ-CE2 3.62Å; F270-F301 AromaticContact CZ-CG 3.72Å; F270-F301 HydrophobicContact CZ-CG 3.72Å; F270-F301 HydrophobicContact CZ-CZ 4.29Å; T271-F301 HydrophobicContact CG2-CB 3.75Å; A297-F301 WeakPolarHBondContact O-CD2 3.16Å; A297-F301 PolarHBondContact O-N 3.34Å; R298-F301 PolarHBondContact O-N 2.7Å; F301-K303 PolarHBondContact O-N 2.82Å; F301-L304 HydrophobicContact CD1-CD1 4.09Å; F301-L304 HydrophobicContact CE1-CD1 4.49Å; F301-L304 HydrophobicContact CG-CD1 4.39Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.36Å; F301-L304 VanDerWaalsContact O-N 3.11Å; F301-E305 PolarHBondContact O-N 2.93Å
302	E	87.3	Confident	73.4	Confident	61 Å²	61	90.2 Å²	90.2	29%	0.285	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-30	171.5	-80.5	-178.6	-173.8	0	0	113	T271 R298 R306	T271-E302 HydrophobicContact CG2-CG 4.19Å; R298-E302 HydrophobicContact CG-CG 4.31Å; R298-E302 WeakPolarHBondContact CG-OE1 3.49Å; R298-E302 WeakPolarHBondContact O-CB 3.38Å; R298-E302 WeakPolarHBondContact O-CG 3.47Å; R298-E302 PolarHBondContact O-N 3.47Å; E302-R306 WeakPolarHBondContact O-CG 3.37Å
303	K	83.3	Confident	70.6	Confident	146 Å²	146	90.2 Å²	90.2	64%	0.635	44%	0.44	S	S	*	.	H	α-helix	trans	-70	-41.4	174.9	-70.9	174.4	-176.8	-178.3	0	110.9	K299 H300 F301 E305 R306 V307	K299-K303 WeakPolarHBondContact O-CG 3.38Å; H300-K303 WeakPolarHBondContact O-CB 3.37Å; H300-K303 PolarHBondContact O-N 2.69Å; F301-K303 PolarHBondContact O-N 2.82Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 3.43Å; K303-R306 WeakPolarHBondContact O-CB 3.27Å; K303-R306 PolarHBondContact O-N 3.36Å; K303-V307 WeakPolarHBondContact O-CG2 3.37Å
304	L	77.1	Confident	67.7	Low	45 Å²	45	95.1 Å²	95.1	24%	0.236	47%	0.466	C	S	.	.	H	α-helix	trans	-61.1	-39.3	-178.5	-65.9	169.3	0	0	0	112.3	N194 H300 F301 R306 V307	N194-L304 HydrophobicContact CB-CD1 4.11Å; N194-L304 WeakPolarHBondContact ND2-CD1 3.48Å; H300-L304 PolarHBondContact O-N 2.77Å; F301-L304 HydrophobicContact CD1-CD1 4.09Å; F301-L304 HydrophobicContact CE1-CD1 4.49Å; F301-L304 HydrophobicContact CG-CD1 4.39Å; F301-L304 WeakPolarHBondContact O-CB 3.49Å; F301-L304 PolarHBondContact O-N 3.36Å; F301-L304 VanDerWaalsContact O-N 3.11Å; L304-R306 PolarHBondContact O-N 2.97Å; L304-V307 PolarHBondContact O-N 3.44Å
305	E	72.4	Confident	64.8	Low	35 Å²	35	103.1 Å²	103.1	16%	0.164	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.7	176	-68.4	-175.9	-176.2	0	0	113.4	T271 N273 F301 K303	T271-E305 WeakPolarHBondContact CB-OE1 3.39Å; T271-E305 VanDerWaalsContact OG1-CD 3.28Å; T271-E305 PolarHBondContact OG1-OE1 3.46Å; T271-E305 PolarHBondContact OG1-OE2 3.33Å; N273-E305 PolarHBondContact ND2-OE2 3.06Å; F301-E305 PolarHBondContact O-N 2.93Å; K303-E305 VanDerWaalsContact C-N 3.33Å; K303-E305 PolarHBondContact O-N 3.43Å
306	R	67.5	Low	61.8	Low	190 Å²	190	102.4 Å²	102.4	72%	0.717	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.9	-178	-66	178.2	-173.6	-167	4.3	114.3	E302 K303 L304 D308	E302-R306 WeakPolarHBondContact O-CG 3.37Å; K303-R306 WeakPolarHBondContact O-CB 3.27Å; K303-R306 PolarHBondContact O-N 3.36Å; L304-R306 PolarHBondContact O-N 2.97Å; R306-D308 VanDerWaalsContact C-N 3.32Å; R306-D308 PolarHBondContact O-N 2.78Å
