A0A077Z0X0_TRITR Loading...

SH2 and SH3 2 and SH3 9 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0X0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.3	Confident	93.5	Very high	26 Å²	26	54 Å²	54	13%	0.128	27%	0.267	C	S	.	.				0	152.4	0	-70.6	-34.1	-58.7	0	0	111.2	K26 V27 M71 H74 W76 Y77	M1-K26 CarbonylContact O-C 3.51Å; M1-K26 VanDerWaalsContact O-C 3.32Å; M1-K26 VanDerWaalsContact O-CA 3.22Å; M1-K26 WeakPolarHBondContact O-CA 3.32Å; M1-V27 PolarHBondContact N-O 3.34Å; M1-V27 PolarHBondContact O-N 2.64Å; M1-M71 HydrophobicContact CB-CE 3.57Å; M1-M71 HydrophobicContact CG-CE 4.44Å; M1-H74 HydrophobicContact CB-CB 4.29Å; M1-H74 HydrophobicContact CE-CB 3.08Å; M1-H74 HydrophobicContact CG-CB 3.76Å; M1-H74 HydrophobicContact SD-CB 3.9Å; M1-W76 HydrophobicContact CE-CH2 3.54Å; M1-W76 HydrophobicContact CE-CZ2 3.85Å; M1-W76 HydrophobicContact CE-CZ3 4.1Å; M1-W76 HydrophobicContact SD-CH2 4.49Å; M1-Y77 HydrophobicContact CE-CG 4.38Å; M1-Y77 HydrophobicContact CG-CD1 3.54Å; M1-Y77 HydrophobicContact CG-CE1 4.03Å; M1-Y77 HydrophobicContact CG-CG 4.05Å; M1-Y77 WeakPolarHBondContact SD-CB 3.47Å; M1-Y77 HydrophobicContact SD-CD1 3.25Å; M1-Y77 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y77 HydrophobicContact SD-CD2 3.7Å; M1-Y77 HydrophobicContact SD-CE1 3.9Å; M1-Y77 HydrophobicContact SD-CE2 4.3Å; M1-Y77 HydrophobicContact SD-CG 3.1Å
2	E	88.3	Confident	93.5	Very high	26 Å²	26	59.9 Å²	59.9	12%	0.121	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.5	177.3	-61	-167.5	113.8	0	0	110.9	I24 L25 R72 S145 N147	E2-I24 HydrophobicContact CB-CG2 4.07Å; E2-I24 HydrophobicContact CG-CG2 4.3Å; E2-L25 CarbonylContact C-O 3.58Å; E2-L25 WeakPolarHBondContact CA-O 3.2Å; E2-R72 HydrophobicContact CB-CB 4.34Å; E2-R72 HydrophobicContact CB-CG 4.44Å; E2-R72 WeakPolarHBondContact O-CB 3.29Å; E2-R72 PolarHBondContact O-N 3.46Å; E2-S145 WeakPolarHBondContact OE1-CB 3.29Å; E2-S145 PolarHBondContact OE1-OG 2.84Å; E2-S145 WeakPolarHBondContact OE2-CB 3.18Å; E2-S145 PolarHBondContact OE2-OG 3.31Å; E2-N147 WeakPolarHBondContact OE2-CB 3.35Å; E2-N147 PolarHBondContact OE2-OD1 2.88Å; E2-N147 VanDerWaalsContact OE2-OD1 3.14Å
3	A	90.6	Very high	93.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.8	168.5	0	0	0	0	0	109.7	I24 L25 V27 I69 K70 M71	A3-I24 CarbonylContact O-C 3.55Å; A3-I24 WeakPolarHBondContact O-CA 2.92Å; A3-L25 PolarHBondContact N-O 2.74Å; A3-L25 PolarHBondContact O-N 2.8Å; A3-V27 HydrophobicContact CB-CG2 3.44Å; A3-V27 VanDerWaalsContact CB-CG2 3.44Å; A3-I69 HydrophobicContact CB-CB 4.1Å; A3-I69 HydrophobicContact CB-CD1 3.81Å; A3-I69 HydrophobicContact CB-CG1 4.26Å; A3-K70 CarbonylContact C-O 3.43Å; A3-K70 VanDerWaalsContact CA-O 3.28Å; A3-K70 WeakPolarHBondContact CA-O 3.33Å; A3-M71 HydrophobicContact CB-SD 3.71Å
4	E	94.1	Very high	93.4	Very high	80 Å²	80	63.8 Å²	63.8	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.8	176.7	-174.6	166.5	154.9	0	0	109.7	E6 I24 I69 K70 R72	E4-E6 PolarHBondContact O-N 3.15Å; E4-I24 HydrophobicContact CB-CD1 3.97Å; E4-I24 HydrophobicContact CG-CD1 3.84Å; E4-I69 CarbonylContact O-C 3.45Å; E4-I69 WeakPolarHBondContact O-CA 3.44Å; E4-K70 PolarHBondContact N-O 2.97Å; E4-K70 PolarHBondContact O-N 2.92Å; E4-R72 IonicContact OE2-CZ 2.8Å; E4-R72 IonicContact OE2-NE 3.7Å; E4-R72 IonicContact OE2-NH2 2.9Å; E4-R72 PolarHBondContact OE2-NH2 3.27Å
5	A	95.5	Very high	93.4	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	115.8	174.9	0	0	0	0	0	110.4	F19 K20 G22 N23 L25	A5-F19 HydrophobicContact CB-CD2 3.39Å; A5-F19 HydrophobicContact CB-CE2 3.65Å; A5-F19 HydrophobicContact CB-CG 4.37Å; A5-K20 VanDerWaalsContact CB-O 3.32Å; A5-K20 WeakPolarHBondContact CB-O 3.26Å; A5-G22 PolarHBondContact O-N 3.45Å; A5-N23 HydrophobicContact CB-CB 4.42Å; A5-N23 PolarHBondContact N-O 2.81Å; A5-L25 HydrophobicContact CB-CD1 4.38Å
6	E	96.3	Very high	93.5	Very high	83 Å²	83	63.4 Å²	63.4	39%	0.388	35%	0.35	S	S	.	.	S	Bend	trans	-84.3	-18.7	176.2	-63.7	-161.1	140.1	0	0	112.1	E4 K21 Y68 K70	E4-E6 PolarHBondContact O-N 3.15Å; E6-K21 VanDerWaalsContact O-CD 3.23Å; E6-K21 WeakPolarHBondContact O-CD 3.47Å; E6-K21 VanDerWaalsContact O-CE 3.25Å; E6-K21 WeakPolarHBondContact O-CE 3.38Å; E6-K21 WeakPolarHBondContact O-CG 3.38Å; E6-Y68 PolarHBondContact N-O 2.94Å; E6-K70 HydrophobicContact CG-CB 3.9Å; E6-K70 WeakPolarHBondContact OE1-CD 3.39Å
7	H	95.7	Very high	93.6	Very high	95 Å²	95	60.2 Å²	60.2	44%	0.44	33%	0.333	S	S	.	.	S	Bend	trans	-134.6	164.1	-177.6	-61.8	-75.8	0	0	0	111.8	F19 K21 Y68	H7-F19 WeakPolarHBondContact O-CD2 3.08Å; H7-F19 VanDerWaalsContact O-CE2 3.26Å; H7-F19 WeakPolarHBondContact O-CE2 3.35Å; H7-K21 PolarHBondContact O-N 3.02Å; H7-Y68 HydrophobicContact CB-CD1 3.55Å; H7-Y68 HydrophobicContact CB-CE1 3.95Å; H7-Y68 HydrophobicContact CB-CG 4.1Å
8	D	97.5	Very high	93.8	Very high	81 Å²	81	59.8 Å²	59.8	43%	0.433	33%	0.334	S	S	.	.			trans	-78.5	141.1	166.2	-81.4	13.1	0	0	0	109.2	K20 K21 Y68	D8-K20 HydrophobicContact CB-CD 4.41Å; D8-K20 WeakPolarHBondContact OD1-CA 3.37Å; D8-K20 VanDerWaalsContact OD2-CD 3.26Å; D8-K20 WeakPolarHBondContact OD2-CD 3.19Å; D8-K20 IonicContact OD2-NZ 2.83Å; D8-K20 PolarHBondContact OD2-NZ 3.37Å; D8-K21 WeakPolarHBondContact OD1-CB 3.36Å; D8-K21 PolarHBondContact OD1-N 2.74Å; D8-Y68 WeakPolarHBondContact O-CE1 3.29Å
9	F	96.8	Very high	93.9	Very high	28 Å²	28	57.1 Å²	57.1	12%	0.123	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-135.6	130	173.8	-179.7	-110.1	0	0	0	110.7	E16 L17 S18 F19 W52 P65 Y68	F9-E16 HydrophobicContact CE1-CB 4.24Å; F9-E16 HydrophobicContact CZ-CG 4.49Å; F9-L17 VanDerWaalsContact CD1-O 3.29Å; F9-L17 WeakPolarHBondContact CD1-O 3.28Å; F9-S18 WeakPolarHBondContact O-CA 3.03Å; F9-F19 HydrophobicContact CB-CD1 3.96Å; F9-F19 HydrophobicContact CB-CD2 4.06Å; F9-F19 HydrophobicContact CB-CE1 3.45Å; F9-F19 VanDerWaalsContact CB-CE1 3.45Å; F9-F19 HydrophobicContact CB-CE2 3.62Å; F9-F19 HydrophobicContact CB-CG 4.24Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.08Å; F9-F19 AromaticContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CZ 4.22Å; F9-F19 HydrophobicContact CG-CD1 4.49Å; F9-F19 AromaticContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CE1 3.82Å; F9-F19 AromaticContact CG-CZ 3.98Å; F9-F19 HydrophobicContact CG-CZ 3.98Å; F9-F19 PolarHBondContact N-O 3.24Å; F9-F19 PolarHBondContact O-N 2.89Å; F9-F19 VanDerWaalsContact O-O 3.09Å; F9-W52 HydrophobicContact CE1-CZ3 4.29Å; F9-W52 HydrophobicContact CE2-CH2 4.29Å; F9-W52 AromaticContact CZ-CH2 3.74Å; F9-W52 HydrophobicContact CZ-CH2 3.74Å; F9-W52 AromaticContact CZ-CZ3 3.83Å; F9-W52 HydrophobicContact CZ-CZ3 3.83Å; F9-P65 HydrophobicContact CD1-CG 4.42Å; F9-P65 HydrophobicContact CD2-CG 3.66Å; F9-P65 HydrophobicContact CE1-CG 4.47Å; F9-P65 HydrophobicContact CE2-CG 3.73Å; F9-P65 HydrophobicContact CG-CG 4.03Å; F9-P65 HydrophobicContact CZ-CG 4.17Å; F9-Y68 HydrophobicContact CB-CD1 3.94Å; F9-Y68 HydrophobicContact CB-CE1 4.36Å; F9-Y68 HydrophobicContact CD2-CD1 4.25Å; F9-Y68 HydrophobicContact CD2-CE1 4.17Å; F9-Y68 HydrophobicContact CG-CD1 4.47Å
10	Q	96.6	Very high	94.1	Very high	143 Å²	143	59.7 Å²	59.7	67%	0.668	33%	0.326	S	S	*	.			trans	-110.6	119.9	177.2	-173.1	89.9	30	0	0	107.8	T12	Q10-T12 PolarHBondContact O-N 3.11Å
11	A	94.9	Very high	94.2	Very high	31 Å²	31	63.7 Å²	63.7	26%	0.256	34%	0.341	S	S	.	.			trans	-60.8	130.5	177.5	0	0	0	0	0	110.4	E16 S18	A11-E16 WeakPolarHBondContact CA-OE2 3.39Å; A11-E16 HydrophobicContact CB-CB 3.67Å; A11-S18 WeakPolarHBondContact CB-OG 3.32Å; A11-S18 PolarHBondContact N-OG 2.95Å
12	T	93.5	Very high	94.8	Very high	125 Å²	125	64.4 Å²	64.4	77%	0.767	35%	0.354	S	S	*	.			trans	-105.9	-20.5	175.4	63.3	0	0	0	0	112.1	Q10 E16	Q10-T12 PolarHBondContact O-N 3.11Å; T12-E16 PolarHBondContact N-OE2 3.08Å; T12-E16 PolarHBondContact OG1-OE1 3.11Å; T12-E16 PolarHBondContact OG1-OE2 2.62Å; T12-E16 VanDerWaalsContact OG1-OE2 3.08Å
13	A	93.7	Very high	95.1	Very high	42 Å²	42	65.9 Å²	65.9	35%	0.347	36%	0.363	S	S	.	.	S	Bend	trans	-117.3	163	174.4	0	0	0	0	0	112.4	D15 E16	A13-D15 VanDerWaalsContact C-N 3.3Å; A13-D15 VanDerWaalsContact CB-OD1 3.28Å; A13-D15 WeakPolarHBondContact CB-OD1 3.35Å; A13-D15 PolarHBondContact O-N 2.83Å; A13-E16 HydrophobicContact CB-CG 3.99Å; A13-E16 PolarHBondContact N-OE2 2.82Å; A13-E16 VanDerWaalsContact N-OE2 3.11Å; A13-E16 PolarHBondContact O-N 3.39Å
14	S	92.4	Very high	95.2	Very high	132 Å²	132	68.6 Å²	68.6	92%	0.923	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.1	-174.8	51.1	0	0	0	0	114.5
15	D	93.3	Very high	95	Very high	88 Å²	88	64.8 Å²	64.8	47%	0.471	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.5	180	58.2	-37	0	0	0	112.8	A13 G62 Y63	A13-D15 VanDerWaalsContact C-N 3.3Å; A13-D15 VanDerWaalsContact CB-OD1 3.28Å; A13-D15 WeakPolarHBondContact CB-OD1 3.35Å; A13-D15 PolarHBondContact O-N 2.83Å; D15-G62 CarbonylContact O-C 3.47Å; D15-G62 WeakPolarHBondContact O-CA 3.32Å; D15-Y63 HydrophobicContact CB-CD2 4.37Å; D15-Y63 PolarHBondContact O-N 3.46Å
16	E	95	Very high	94.6	Very high	33 Å²	33	68.4 Å²	68.4	15%	0.154	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-89.5	150.7	177.2	-71.8	173.8	-176.4	0	0	112.5	F9 A11 T12 A13 W52 Y63	F9-E16 HydrophobicContact CE1-CB 4.24Å; F9-E16 HydrophobicContact CZ-CG 4.49Å; A11-E16 WeakPolarHBondContact CA-OE2 3.39Å; A11-E16 HydrophobicContact CB-CB 3.67Å; T12-E16 PolarHBondContact N-OE2 3.08Å; T12-E16 PolarHBondContact OG1-OE1 3.11Å; T12-E16 PolarHBondContact OG1-OE2 2.62Å; T12-E16 VanDerWaalsContact OG1-OE2 3.08Å; A13-E16 HydrophobicContact CB-CG 3.99Å; A13-E16 PolarHBondContact N-OE2 2.82Å; A13-E16 VanDerWaalsContact N-OE2 3.11Å; A13-E16 PolarHBondContact O-N 3.39Å; E16-W52 HydrophobicContact CG-CH2 4.03Å; E16-W52 HydrophobicContact CG-CZ3 3.83Å; E16-W52 VanDerWaalsContact OE1-CH2 3.25Å; E16-W52 WeakPolarHBondContact OE1-CH2 3.39Å; E16-Y63 WeakPolarHBondContact CA-O 3.5Å
17	L	95.6	Very high	94.1	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.052	36%	0.357	C	S	.	.			trans	-110.9	115.2	-179.8	-179.2	65.1	0	0	0	111.1	F9 F19 L25 A55 L57 K60 Y63 V64	F9-L17 VanDerWaalsContact CD1-O 3.29Å; F9-L17 WeakPolarHBondContact CD1-O 3.28Å; L17-F19 VanDerWaalsContact O-CD1 3.31Å; L17-F19 WeakPolarHBondContact O-CD1 3.28Å; L17-L25 HydrophobicContact CD2-CD2 4.31Å; L17-A55 HydrophobicContact CD2-CB 4.27Å; L17-A55 WeakPolarHBondContact CD2-O 3.11Å; L17-L57 HydrophobicContact CD1-CB 4.36Å; L17-L57 HydrophobicContact CD2-CB 3.83Å; L17-L57 HydrophobicContact CG-CB 4.37Å; L17-K60 HydrophobicContact CD1-CB 3.77Å; L17-Y63 PolarHBondContact N-O 2.79Å; L17-V64 HydrophobicContact CB-CG1 3.85Å; L17-V64 HydrophobicContact CD2-CG1 4.23Å; L17-V64 HydrophobicContact CG-CG1 4.37Å
18	S	96.5	Very high	93.2	Very high	52 Å²	52	63.7 Å²	63.7	36%	0.364	36%	0.362	S	S	.	.			trans	-73.2	143.7	174.4	-56.6	0	0	0	0	112.1	F9 A11	F9-S18 WeakPolarHBondContact O-CA 3.03Å; A11-S18 WeakPolarHBondContact CB-OG 3.32Å; A11-S18 PolarHBondContact N-OG 2.95Å
19	F	96.6	Very high	91.7	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-152.1	165.1	176.1	56.2	-95.9	0	0	0	112.3	A5 H7 F9 L17 L25 L57 V64 Y68 I69	A5-F19 HydrophobicContact CB-CD2 3.39Å; A5-F19 HydrophobicContact CB-CE2 3.65Å; A5-F19 HydrophobicContact CB-CG 4.37Å; H7-F19 WeakPolarHBondContact O-CD2 3.08Å; H7-F19 VanDerWaalsContact O-CE2 3.26Å; H7-F19 WeakPolarHBondContact O-CE2 3.35Å; F9-F19 HydrophobicContact CB-CD1 3.96Å; F9-F19 HydrophobicContact CB-CD2 4.06Å; F9-F19 HydrophobicContact CB-CE1 3.45Å; F9-F19 VanDerWaalsContact CB-CE1 3.45Å; F9-F19 HydrophobicContact CB-CE2 3.62Å; F9-F19 HydrophobicContact CB-CG 4.24Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.08Å; F9-F19 AromaticContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CZ 4.22Å; F9-F19 HydrophobicContact CG-CD1 4.49Å; F9-F19 AromaticContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CE1 3.82Å; F9-F19 AromaticContact CG-CZ 3.98Å; F9-F19 HydrophobicContact CG-CZ 3.98Å; F9-F19 PolarHBondContact N-O 3.24Å; F9-F19 PolarHBondContact O-N 2.89Å; F9-F19 VanDerWaalsContact O-O 3.09Å; L17-F19 VanDerWaalsContact O-CD1 3.31Å; L17-F19 WeakPolarHBondContact O-CD1 3.28Å; F19-L25 HydrophobicContact CB-CD2 4.1Å; F19-L25 HydrophobicContact CD1-CD1 3.97Å; F19-L25 HydrophobicContact CD1-CD2 4.34Å; F19-L25 HydrophobicContact CD2-CD1 4.31Å; F19-L25 HydrophobicContact CE1-CD1 4.2Å; F19-L25 HydrophobicContact CE2-CD1 4.48Å; F19-L25 HydrophobicContact CG-CD1 4.04Å; F19-L25 HydrophobicContact CG-CD2 4.34Å; F19-L25 HydrophobicContact CZ-CD1 4.43Å; F19-L57 HydrophobicContact CB-CD2 3.78Å; F19-V64 HydrophobicContact CD1-CB 4.42Å; F19-V64 HydrophobicContact CD1-CG1 3.76Å; F19-V64 HydrophobicContact CE1-CB 3.66Å; F19-V64 HydrophobicContact CE1-CG1 3.5Å; F19-V64 VanDerWaalsContact CE1-CG1 3.5Å; F19-V64 HydrophobicContact CZ-CB 4.46Å; F19-Y68 HydrophobicContact CZ-CD1 4.4Å; F19-I69 HydrophobicContact CE2-CG2 4.32Å; F19-I69 HydrophobicContact CZ-CG2 3.96Å
20	K	97.3	Very high	90	Very high	109 Å²	109	62.2 Å²	62.2	47%	0.474	36%	0.359	S	S	.	.			trans	-108.6	150.7	174.3	-67.4	-58	-168.1	-178.3	0	111.1	A5 D8 G22 N23	A5-K20 VanDerWaalsContact CB-O 3.32Å; A5-K20 WeakPolarHBondContact CB-O 3.26Å; D8-K20 HydrophobicContact CB-CD 4.41Å; D8-K20 WeakPolarHBondContact OD1-CA 3.37Å; D8-K20 VanDerWaalsContact OD2-CD 3.26Å; D8-K20 WeakPolarHBondContact OD2-CD 3.19Å; D8-K20 IonicContact OD2-NZ 2.83Å; D8-K20 PolarHBondContact OD2-NZ 3.37Å; K20-G22 PolarHBondContact O-N 2.88Å; K20-N23 PolarHBondContact N-OD1 3.18Å; K20-N23 WeakPolarHBondContact O-CB 3.09Å; K20-N23 PolarHBondContact O-N 2.76Å; K20-N23 PolarHBondContact O-OD1 2.83Å
21	K	96.8	Very high	88.1	Confident	145 Å²	145	56.7 Å²	56.7	63%	0.63	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	134.1	171.9	179.9	173.4	-176.3	167.7	0	110.4	E6 H7 D8 N23	E6-K21 VanDerWaalsContact O-CD 3.23Å; E6-K21 WeakPolarHBondContact O-CD 3.47Å; E6-K21 VanDerWaalsContact O-CE 3.25Å; E6-K21 WeakPolarHBondContact O-CE 3.38Å; E6-K21 WeakPolarHBondContact O-CG 3.38Å; H7-K21 PolarHBondContact O-N 3.02Å; D8-K21 WeakPolarHBondContact OD1-CB 3.36Å; D8-K21 PolarHBondContact OD1-N 2.74Å; K21-N23 VanDerWaalsContact C-N 3.3Å