307	V	53.7	Low	59	Low	95 Å²	95	109.1 Å²	109.1	58%	0.576	53%	0.527	S	S	*	.			trans	-77.6	-1.8	-162.4	-166.8	0	0	0	0	115.3	K303 L304 G309	K303-V307 WeakPolarHBondContact O-CG2 3.37Å; L304-V307 PolarHBondContact O-N 3.44Å; V307-G309 PolarHBondContact O-N 3.41Å
308	D	48.3	Very low	56.1	Low	58 Å²	58	116.8 Å²	116.8	31%	0.31	56%	0.563	S	S	.	*			trans	-80	31.7	171.9	-67.8	-37.2	0	0	0	113.7	N59 R306	N59-D308 PolarHBondContact ND2-OD2 3.02Å; R306-D308 VanDerWaalsContact C-N 3.32Å; R306-D308 PolarHBondContact O-N 2.78Å
309	G	41.1	Very low	53.3	Low	35 Å²	35	129 Å²	129	36%	0.361	61%	0.609	S	S	.	*	S	Bend	trans	-89.5	145.9	161	0	0	0	0	0	110.2	V307 K311	V307-G309 PolarHBondContact O-N 3.41Å; G309-K311 PolarHBondContact O-N 3.31Å
310	P	33	Very low	51.6	Low	101 Å²	101	128.2 Å²	128.2	66%	0.656	61%	0.607	S	S	*	*			trans	-56.1	128.6	-177.2	22.4	-31.2	0	0	0	110.3	H312	P310-H312 PolarHBondContact O-N 3.33Å
311	K	36.4	Very low	49.7	Very low	204 Å²	204	129.6 Å²	129.6	89%	0.887	62%	0.615	S	S	*	*			trans	-55.1	105.5	171.1	-72.8	-179.4	178	177	0	107.6	G309 S313	G309-K311 PolarHBondContact O-N 3.31Å; K311-S313 VanDerWaalsContact C-N 3.33Å; K311-S313 PolarHBondContact O-N 3.15Å
312	H	32.9	Very low	47.5	Very low	166 Å²	166	136.3 Å²	136.3	77%	0.769	65%	0.647	S	S	*	*			trans	-62.7	101.1	165.7	-90.6	-72.9	0	0	0	107.5	P310 L314	P310-H312 PolarHBondContact O-N 3.33Å; H312-L314 VanDerWaalsContact C-N 3.26Å; H312-L314 PolarHBondContact O-N 3.38Å
313	S	31.9	Very low	45.2	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	67%	0.668	S	S	*	*			trans	-61.8	96.6	156.5	51.3	0	0	0	0	106.7	K311 H315	K311-S313 VanDerWaalsContact C-N 3.33Å; K311-S313 PolarHBondContact O-N 3.15Å; S313-H315 PolarHBondContact O-N 3.41Å
314	L	31.5	Very low	42.8	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	67%	0.67	S	S	*	*			trans	-63.8	81.2	165.1	-87.3	147.9	0	0	0	107.9	H312 M316	H312-L314 VanDerWaalsContact C-N 3.26Å; H312-L314 PolarHBondContact O-N 3.38Å; L314-M316 VanDerWaalsContact C-N 3.28Å; L314-M316 PolarHBondContact O-N 3.08Å; L314-M316 VanDerWaalsContact O-N 3.16Å
315	H	31	Very low	40.5	Very low	168 Å²	168	146.8 Å²	146.8	78%	0.778	70%	0.699	S	S	*	*			trans	-74.6	93.3	154.5	-87.9	48.8	0	0	0	106.5	S313 R317	S313-H315 PolarHBondContact O-N 3.41Å; H315-R317 VanDerWaalsContact C-N 3.3Å; H315-R317 PolarHBondContact O-N 3.22Å
316	M	29.5	Very low	38.3	Very low	164 Å²	164	154.8 Å²	154.8	81%	0.808	74%	0.738	S	S	*	*			trans	-61.5	94.6	166.6	-166.6	-177.7	-95.3	0	0	107.3	L314 M318	L314-M316 VanDerWaalsContact C-N 3.28Å; L314-M316 PolarHBondContact O-N 3.08Å; L314-M316 VanDerWaalsContact O-N 3.16Å; M316-M318 PolarHBondContact O-N 3.21Å
317	R	32	Very low	36	Very low	236 Å²	236	152.1 Å²	152.1	89%	0.891	74%	0.739	S	S	*	*			trans	-73.6	103.7	164	-87.4	-175.5	173.4	178.2	-1.4	106.9	H315 R319	H315-R317 VanDerWaalsContact C-N 3.3Å; H315-R317 PolarHBondContact O-N 3.22Å; R317-R319 PolarHBondContact O-N 2.93Å
318	M	31.7	Very low	34.5	Very low	174 Å²	174	156.8 Å²	156.8	86%	0.857	75%	0.753	S	S	*	*			trans	-62.5	116	159.9	-78.9	-179.5	167.1	0	0	108.6	M316	M316-M318 PolarHBondContact O-N 3.21Å
319	R	35.1	Very low	33.3	Very low	319 Å²	319	165.8 Å²	165.8	100%	1.204	79%	0.793	S	S	*	*			trans	-141.5	0	146.4	-81.9	-165.2	178.9	-174.2	-1.1	107.3	R317	R317-R319 PolarHBondContact O-N 2.93Å

Retrieved 319 of 319 residues in 97.5 ms (Link to these results)

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