22	G	93.9	Very high	86.3	Confident	40 Å²	40	57.7 Å²	57.7	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-3.2	-176.8	0	0	0	0	0	114.7	A5 K20	A5-G22 PolarHBondContact O-N 3.45Å; K20-G22 PolarHBondContact O-N 2.88Å
23	N	95	Very high	84.7	Confident	57 Å²	57	57.2 Å²	57.2	31%	0.305	33%	0.325	S	S	.	.			trans	-66.6	143.6	169.3	-69.6	170.2	0	0	0	110.9	A5 K20 K21 L57	A5-N23 HydrophobicContact CB-CB 4.42Å; A5-N23 PolarHBondContact N-O 2.81Å; K20-N23 PolarHBondContact N-OD1 3.18Å; K20-N23 WeakPolarHBondContact O-CB 3.09Å; K20-N23 PolarHBondContact O-N 2.76Å; K20-N23 PolarHBondContact O-OD1 2.83Å; K21-N23 VanDerWaalsContact C-N 3.3Å; N23-L57 HydrophobicContact CB-CD1 4.34Å; N23-L57 HydrophobicContact CB-CD2 4.29Å
24	I	92	Very high	83	Confident	57 Å²	57	61 Å²	61	29%	0.292	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115	174.2	-51.1	-50	0	0	0	108.5	E2 A3 E4 L57 R72	E2-I24 HydrophobicContact CB-CG2 4.07Å; E2-I24 HydrophobicContact CG-CG2 4.3Å; A3-I24 CarbonylContact O-C 3.55Å; A3-I24 WeakPolarHBondContact O-CA 2.92Å; E4-I24 HydrophobicContact CB-CD1 3.97Å; E4-I24 HydrophobicContact CG-CD1 3.84Å; I24-L57 WeakPolarHBondContact O-CD1 3.45Å; I24-R72 VanDerWaalsContact CD1-CZ 3.46Å
25	L	90.9	Very high	81.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.4	-176.7	-63.9	165	0	0	0	109.5	E2 A3 A5 L17 F19 V27 A55 L57 I69	E2-L25 CarbonylContact C-O 3.58Å; E2-L25 WeakPolarHBondContact CA-O 3.2Å; A3-L25 PolarHBondContact N-O 2.74Å; A3-L25 PolarHBondContact O-N 2.8Å; A5-L25 HydrophobicContact CB-CD1 4.38Å; L17-L25 HydrophobicContact CD2-CD2 4.31Å; F19-L25 HydrophobicContact CB-CD2 4.1Å; F19-L25 HydrophobicContact CD1-CD1 3.97Å; F19-L25 HydrophobicContact CD1-CD2 4.34Å; F19-L25 HydrophobicContact CD2-CD1 4.31Å; F19-L25 HydrophobicContact CE1-CD1 4.2Å; F19-L25 HydrophobicContact CE2-CD1 4.48Å; F19-L25 HydrophobicContact CG-CD1 4.04Å; F19-L25 HydrophobicContact CG-CD2 4.34Å; F19-L25 HydrophobicContact CZ-CD1 4.43Å; L25-V27 HydrophobicContact CB-CG2 4.32Å; L25-A55 HydrophobicContact CB-CB 4.47Å; L25-L57 HydrophobicContact CD2-CB 3.71Å; L25-L57 HydrophobicContact CD2-CD1 4.1Å; L25-L57 HydrophobicContact CD2-CD2 3.86Å; L25-L57 HydrophobicContact CD2-CG 4.08Å; L25-I69 HydrophobicContact CD1-CG2 3.5Å; L25-I69 VanDerWaalsContact CD1-CG2 3.5Å
26	K	86.9	Confident	79.7	Confident	77 Å²	77	54.7 Å²	54.7	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	94.4	169.4	-66.8	177.8	-171.2	171.4	0	109.2	M1 A55 E56	M1-K26 CarbonylContact O-C 3.51Å; M1-K26 VanDerWaalsContact O-C 3.32Å; M1-K26 VanDerWaalsContact O-CA 3.22Å; M1-K26 WeakPolarHBondContact O-CA 3.32Å; K26-A55 CarbonylContact O-C 3.56Å; K26-A55 VanDerWaalsContact O-CA 3.26Å; K26-A55 WeakPolarHBondContact O-CA 3.46Å; K26-E56 HydrophobicContact CB-CB 4.15Å; K26-E56 PolarHBondContact N-O 2.8Å; K26-E56 PolarHBondContact O-N 2.78Å
27	V	85.2	Confident	78.1	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.4	179.2	-169.7	0	0	0	0	110.8	M1 A3 L25 T29 Y53 A55 I69 M71	M1-V27 PolarHBondContact N-O 3.34Å; M1-V27 PolarHBondContact O-N 2.64Å; A3-V27 HydrophobicContact CB-CG2 3.44Å; A3-V27 VanDerWaalsContact CB-CG2 3.44Å; L25-V27 HydrophobicContact CB-CG2 4.32Å; V27-T29 HydrophobicContact CB-CG2 4.3Å; V27-T29 HydrophobicContact CG1-CG2 3.65Å; V27-T29 PolarHBondContact O-N 3Å; V27-Y53 HydrophobicContact CG1-CD2 4.05Å; V27-Y53 HydrophobicContact CG1-CG 4.08Å; V27-A55 HydrophobicContact CG2-CB 4.14Å; V27-I69 HydrophobicContact CG1-CD1 4.49Å; V27-I69 HydrophobicContact CG2-CD1 3.6Å; V27-M71 HydrophobicContact CB-CE 4.25Å; V27-M71 HydrophobicContact CB-SD 4.08Å; V27-M71 HydrophobicContact CG1-SD 4.23Å; V27-M71 HydrophobicContact CG2-SD 4.05Å
28	S	77.3	Confident	76.5	Confident	79 Å²	79	62.3 Å²	62.3	55%	0.552	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	89.8	167.5	-66.4	0	0	0	0	107.8	K54	S28-K54 PolarHBondContact N-O 2.9Å
29	T	64.7	Low	74.9	Confident	29 Å²	29	64.1 Å²	64.1	18%	0.178	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-88.9	139	173.1	56.2	0	0	0	0	109.8	V27 M71	V27-T29 HydrophobicContact CB-CG2 4.3Å; V27-T29 HydrophobicContact CG1-CG2 3.65Å; V27-T29 PolarHBondContact O-N 3Å; T29-M71 HydrophobicContact CG2-CE 3.45Å; T29-M71 VanDerWaalsContact CG2-CE 3.45Å; T29-M71 HydrophobicContact CG2-SD 4.04Å
30	P	61.5	Low	73.2	Confident	48 Å²	48	70.5 Å²	70.5	31%	0.312	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-60.7	160.6	165	25.1	-31.4	0	0	0	110.8	N45	P30-N45 WeakPolarHBondContact CB-OD1 3.48Å
31	L	56.6	Low	71.4	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.141	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-56.6	139.2	171.5	-93.1	172	0	0	0	110.3	F33 V36 N45 Y78	L31-F33 PolarHBondContact O-N 3.38Å; L31-V36 HydrophobicContact CB-CG2 3.64Å; L31-N45 PolarHBondContact O-ND2 2.93Å; L31-Y78 WeakPolarHBondContact CD1-O 3.22Å; L31-Y78 VanDerWaalsContact CD2-CA 3.41Å; L31-Y78 HydrophobicContact CD2-CD1 4.44Å; L31-Y78 HydrophobicContact CD2-CG 4.5Å; L31-Y78 WeakPolarHBondContact CD2-O 3.26Å; L31-Y78 WeakPolarHBondContact CG-O 3.4Å
32	P	56.8	Low	69.7	Low	52 Å²	52	64.2 Å²	64.2	34%	0.338	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-53.8	136.2	169.9	-20.9	30.5	0	0	0	109.9	E34 Y35	P32-E34 HydrophobicContact CB-CG 4.14Å; P32-E34 PolarHBondContact O-N 3.08Å; P32-E34 VanDerWaalsContact O-N 3.1Å; P32-Y35 HydrophobicContact CB-CD2 3.81Å; P32-Y35 HydrophobicContact CB-CE2 4.14Å; P32-Y35 HydrophobicContact CG-CD2 3.89Å; P32-Y35 HydrophobicContact CG-CE2 4.17Å; P32-Y35 PolarHBondContact O-N 3.34Å
33	F	60.9	Low	67.9	Low	116 Å²	116	66.3 Å²	66.3	51%	0.509	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-52.3	-38.7	-171.7	-174.8	-95.9	0	0	0	112.7	L31 Y35 V36 Q42	L31-F33 PolarHBondContact O-N 3.38Å; F33-Y35 PolarHBondContact O-N 3.33Å; F33-Y35 VanDerWaalsContact O-N 3.1Å; F33-V36 PolarHBondContact O-N 3.45Å; F33-Q42 HydrophobicContact CD2-CG 4.35Å; F33-Q42 HydrophobicContact CE2-CB 3.85Å; F33-Q42 HydrophobicContact CE2-CG 3.74Å; F33-Q42 HydrophobicContact CZ-CG 4.18Å
34	E	56.9	Low	66.1	Low	122 Å²	122	68.8 Å²	68.8	57%	0.57	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-57.3	-22.8	177.7	65.2	-170.2	-149.8	0	0	114.6	P32	P32-E34 HydrophobicContact CB-CG 4.14Å; P32-E34 PolarHBondContact O-N 3.08Å; P32-E34 VanDerWaalsContact O-N 3.1Å
35	Y	57.6	Low	64.6	Low	79 Å²	79	68.2 Å²	68.2	31%	0.31	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-102.8	-4.3	178.9	-57.1	-61.5	0	0	0	113.9	P32 F33 L37 Y78	P32-Y35 HydrophobicContact CB-CD2 3.81Å; P32-Y35 HydrophobicContact CB-CE2 4.14Å; P32-Y35 HydrophobicContact CG-CD2 3.89Å; P32-Y35 HydrophobicContact CG-CE2 4.17Å; P32-Y35 PolarHBondContact O-N 3.34Å; F33-Y35 PolarHBondContact O-N 3.33Å; F33-Y35 VanDerWaalsContact O-N 3.1Å; Y35-L37 PolarHBondContact O-N 2.88Å; Y35-L37 VanDerWaalsContact O-N 3.16Å; Y35-Y78 AromaticContact CD1-CE1 3.64Å; Y35-Y78 HydrophobicContact CD1-CE1 3.64Å; Y35-Y78 HydrophobicContact CD2-CE1 4.01Å; Y35-Y78 AromaticContact CE1-CE1 3.98Å; Y35-Y78 HydrophobicContact CE1-CE1 3.98Å; Y35-Y78 HydrophobicContact CE2-CE1 4.35Å; Y35-Y78 HydrophobicContact CG-CD1 4.23Å; Y35-Y78 AromaticContact CG-CE1 3.68Å; Y35-Y78 HydrophobicContact CG-CE1 3.68Å
36	V	60.2	Low	62.9	Low	8 Å²	8	75.2 Å²	75.2	5%	0.048	39%	0.391	C	S	.	.			trans	-83.9	93.8	-179	-172.5	0	0	0	0	109.5	L31 F33 D38 L41 Q42	L31-V36 HydrophobicContact CB-CG2 3.64Å; F33-V36 PolarHBondContact O-N 3.45Å; V36-D38 VanDerWaalsContact C-N 3.34Å; V36-L41 HydrophobicContact CG1-CB 3.46Å; V36-L41 VanDerWaalsContact CG1-CB 3.46Å; V36-Q42 HydrophobicContact CB-CG 3.96Å; V36-Q42 HydrophobicContact CG1-CG 3.69Å; V36-Q42 PolarHBondContact O-NE2 3.24Å
37	L	60.9	Low	61.6	Low	127 Å²	127	78.1 Å²	78.1	67%	0.665	41%	0.41	S	S	*	.			trans	-75.3	-21.3	178.9	-60	178.5	0	0	0	113.7	Y35 P39	Y35-L37 PolarHBondContact O-N 2.88Å; Y35-L37 VanDerWaalsContact O-N 3.16Å; L37-P39 WeakPolarHBondContact O-CD 3.2Å
38	D	61.7	Low	60.9	Low	75 Å²	75	83.4 Å²	83.4	40%	0.401	44%	0.435	S	S	.	.			trans	-87.2	116.9	-179.3	-174	-21.9	0	0	0	110.6	V36 M40 L41 Q42	V36-D38 VanDerWaalsContact C-N 3.34Å; D38-M40 PolarHBondContact O-N 3.39Å; D38-M40 WeakPolarHBondContact OD1-CB 3.29Å; D38-M40 PolarHBondContact OD1-N 3.5Å; D38-L41 HydrophobicContact CB-CB 4.18Å; D38-L41 HydrophobicContact CB-CD1 4.01Å; D38-L41 HydrophobicContact CB-CG 4.05Å; D38-L41 PolarHBondContact O-N 3.24Å; D38-L41 VanDerWaalsContact O-N 3.14Å; D38-Q42 PolarHBondContact O-N 3.18Å; D38-Q42 VanDerWaalsContact O-N 3.12Å
39	P	62.9	Low	61	Low	91 Å²	91	83.6 Å²	83.6	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-57.6	-29.6	178.4	-23.5	33.8	0	0	0	114	L37 Q42 V43	L37-P39 WeakPolarHBondContact O-CD 3.2Å; P39-Q42 WeakPolarHBondContact O-CB 3.19Å; P39-Q42 PolarHBondContact O-N 3.46Å; P39-V43 WeakPolarHBondContact O-CG2 3.22Å; P39-V43 PolarHBondContact O-N 3.01Å
40	M	61.6	Low	61.5	Low	142 Å²	142	86.6 Å²	86.6	70%	0.7	45%	0.45	S	S	*	.	H	α-helix	trans	-71.4	-39.4	178	-70	-174.1	64	0	0	111.9	D38 Q42 V43 L44	D38-M40 PolarHBondContact O-N 3.39Å; D38-M40 WeakPolarHBondContact OD1-CB 3.29Å; D38-M40 PolarHBondContact OD1-N 3.5Å; M40-Q42 VanDerWaalsContact C-N 3.29Å; M40-Q42 PolarHBondContact O-N 2.87Å; M40-V43 PolarHBondContact O-N 3.48Å; M40-L44 PolarHBondContact O-N 2.98Å; M40-L44 VanDerWaalsContact O-N 3.15Å
41	L	59.5	Low	62.6	Low	65 Å²	65	88.8 Å²	88.8	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-33.3	174.5	-69	179.4	0	0	0	111.3	V36 D38 V43 L44 N45	V36-L41 HydrophobicContact CG1-CB 3.46Å; V36-L41 VanDerWaalsContact CG1-CB 3.46Å; D38-L41 HydrophobicContact CB-CB 4.18Å; D38-L41 HydrophobicContact CB-CD1 4.01Å; D38-L41 HydrophobicContact CB-CG 4.05Å; D38-L41 PolarHBondContact O-N 3.24Å; D38-L41 VanDerWaalsContact O-N 3.14Å; L41-V43 VanDerWaalsContact C-N 3.31Å; L41-V43 PolarHBondContact O-N 2.73Å; L41-L44 HydrophobicContact CD2-CD1 4.25Å; L41-L44 PolarHBondContact O-N 3.45Å; L41-N45 PolarHBondContact O-N 3.35Å
42	Q	60.3	Low	64.1	Low	56 Å²	56	91.2 Å²	91.2	26%	0.262	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-38.9	173.3	-71	-176.9	16.7	0	0	112.2	F33 V36 D38 P39 M40 K46	F33-Q42 HydrophobicContact CD2-CG 4.35Å; F33-Q42 HydrophobicContact CE2-CB 3.85Å; F33-Q42 HydrophobicContact CE2-CG 3.74Å; F33-Q42 HydrophobicContact CZ-CG 4.18Å; V36-Q42 HydrophobicContact CB-CG 3.96Å; V36-Q42 HydrophobicContact CG1-CG 3.69Å; V36-Q42 PolarHBondContact O-NE2 3.24Å; D38-Q42 PolarHBondContact O-N 3.18Å; D38-Q42 VanDerWaalsContact O-N 3.12Å; P39-Q42 WeakPolarHBondContact O-CB 3.19Å; P39-Q42 PolarHBondContact O-N 3.46Å; M40-Q42 VanDerWaalsContact C-N 3.29Å; M40-Q42 PolarHBondContact O-N 2.87Å; Q42-K46 WeakPolarHBondContact O-CG 3.14Å; Q42-K46 PolarHBondContact O-N 2.95Å
43	V	57.4	Low	65.6	Low	84 Å²	84	92.3 Å²	92.3	51%	0.509	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-45.7	176.3	176.2	0	0	0	0	110.7	P39 M40 L41 N45 K46	P39-V43 WeakPolarHBondContact O-CG2 3.22Å; P39-V43 PolarHBondContact O-N 3.01Å; M40-V43 PolarHBondContact O-N 3.48Å; L41-V43 VanDerWaalsContact C-N 3.31Å; L41-V43 PolarHBondContact O-N 2.73Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 2.88Å; V43-K46 WeakPolarHBondContact O-CB 3.36Å; V43-K46 PolarHBondContact O-N 2.85Å
44	L	57.2	Low	67	Low	110 Å²	110	90.9 Å²	90.9	58%	0.576	46%	0.458	S	S	*	.	H	α-helix	trans	-60	-39.1	178.7	-70.7	170.5	0	0	0	112.6	M40 L41 K46 D47	M40-L44 PolarHBondContact O-N 2.98Å; M40-L44 VanDerWaalsContact O-N 3.15Å; L41-L44 HydrophobicContact CD2-CD1 4.25Å; L41-L44 PolarHBondContact O-N 3.45Å; L44-K46 PolarHBondContact O-N 3.26Å; L44-D47 PolarHBondContact O-N 3.34Å
45	N	59.6	Low	68.6	Low	44 Å²	44	85.1 Å²	85.1	24%	0.235	43%	0.431	C	S	.	.	H	α-helix	trans	-66.5	-21.7	175.5	-77.8	3.4	0	0	0	113.6	P30 L31 L41 V43	P30-N45 WeakPolarHBondContact CB-OD1 3.48Å; L31-N45 PolarHBondContact O-ND2 2.93Å; L41-N45 PolarHBondContact O-N 3.35Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 2.88Å
46	K	55	Low	70.2	Confident	148 Å²	148	84.2 Å²	84.2	64%	0.643	43%	0.43	S	S	*	.	H	α-helix	trans	-79.3	-24.9	-178.4	-78.1	177.3	179	-179	0	113.6	Q42 V43 L44	Q42-K46 WeakPolarHBondContact O-CG 3.14Å; Q42-K46 PolarHBondContact O-N 2.95Å; V43-K46 WeakPolarHBondContact O-CB 3.36Å; V43-K46 PolarHBondContact O-N 2.85Å; L44-K46 PolarHBondContact O-N 3.26Å
47	D	59.8	Low	71.7	Confident	137 Å²	137	85.9 Å²	85.9	73%	0.733	44%	0.439	S	S	*	.	S	Bend	trans	-89.2	-3.4	-176.5	-68.5	-31	0	0	0	113.1	L44	L44-D47 PolarHBondContact O-N 3.34Å
48	E	70.4	Confident	72.8	Confident	112 Å²	112	83.7 Å²	83.7	52%	0.523	45%	0.447	S	S	.	.	S	Bend	trans	-80.7	135.5	176.7	-64.3	-166.7	158	0	0	111.4	P50	E48-P50 VanDerWaalsContact O-CD 3.31Å; E48-P50 WeakPolarHBondContact O-CD 3.39Å
49	D	78.9	Confident	73.9	Confident	84 Å²	84	83 Å²	83	45%	0.449	46%	0.457	S	S	.	.			trans	-65.7	114.6	175.1	-174.5	-24.6	0	0	0	109.7	N51 W52	D49-N51 PolarHBondContact O-N 3.3Å; D49-N51 VanDerWaalsContact O-N 3.1Å; D49-N51 WeakPolarHBondContact OD1-CA 3.36Å; D49-N51 VanDerWaalsContact OD1-CB 3.27Å; D49-N51 WeakPolarHBondContact OD1-CB 3.32Å; D49-N51 PolarHBondContact OD1-N 2.96Å; D49-W52 PolarHBondContact O-N 2.9Å; D49-W52 VanDerWaalsContact O-N 3.08Å
50	P	75.9	Confident	75.2	Confident	92 Å²	92	86 Å²	86	60%	0.597	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.4	-176.8	29.2	-36.4	0	0	0	113.1	E48 W52 S66	E48-P50 VanDerWaalsContact O-CD 3.31Å; E48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-W52 VanDerWaalsContact C-N 3.33Å; P50-S66 PolarHBondContact O-OG 2.88Å
51	N	85	Confident	76.6	Confident	94 Å²	94	84.9 Å²	84.9	50%	0.503	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10	177.7	-64.1	112.5	0	0	0	113.1	D49 P65 S66	D49-N51 PolarHBondContact O-N 3.3Å; D49-N51 VanDerWaalsContact O-N 3.1Å; D49-N51 WeakPolarHBondContact OD1-CA 3.36Å; D49-N51 VanDerWaalsContact OD1-CB 3.27Å; D49-N51 WeakPolarHBondContact OD1-CB 3.32Å; D49-N51 PolarHBondContact OD1-N 2.96Å; N51-P65 CarbonylContact O-C 3.42Å; N51-P65 WeakPolarHBondContact O-CA 3.47Å; N51-S66 WeakPolarHBondContact CA-OG 3.48Å; N51-S66 PolarHBondContact O-N 3.25Å; N51-S66 PolarHBondContact O-OG 2.9Å
52	W	88.2	Confident	78.2	Confident	78 Å²	78	82.1 Å²	82.1	30%	0.295	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.7	-177.7	-69.3	92.9	0	0	0	112.2	F9 E16 D49 P50 Y63 V64 P65	F9-W52 HydrophobicContact CE1-CZ3 4.29Å; F9-W52 HydrophobicContact CE2-CH2 4.29Å; F9-W52 AromaticContact CZ-CH2 3.74Å; F9-W52 HydrophobicContact CZ-CH2 3.74Å; F9-W52 AromaticContact CZ-CZ3 3.83Å; F9-W52 HydrophobicContact CZ-CZ3 3.83Å; E16-W52 HydrophobicContact CG-CH2 4.03Å; E16-W52 HydrophobicContact CG-CZ3 3.83Å; E16-W52 VanDerWaalsContact OE1-CH2 3.25Å; E16-W52 WeakPolarHBondContact OE1-CH2 3.39Å; D49-W52 PolarHBondContact O-N 2.9Å; D49-W52 VanDerWaalsContact O-N 3.08Å; P50-W52 VanDerWaalsContact C-N 3.33Å; W52-Y63 HydrophobicContact CB-CD1 4.26Å; W52-V64 WeakPolarHBondContact CA-O 3.34Å; W52-V64 VanDerWaalsContact CE3-C 3.43Å; W52-P65 HydrophobicContact CZ3-CB 4.46Å; W52-P65 HydrophobicContact CZ3-CG 4.4Å
53	Y	88.4	Confident	79.8	Confident	75 Å²	75	84.3 Å²	84.3	29%	0.294	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.7	174.2	-62.4	-29.2	0	0	0	111.2	V27 A55 Y63 V64 I69	V27-Y53 HydrophobicContact CG1-CD2 4.05Å; V27-Y53 HydrophobicContact CG1-CG 4.08Å; Y53-A55 PolarHBondContact O-N 2.81Å; Y53-Y63 CarbonylContact O-C 3.47Å; Y53-Y63 WeakPolarHBondContact O-CA 3.26Å; Y53-V64 PolarHBondContact N-O 3.37Å; Y53-V64 WeakPolarHBondContact O-CG2 3.18Å; Y53-V64 PolarHBondContact O-N 3.44Å; Y53-I69 HydrophobicContact CD2-CD1 3.82Å
54	K	89	Confident	81.5	Confident	85 Å²	85	80.3 Å²	80.3	37%	0.37	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.2	169.5	-171.4	172.6	-179.4	-172.3	0	109.3	S28 E61 Y63	S28-K54 PolarHBondContact N-O 2.9Å; K54-E61 WeakPolarHBondContact CE-OE2 3.48Å; K54-E61 IonicContact NZ-OE2 2.89Å; K54-E61 PolarHBondContact NZ-OE2 3.4Å; K54-Y63 HydrophobicContact CB-CD1 4.32Å; K54-Y63 HydrophobicContact CB-CE1 4.08Å
55	A	91.5	Very high	83.1	Confident	2 Å²	2	75.5 Å²	75.5	2%	0.017	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.3	-179.9	0	0	0	0	0	112.7	L17 L25 K26 V27 Y53 E61 G62 V64	L17-A55 HydrophobicContact CD2-CB 4.27Å; L17-A55 WeakPolarHBondContact CD2-O 3.11Å; L25-A55 HydrophobicContact CB-CB 4.47Å; K26-A55 CarbonylContact O-C 3.56Å; K26-A55 VanDerWaalsContact O-CA 3.26Å; K26-A55 WeakPolarHBondContact O-CA 3.46Å; V27-A55 HydrophobicContact CG2-CB 4.14Å; Y53-A55 PolarHBondContact O-N 2.81Å; A55-E61 CarbonylContact O-C 3.56Å; A55-E61 VanDerWaalsContact O-CA 3.27Å; A55-E61 WeakPolarHBondContact O-CA 3.45Å; A55-G62 PolarHBondContact N-O 3.38Å; A55-G62 PolarHBondContact O-N 3.44Å; A55-G62 VanDerWaalsContact O-O 3.1Å; A55-V64 HydrophobicContact CB-CG1 3.99Å; A55-V64 HydrophobicContact CB-CG2 3.66Å
56	E	90.5	Very high	84.5	Confident	60 Å²	60	74.4 Å²	74.4	28%	0.28	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.2	174.2	-175.1	-151.1	136.9	0	0	110.2	K26 K60 E61	K26-E56 HydrophobicContact CB-CB 4.15Å; K26-E56 PolarHBondContact N-O 2.8Å; K26-E56 PolarHBondContact O-N 2.78Å; E56-K60 CarbonylContact C-O 3.58Å; E56-K60 WeakPolarHBondContact CA-O 3.4Å; E56-E61 HydrophobicContact CB-CG 4.13Å; E56-E61 HydrophobicContact CG-CG 4.13Å
57	L	91.2	Very high	86.2	Confident	43 Å²	43	72.4 Å²	72.4	23%	0.225	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.4	172.2	-174.1	58.7	0	0	0	110	L17 F19 N23 I24 L25 G59 K60	L17-L57 HydrophobicContact CD1-CB 4.36Å; L17-L57 HydrophobicContact CD2-CB 3.83Å; L17-L57 HydrophobicContact CG-CB 4.37Å; F19-L57 HydrophobicContact CB-CD2 3.78Å; N23-L57 HydrophobicContact CB-CD1 4.34Å; N23-L57 HydrophobicContact CB-CD2 4.29Å; I24-L57 WeakPolarHBondContact O-CD1 3.45Å; L25-L57 HydrophobicContact CD2-CB 3.71Å; L25-L57 HydrophobicContact CD2-CD1 4.1Å; L25-L57 HydrophobicContact CD2-CD2 3.86Å; L25-L57 HydrophobicContact CD2-CG 4.08Å; L57-G59 PolarHBondContact O-N 2.81Å; L57-K60 PolarHBondContact N-O 3.45Å; L57-K60 PolarHBondContact O-N 2.99Å
58	G	85.6	Confident	87.9	Confident	81 Å²	81	69.8 Å²	69.8	84%	0.835	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	36.5	177.5	0	0	0	0	0	113.4	K60	G58-K60 VanDerWaalsContact C-N 3.26Å; G58-K60 PolarHBondContact O-N 3.34Å
59	G	83.7	Confident	88.9	Confident	61 Å²	61	65 Å²	65	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	1.9	-178.1	0	0	0	0	0	115.3	L57	L57-G59 PolarHBondContact O-N 2.81Å
60	K	90.6	Very high	89.4	Confident	152 Å²	152	67.2 Å²	67.2	66%	0.661	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.6	170.2	-63.8	-176.9	179.9	-178.5	0	109.5	L17 E56 L57 G58	L17-K60 HydrophobicContact CD1-CB 3.77Å; E56-K60 CarbonylContact C-O 3.58Å; E56-K60 WeakPolarHBondContact CA-O 3.4Å; L57-K60 PolarHBondContact N-O 3.45Å; L57-K60 PolarHBondContact O-N 2.99Å; G58-K60 VanDerWaalsContact C-N 3.26Å; G58-K60 PolarHBondContact O-N 3.34Å
61	E	90.9	Very high	89.9	Confident	120 Å²	120	65 Å²	65	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.5	172.8	-63.6	-171.9	175.5	0	0	111	K54 A55 E56	K54-E61 WeakPolarHBondContact CE-OE2 3.48Å; K54-E61 IonicContact NZ-OE2 2.89Å; K54-E61 PolarHBondContact NZ-OE2 3.4Å; A55-E61 CarbonylContact O-C 3.56Å; A55-E61 VanDerWaalsContact O-CA 3.27Å; A55-E61 WeakPolarHBondContact O-CA 3.45Å; E56-E61 HydrophobicContact CB-CG 4.13Å; E56-E61 HydrophobicContact CG-CG 4.13Å
62	G	93.5	Very high	90	Very high	6 Å²	6	64.8 Å²	64.8	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	176.3	169.8	0	0	0	0	0	111.6	D15 A55	D15-G62 CarbonylContact O-C 3.47Å; D15-G62 WeakPolarHBondContact O-CA 3.32Å; A55-G62 PolarHBondContact N-O 3.38Å; A55-G62 PolarHBondContact O-N 3.44Å; A55-G62 VanDerWaalsContact O-O 3.1Å
63	Y	93.3	Very high	89.8	Confident	102 Å²	102	64.1 Å²	64.1	40%	0.4	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	140.5	176.5	-70.4	-82.3	0	0	0	111.3	D15 E16 L17 W52 Y53 K54	D15-Y63 HydrophobicContact CB-CD2 4.37Å; D15-Y63 PolarHBondContact O-N 3.46Å; E16-Y63 WeakPolarHBondContact CA-O 3.5Å; L17-Y63 PolarHBondContact N-O 2.79Å; W52-Y63 HydrophobicContact CB-CD1 4.26Å; Y53-Y63 CarbonylContact O-C 3.47Å; Y53-Y63 WeakPolarHBondContact O-CA 3.26Å; K54-Y63 HydrophobicContact CB-CD1 4.32Å; K54-Y63 HydrophobicContact CB-CE1 4.08Å
64	V	92.6	Very high	89.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	176.2	-61.8	0	0	0	0	109.9	L17 F19 W52 Y53 A55 S66 I69	L17-V64 HydrophobicContact CB-CG1 3.85Å; L17-V64 HydrophobicContact CD2-CG1 4.23Å; L17-V64 HydrophobicContact CG-CG1 4.37Å; F19-V64 HydrophobicContact CD1-CB 4.42Å; F19-V64 HydrophobicContact CD1-CG1 3.76Å; F19-V64 HydrophobicContact CE1-CB 3.66Å; F19-V64 HydrophobicContact CE1-CG1 3.5Å; F19-V64 VanDerWaalsContact CE1-CG1 3.5Å; F19-V64 HydrophobicContact CZ-CB 4.46Å; W52-V64 WeakPolarHBondContact CA-O 3.34Å; W52-V64 VanDerWaalsContact CE3-C 3.43Å; Y53-V64 PolarHBondContact N-O 3.37Å; Y53-V64 WeakPolarHBondContact O-CG2 3.18Å; Y53-V64 PolarHBondContact O-N 3.44Å; A55-V64 HydrophobicContact CB-CG1 3.99Å; A55-V64 HydrophobicContact CB-CG2 3.66Å; V64-S66 PolarHBondContact O-N 3.26Å; V64-I69 HydrophobicContact CG2-CD1 3.95Å; V64-I69 HydrophobicContact CG2-CG2 4.49Å
65	P	92	Very high	89.3	Confident	9 Å²	9	66.5 Å²	66.5	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.7	177.8	19.4	-23.6	0	0	0	110.7	F9 N51 W52 N67 Y68	F9-P65 HydrophobicContact CD1-CG 4.42Å; F9-P65 HydrophobicContact CD2-CG 3.66Å; F9-P65 HydrophobicContact CE1-CG 4.47Å; F9-P65 HydrophobicContact CE2-CG 3.73Å; F9-P65 HydrophobicContact CG-CG 4.03Å; F9-P65 HydrophobicContact CZ-CG 4.17Å; N51-P65 CarbonylContact O-C 3.42Å; N51-P65 WeakPolarHBondContact O-CA 3.47Å; W52-P65 HydrophobicContact CZ3-CB 4.46Å; W52-P65 HydrophobicContact CZ3-CG 4.4Å; P65-N67 WeakPolarHBondContact CB-OD1 3.46Å; P65-N67 PolarHBondContact O-N 3.42Å; P65-Y68 HydrophobicContact CB-CD2 3.99Å; P65-Y68 HydrophobicContact CB-CG 4.29Å; P65-Y68 HydrophobicContact CG-CD1 4.18Å; P65-Y68 HydrophobicContact CG-CD2 3.83Å; P65-Y68 HydrophobicContact CG-CE2 4.44Å; P65-Y68 HydrophobicContact CG-CG 3.7Å; P65-Y68 PolarHBondContact O-N 2.78Å; P65-Y68 VanDerWaalsContact O-N 3.08Å
66	S	88.1	Confident	89.2	Confident	22 Å²	22	66.6 Å²	66.6	15%	0.154	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-62.9	-31.4	-174.9	62.7	0	0	0	0	112.6	P50 N51 V64 Y68 I69	P50-S66 PolarHBondContact O-OG 2.88Å; N51-S66 WeakPolarHBondContact CA-OG 3.48Å; N51-S66 PolarHBondContact O-N 3.25Å; N51-S66 PolarHBondContact O-OG 2.9Å; V64-S66 PolarHBondContact O-N 3.26Å; S66-Y68 VanDerWaalsContact C-N 3.28Å; S66-Y68 PolarHBondContact O-N 2.97Å; S66-I69 WeakPolarHBondContact O-CG1 3.36Å; S66-I69 VanDerWaalsContact O-O 3.13Å
67	N	90.7	Very high	89.1	Confident	106 Å²	106	65.1 Å²	65.1	57%	0.567	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-78.1	-3.8	177.7	67.7	-40.2	0	0	0	114.6	P65	P65-N67 WeakPolarHBondContact CB-OD1 3.46Å; P65-N67 PolarHBondContact O-N 3.42Å
68	Y	95.1	Very high	88.8	Confident	81 Å²	81	63.5 Å²	63.5	32%	0.318	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-97.5	-7	176.8	-83.3	-131.7	0	0	0	112.6	E6 H7 D8 F9 F19 P65 S66	E6-Y68 PolarHBondContact N-O 2.94Å; H7-Y68 HydrophobicContact CB-CD1 3.55Å; H7-Y68 HydrophobicContact CB-CE1 3.95Å; H7-Y68 HydrophobicContact CB-CG 4.1Å; D8-Y68 WeakPolarHBondContact O-CE1 3.29Å; F9-Y68 HydrophobicContact CB-CD1 3.94Å; F9-Y68 HydrophobicContact CB-CE1 4.36Å; F9-Y68 HydrophobicContact CD2-CD1 4.25Å; F9-Y68 HydrophobicContact CD2-CE1 4.17Å; F9-Y68 HydrophobicContact CG-CD1 4.47Å; F19-Y68 HydrophobicContact CZ-CD1 4.4Å; P65-Y68 HydrophobicContact CB-CD2 3.99Å; P65-Y68 HydrophobicContact CB-CG 4.29Å; P65-Y68 HydrophobicContact CG-CD1 4.18Å; P65-Y68 HydrophobicContact CG-CD2 3.83Å; P65-Y68 HydrophobicContact CG-CE2 4.44Å; P65-Y68 HydrophobicContact CG-CG 3.7Å; P65-Y68 PolarHBondContact O-N 2.78Å; P65-Y68 VanDerWaalsContact O-N 3.08Å; S66-Y68 VanDerWaalsContact C-N 3.28Å; S66-Y68 PolarHBondContact O-N 2.97Å
69	I	91.7	Very high	88.6	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.8	-173.6	69	171.8	0	0	0	109.6	A3 E4 F19 L25 V27 Y53 V64 S66 M71	A3-I69 HydrophobicContact CB-CB 4.1Å; A3-I69 HydrophobicContact CB-CD1 3.81Å; A3-I69 HydrophobicContact CB-CG1 4.26Å; E4-I69 CarbonylContact O-C 3.45Å; E4-I69 WeakPolarHBondContact O-CA 3.44Å; F19-I69 HydrophobicContact CE2-CG2 4.32Å; F19-I69 HydrophobicContact CZ-CG2 3.96Å; L25-I69 HydrophobicContact CD1-CG2 3.5Å; L25-I69 VanDerWaalsContact CD1-CG2 3.5Å; V27-I69 HydrophobicContact CG1-CD1 4.49Å; V27-I69 HydrophobicContact CG2-CD1 3.6Å; Y53-I69 HydrophobicContact CD2-CD1 3.82Å; V64-I69 HydrophobicContact CG2-CD1 3.95Å; V64-I69 HydrophobicContact CG2-CG2 4.49Å; S66-I69 WeakPolarHBondContact O-CG1 3.36Å; S66-I69 VanDerWaalsContact O-O 3.13Å; I69-M71 HydrophobicContact CD1-SD 4.41Å
70	K	89.9	Confident	88.5	Confident	129 Å²	129	65.6 Å²	65.6	56%	0.561	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.8	171.9	-179.6	171.4	177.8	178.3	0	109.3	A3 E4 E6 R72	A3-K70 CarbonylContact C-O 3.43Å; A3-K70 VanDerWaalsContact CA-O 3.28Å; A3-K70 WeakPolarHBondContact CA-O 3.33Å; E4-K70 PolarHBondContact N-O 2.97Å; E4-K70 PolarHBondContact O-N 2.92Å; E6-K70 HydrophobicContact CG-CB 3.9Å; E6-K70 WeakPolarHBondContact OE1-CD 3.39Å; K70-R72 PolarHBondContact O-N 3.02Å
71	M	86.2	Confident	88.2	Confident	45 Å²	45	59.1 Å²	59.1	22%	0.222	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.9	173.9	-65.6	-58.7	-63.2	0	0	110	M1 A3 V27 T29 I69 H74	M1-M71 HydrophobicContact CB-CE 3.57Å; M1-M71 HydrophobicContact CG-CE 4.44Å; A3-M71 HydrophobicContact CB-SD 3.71Å; V27-M71 HydrophobicContact CB-CE 4.25Å; V27-M71 HydrophobicContact CB-SD 4.08Å; V27-M71 HydrophobicContact CG1-SD 4.23Å; V27-M71 HydrophobicContact CG2-SD 4.05Å; T29-M71 HydrophobicContact CG2-CE 3.45Å; T29-M71 VanDerWaalsContact CG2-CE 3.45Å; T29-M71 HydrophobicContact CG2-SD 4.04Å; I69-M71 HydrophobicContact CD1-SD 4.41Å; M71-H74 VanDerWaalsContact CE-CD2 3.44Å; M71-H74 WeakPolarHBondContact CE-CD2 3.31Å
72	R	88.1	Confident	88	Confident	91 Å²	91	55.4 Å²	55.4	34%	0.343	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-77.9	165.1	170	-66.6	-174.9	165	-171.8	-8.1	109.7	E2 E4 I24 K70 H74	E2-R72 HydrophobicContact CB-CB 4.34Å; E2-R72 HydrophobicContact CB-CG 4.44Å; E2-R72 WeakPolarHBondContact O-CB 3.29Å; E2-R72 PolarHBondContact O-N 3.46Å; E4-R72 IonicContact OE2-CZ 2.8Å; E4-R72 IonicContact OE2-NE 3.7Å; E4-R72 IonicContact OE2-NH2 2.9Å; E4-R72 PolarHBondContact OE2-NH2 3.27Å; I24-R72 VanDerWaalsContact CD1-CZ 3.46Å; K70-R72 PolarHBondContact O-N 3.02Å; R72-H74 PolarHBondContact O-CD2 3.2Å; R72-H74 PolarHBondContact O-N 3Å
73	D	83.1	Confident	87.8	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-55.6	117.4	-179.5	-175	18.5	0	0	0	111.1	R75 W76 N147	D73-R75 WeakPolarHBondContact OD1-CG 3.43Å; D73-R75 IonicContact OD1-CZ 3.66Å; D73-R75 PolarHBondContact OD1-N 3.1Å; D73-R75 IonicContact OD1-NE 3.42Å; D73-R75 PolarHBondContact OD1-NE 3.1Å; D73-R75 IonicContact OD1-NH2 2.84Å; D73-R75 IonicContact OD2-CZ 3.17Å; D73-R75 IonicContact OD2-NE 3.36Å; D73-R75 IonicContact OD2-NH2 3.81Å; D73-R75 PolarHBondContact OD2-NH2 3.41Å; D73-W76 PolarHBondContact O-NE1 3.3Å; D73-N147 PolarHBondContact O-ND2 3.34Å
74	H	83.3	Confident	87.6	Confident	51 Å²	51	58.3 Å²	58.3	24%	0.236	27%	0.268	C	S	.	.			trans	-134.3	19.5	-176.7	61.8	70.6	0	0	0	112.2	M1 M71 R72 W76 Y77	M1-H74 HydrophobicContact CB-CB 4.29Å; M1-H74 HydrophobicContact CE-CB 3.08Å; M1-H74 HydrophobicContact CG-CB 3.76Å; M1-H74 HydrophobicContact SD-CB 3.9Å; M71-H74 VanDerWaalsContact CE-CD2 3.44Å; M71-H74 WeakPolarHBondContact CE-CD2 3.31Å; R72-H74 PolarHBondContact O-CD2 3.2Å; R72-H74 PolarHBondContact O-N 3Å; H74-W76 PolarHBondContact O-N 3.44Å; H74-W76 VanDerWaalsContact O-N 3.12Å; H74-Y77 WeakPolarHBondContact O-CB 3.27Å; H74-Y77 PolarHBondContact O-N 3.08Å
75	R	82.9	Confident	87.2	Confident	159 Å²	159	61 Å²	61	60%	0.6	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26	-178.6	-70	174.6	-66.2	149.6	8.2	113.1	D73 Y77 Y78 D168	D73-R75 WeakPolarHBondContact OD1-CG 3.43Å; D73-R75 IonicContact OD1-CZ 3.66Å; D73-R75 PolarHBondContact OD1-N 3.1Å; D73-R75 IonicContact OD1-NE 3.42Å; D73-R75 PolarHBondContact OD1-NE 3.1Å; D73-R75 IonicContact OD1-NH2 2.84Å; D73-R75 IonicContact OD2-CZ 3.17Å; D73-R75 IonicContact OD2-NE 3.36Å; D73-R75 IonicContact OD2-NH2 3.81Å; D73-R75 PolarHBondContact OD2-NH2 3.41Å; R75-Y77 VanDerWaalsContact C-N 3.34Å; R75-Y78 VanDerWaalsContact O-CE2 3.29Å; R75-Y78 WeakPolarHBondContact O-CE2 3.27Å; R75-D168 IonicContact NH2-OD2 3.36Å
76	W	89.4	Confident	87	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.015	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.8	175.8	49.9	-98.6	0	0	0	113.8	M1 D73 H74 F99 L100 I101 L146 N147 V150	M1-W76 HydrophobicContact CE-CH2 3.54Å; M1-W76 HydrophobicContact CE-CZ2 3.85Å; M1-W76 HydrophobicContact CE-CZ3 4.1Å; M1-W76 HydrophobicContact SD-CH2 4.49Å; D73-W76 PolarHBondContact O-NE1 3.3Å; H74-W76 PolarHBondContact O-N 3.44Å; H74-W76 VanDerWaalsContact O-N 3.12Å; W76-F99 HydrophobicContact CB-CD2 4.12Å; W76-F99 HydrophobicContact CB-CE1 4.38Å; W76-F99 HydrophobicContact CB-CE2 3.31Å; W76-F99 HydrophobicContact CB-CZ 3.43Å; W76-F99 VanDerWaalsContact CB-CZ 3.43Å; W76-F99 HydrophobicContact CD2-CE2 4.21Å; W76-F99 AromaticContact CG-CE2 3.67Å; W76-F99 HydrophobicContact CG-CE2 3.67Å; W76-F99 AromaticContact CG-CZ 3.73Å; W76-F99 HydrophobicContact CG-CZ 3.73Å; W76-L100 CarbonylContact O-C 3.58Å; W76-L100 VanDerWaalsContact O-CA 3.24Å; W76-L100 WeakPolarHBondContact O-CA 3.37Å; W76-I101 HydrophobicContact CE3-CB 3.68Å; W76-I101 HydrophobicContact CE3-CD1 3.67Å; W76-I101 HydrophobicContact CE3-CG1 3.73Å; W76-I101 HydrophobicContact CH2-CD1 4.31Å; W76-I101 HydrophobicContact CZ3-CB 3.76Å; W76-I101 HydrophobicContact CZ3-CD1 3.49Å; W76-I101 VanDerWaalsContact CZ3-CD1 3.49Å; W76-I101 HydrophobicContact CZ3-CG1 3.93Å; W76-I101 HydrophobicContact CZ3-CG2 4.25Å; W76-I101 PolarHBondContact O-N 3.39Å; W76-L146 HydrophobicContact CH2-CB 3.57Å; W76-L146 HydrophobicContact CH2-CD1 4.4Å; W76-L146 HydrophobicContact CZ2-CB 4.47Å; W76-L146 HydrophobicContact CZ3-CB 4.21Å; W76-L146 HydrophobicContact CZ3-CD1 4.46Å; W76-N147 HydrophobicContact CZ2-CB 4.5Å; W76-V150 HydrophobicContact CD2-CG2 3.93Å; W76-V150 HydrophobicContact CE3-CG2 4.13Å; W76-V150 HydrophobicContact CG-CG1 4.38Å; W76-V150 HydrophobicContact CG-CG2 4.5Å; W76-V150 HydrophobicContact CH2-CG2 4.31Å; W76-V150 HydrophobicContact CZ2-CG2 4.08Å; W76-V150 HydrophobicContact CZ3-CG2 4.34Å
77	Y	88.4	Confident	87.2	Confident	28 Å²	28	61.7 Å²	61.7	11%	0.11	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-95.9	120	179.8	-179.5	-106.5	0	0	0	111.7	M1 H74 R75 G79 I101 F111	M1-Y77 HydrophobicContact CE-CG 4.38Å; M1-Y77 HydrophobicContact CG-CD1 3.54Å; M1-Y77 HydrophobicContact CG-CE1 4.03Å; M1-Y77 HydrophobicContact CG-CG 4.05Å; M1-Y77 WeakPolarHBondContact SD-CB 3.47Å; M1-Y77 HydrophobicContact SD-CD1 3.25Å; M1-Y77 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y77 HydrophobicContact SD-CD2 3.7Å; M1-Y77 HydrophobicContact SD-CE1 3.9Å; M1-Y77 HydrophobicContact SD-CE2 4.3Å; M1-Y77 HydrophobicContact SD-CG 3.1Å; H74-Y77 WeakPolarHBondContact O-CB 3.27Å; H74-Y77 PolarHBondContact O-N 3.08Å; R75-Y77 VanDerWaalsContact C-N 3.34Å; Y77-G79 VanDerWaalsContact CZ-CA 3.43Å; Y77-I101 WeakPolarHBondContact CA-O 3.49Å; Y77-I101 HydrophobicContact CD2-CB 4.38Å; Y77-I101 HydrophobicContact CD2-CG2 4.09Å; Y77-F111 AromaticContact CE2-CD1 3.97Å; Y77-F111 HydrophobicContact CE2-CD1 3.97Å; Y77-F111 AromaticContact CE2-CE1 3.72Å; Y77-F111 HydrophobicContact CE2-CE1 3.72Å
78	Y	84.6	Confident	86.9	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.035	28%	0.279	C	S	.	.			trans	-114.4	17.3	-176.6	-76.5	-111.7	0	0	0	112.4	L31 Y35 R75 R80 I81 L89 L100 I101 I169	L31-Y78 WeakPolarHBondContact CD1-O 3.22Å; L31-Y78 VanDerWaalsContact CD2-CA 3.41Å; L31-Y78 HydrophobicContact CD2-CD1 4.44Å; L31-Y78 HydrophobicContact CD2-CG 4.5Å; L31-Y78 WeakPolarHBondContact CD2-O 3.26Å; L31-Y78 WeakPolarHBondContact CG-O 3.4Å; Y35-Y78 AromaticContact CD1-CE1 3.64Å; Y35-Y78 HydrophobicContact CD1-CE1 3.64Å; Y35-Y78 HydrophobicContact CD2-CE1 4.01Å; Y35-Y78 AromaticContact CE1-CE1 3.98Å; Y35-Y78 HydrophobicContact CE1-CE1 3.98Å; Y35-Y78 HydrophobicContact CE2-CE1 4.35Å; Y35-Y78 HydrophobicContact CG-CD1 4.23Å; Y35-Y78 AromaticContact CG-CE1 3.68Å; Y35-Y78 HydrophobicContact CG-CE1 3.68Å; R75-Y78 VanDerWaalsContact O-CE2 3.29Å; R75-Y78 WeakPolarHBondContact O-CE2 3.27Å; Y78-R80 PolarHBondContact O-N 3.41Å; Y78-I81 HydrophobicContact CD1-CD1 4.44Å; Y78-I81 PolarHBondContact O-N 3.26Å; Y78-L89 HydrophobicContact CD1-CD1 4.11Å; Y78-L89 HydrophobicContact CE1-CD1 3.93Å; Y78-L100 HydrophobicContact CD1-CD2 4.42Å; Y78-L100 HydrophobicContact CD2-CB 3.5Å; Y78-L100 VanDerWaalsContact CD2-CB 3.5Å; Y78-L100 HydrophobicContact CD2-CD2 4.23Å; Y78-L100 HydrophobicContact CD2-CG 4.37Å; Y78-L100 HydrophobicContact CE2-CB 3.88Å; Y78-L100 HydrophobicContact CG-CB 4.15Å; Y78-L100 HydrophobicContact CG-CD2 4.18Å; Y78-I101 PolarHBondContact N-O 3.31Å; Y78-I169 HydrophobicContact CE2-CD1 4.06Å
79	G	82.5	Confident	86.5	Confident	5 Å²	5	59 Å²	59	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	45.9	-127.6	172.7	0	0	0	0	0	114.3	Y77 I81 R102 E103	Y77-G79 VanDerWaalsContact CZ-CA 3.43Å; G79-I81 VanDerWaalsContact C-N 3.31Å; G79-I81 PolarHBondContact O-N 2.87Å; G79-R102 CarbonylContact O-C 3.58Å; G79-R102 WeakPolarHBondContact O-CA 3.08Å; G79-E103 PolarHBondContact O-N 3.23Å
80	R	80.9	Confident	86.4	Confident	182 Å²	182	58.4 Å²	58.4	69%	0.687	27%	0.269	S	S	*	.	S	Bend	trans	-79.4	73.4	177.4	-64.8	-178.4	-176.5	-82.9	-22.9	111.7	Y78 E103	Y78-R80 PolarHBondContact O-N 3.41Å; R80-E103 HydrophobicContact CG-CG 4.47Å; R80-E103 WeakPolarHBondContact CG-OE1 3.25Å; R80-E103 IonicContact CZ-OE2 3.8Å; R80-E103 IonicContact NE-OE1 3.64Å; R80-E103 IonicContact NE-OE2 2.91Å; R80-E103 IonicContact NH1-OE2 3.7Å; R80-E103 IonicContact NH2-OE1 3.64Å; R80-E103 IonicContact NH2-OE2 3.72Å; R80-E103 PolarHBondContact NH2-OE2 2.95Å
81	I	84.5	Confident	86.3	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.082	26%	0.258	C	S	.	.			trans	-110	134.8	165.2	-170.6	171.2	0	0	0	110	Y78 G79 N85 A86 L89 L100 R102	Y78-I81 HydrophobicContact CD1-CD1 4.44Å; Y78-I81 PolarHBondContact O-N 3.26Å; G79-I81 VanDerWaalsContact C-N 3.31Å; G79-I81 PolarHBondContact O-N 2.87Å; I81-N85 HydrophobicContact CD1-CB 3.87Å; I81-N85 HydrophobicContact CG1-CB 3.65Å; I81-A86 HydrophobicContact CD1-CB 4.46Å; I81-A86 HydrophobicContact CG2-CB 4.42Å; I81-L89 HydrophobicContact CD1-CD1 3.47Å; I81-L89 VanDerWaalsContact CD1-CD1 3.47Å; I81-L89 HydrophobicContact CD1-CG 4.5Å; I81-L100 HydrophobicContact CG2-CD1 4.15Å; I81-R102 HydrophobicContact CG2-CB 3.44Å; I81-R102 VanDerWaalsContact CG2-CB 3.44Å; I81-R102 HydrophobicContact CG2-CG 4.36Å; I81-R102 WeakPolarHBondContact O-CD 3.48Å
82	C	86.3	Confident	86.2	Confident	42 Å²	42	58.9 Å²	58.9	28%	0.284	27%	0.27	S	S	.	.			trans	-69.9	155.6	177.3	73.2	0	0	0	0	111	A84 N85 A86 E105	C82-A84 PolarHBondContact O-N 3.14Å; C82-N85 PolarHBondContact O-N 2.69Å; C82-N85 VanDerWaalsContact SG-CB 3.53Å; C82-N85 PolarHBondContact SG-N 2.83Å; C82-A86 PolarHBondContact O-N 3.2Å; C82-E105 WeakPolarHBondContact CA-OE1 3.37Å; C82-E105 WeakPolarHBondContact CB-OE1 3.44Å
83	R	90	Very high	86.1	Confident	111 Å²	111	55.1 Å²	55.1	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-52.8	-44.4	177.9	-176.6	-178	175.2	127.6	-7	111.8	A86 E87 E105 H125	R83-A86 WeakPolarHBondContact O-CB 3.35Å; R83-A86 PolarHBondContact O-N 2.79Å; R83-E87 IonicContact CZ-OE1 3.12Å; R83-E87 IonicContact NE-OE1 3.65Å; R83-E87 PolarHBondContact NE-OE1 3.39Å; R83-E87 VanDerWaalsContact NE-OE1 3.17Å; R83-E87 IonicContact NH2-OE1 2.8Å; R83-E87 WeakPolarHBondContact O-CG 3.45Å; R83-E87 PolarHBondContact O-N 2.86Å; R83-E105 VanDerWaalsContact CB-OE2 3.22Å; R83-E105 WeakPolarHBondContact CB-OE2 3.39Å; R83-E105 PolarHBondContact N-OE1 2.85Å; R83-E105 PolarHBondContact N-OE2 2.84Å; R83-H125 PolarHBondContact NE-NE2 2.85Å; R83-H125 PolarHBondContact NH2-CD2 2.76Å; R83-H125 PolarHBondContact NH2-NE2 2.82Å
84	A	88.9	Confident	86.2	Confident	57 Å²	57	56.7 Å²	56.7	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-46.1	-177.8	0	0	0	0	0	112.1	C82 E87 I88	C82-A84 PolarHBondContact O-N 3.14Å; A84-E87 WeakPolarHBondContact O-CB 3.28Å; A84-E87 PolarHBondContact O-N 2.86Å; A84-I88 WeakPolarHBondContact O-CG1 3.11Å; A84-I88 PolarHBondContact O-N 2.71Å
85	N	84.1	Confident	86.4	Confident	58 Å²	58	55.3 Å²	55.3	31%	0.31	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-38.9	178.2	-70.4	-1.4	0	0	0	111.5	I81 C82 E87 I88 L89	I81-N85 HydrophobicContact CD1-CB 3.87Å; I81-N85 HydrophobicContact CG1-CB 3.65Å; C82-N85 PolarHBondContact O-N 2.69Å; C82-N85 VanDerWaalsContact SG-CB 3.53Å; C82-N85 PolarHBondContact SG-N 2.83Å; N85-E87 VanDerWaalsContact C-N 3.3Å; N85-E87 PolarHBondContact O-N 2.67Å; N85-I88 PolarHBondContact O-N 2.78Å; N85-L89 WeakPolarHBondContact O-CG 3.34Å; N85-L89 PolarHBondContact O-N 3.27Å
86	A	88.5	Confident	86.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-43	172.5	0	0	0	0	0	111.8	I81 C82 R83 L89 L90 L100	I81-A86 HydrophobicContact CD1-CB 4.46Å; I81-A86 HydrophobicContact CG2-CB 4.42Å; C82-A86 PolarHBondContact O-N 3.2Å; R83-A86 WeakPolarHBondContact O-CB 3.35Å; R83-A86 PolarHBondContact O-N 2.79Å; A86-L89 PolarHBondContact O-N 2.84Å; A86-L90 WeakPolarHBondContact O-CB 3.38Å; A86-L90 VanDerWaalsContact O-CG 3.25Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 3.49Å; A86-L100 HydrophobicContact CB-CD1 3.84Å; A86-L100 HydrophobicContact CB-CD2 4.06Å; A86-L100 HydrophobicContact CB-CG 4.4Å
87	E	91.2	Very high	86.9	Confident	44 Å²	44	50.9 Å²	50.9	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-40.3	175.5	-70.9	-174	-157.4	0	0	112.4	R83 A84 N85 K91 V123 H125	R83-E87 IonicContact CZ-OE1 3.12Å; R83-E87 IonicContact NE-OE1 3.65Å; R83-E87 PolarHBondContact NE-OE1 3.39Å; R83-E87 VanDerWaalsContact NE-OE1 3.17Å; R83-E87 IonicContact NH2-OE1 2.8Å; R83-E87 WeakPolarHBondContact O-CG 3.45Å; R83-E87 PolarHBondContact O-N 2.86Å; A84-E87 WeakPolarHBondContact O-CB 3.28Å; A84-E87 PolarHBondContact O-N 2.86Å; N85-E87 VanDerWaalsContact C-N 3.3Å; N85-E87 PolarHBondContact O-N 2.67Å; E87-K91 WeakPolarHBondContact O-CB 3.5Å; E87-K91 WeakPolarHBondContact O-CD 3.43Å; E87-K91 WeakPolarHBondContact O-CG 3.37Å; E87-K91 PolarHBondContact O-N 3.4Å; E87-K91 IonicContact OE2-NZ 3.91Å; E87-K91 PolarHBondContact OE2-NZ 2.79Å; E87-V123 HydrophobicContact CB-CG2 4.35Å; E87-V123 HydrophobicContact CG-CB 3.96Å; E87-V123 HydrophobicContact CG-CG1 4.16Å; E87-V123 HydrophobicContact CG-CG2 4.23Å; E87-H125 IonicContact OE1-CE1 3.62Å; E87-H125 IonicContact OE1-NE2 2.88Å; E87-H125 PolarHBondContact OE1-NE2 3.04Å
88	I	85.9	Confident	87.2	Confident	96 Å²	96	49.5 Å²	49.5	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-52	176.9	-68.7	165.7	0	0	0	110.3	A84 N85 L90 K91 K92	A84-I88 WeakPolarHBondContact O-CG1 3.11Å; A84-I88 PolarHBondContact O-N 2.71Å; N85-I88 PolarHBondContact O-N 2.78Å; I88-L90 PolarHBondContact O-N 2.91Å; I88-K91 PolarHBondContact O-N 3.42Å; I88-K92 WeakPolarHBondContact O-CG 3.44Å; I88-K92 PolarHBondContact O-N 3.18Å
89	L	85.2	Confident	87.7	Confident	36 Å²	36	49.1 Å²	49.1	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-48.2	180	-68.4	176.4	0	0	0	111.7	Y78 I81 N85 A86 K91 K92 L100	Y78-L89 HydrophobicContact CD1-CD1 4.11Å; Y78-L89 HydrophobicContact CE1-CD1 3.93Å; I81-L89 HydrophobicContact CD1-CD1 3.47Å; I81-L89 VanDerWaalsContact CD1-CD1 3.47Å; I81-L89 HydrophobicContact CD1-CG 4.5Å; N85-L89 WeakPolarHBondContact O-CG 3.34Å; N85-L89 PolarHBondContact O-N 3.27Å; A86-L89 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 3.38Å; L89-K92 PolarHBondContact O-N 2.84Å; L89-L100 HydrophobicContact CD1-CD2 4.42Å
90	L	90.5	Very high	88.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-40.6	-179.1	-71.2	176.6	0	0	0	111.7	A86 I88 K92 Q93 A98 L100 S114 K116 V123 I169	A86-L90 WeakPolarHBondContact O-CB 3.38Å; A86-L90 VanDerWaalsContact O-CG 3.25Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 3.49Å; I88-L90 PolarHBondContact O-N 2.91Å; L90-K92 PolarHBondContact O-N 2.78Å; L90-K92 VanDerWaalsContact O-N 3.13Å; L90-Q93 VanDerWaalsContact O-CB 3.27Å; L90-Q93 WeakPolarHBondContact O-CB 3.22Å; L90-Q93 WeakPolarHBondContact O-CG 3.09Å; L90-Q93 PolarHBondContact O-N 3.11Å; L90-A98 HydrophobicContact CD2-CB 4.18Å; L90-A98 WeakPolarHBondContact CD2-O 3.35Å; L90-L100 HydrophobicContact CD1-CD2 4.43Å; L90-L100 HydrophobicContact CD1-CG 4.27Å; L90-L100 HydrophobicContact CD2-CD2 4.39Å; L90-L100 HydrophobicContact CG-CD2 4.14Å; L90-L100 HydrophobicContact CG-CG 4.42Å; L90-S114 WeakPolarHBondContact CD1-O 3.36Å; L90-K116 HydrophobicContact CB-CB 4.29Å; L90-K116 WeakPolarHBondContact O-CD 3.39Å; L90-V123 HydrophobicContact CB-CG2 4.04Å; L90-V123 HydrophobicContact CD1-CG1 3.7Å; L90-I169 HydrophobicContact CD2-CD1 3.75Å; L90-I169 HydrophobicContact CD2-CG1 3.97Å
91	K	87.8	Confident	88.9	Confident	73 Å²	73	40.2 Å²	40.2	32%	0.317	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-23.3	-179.8	-80.7	166.9	179.6	160	0	113.2	E87 I88 L89 Q93 K116 V123	E87-K91 WeakPolarHBondContact O-CB 3.5Å; E87-K91 WeakPolarHBondContact O-CD 3.43Å; E87-K91 WeakPolarHBondContact O-CG 3.37Å; E87-K91 PolarHBondContact O-N 3.4Å; E87-K91 IonicContact OE2-NZ 3.91Å; E87-K91 PolarHBondContact OE2-NZ 2.79Å; I88-K91 PolarHBondContact O-N 3.42Å; L89-K91 PolarHBondContact O-N 3.38Å; K91-Q93 VanDerWaalsContact C-N 3.32Å; K91-K116 PolarHBondContact O-NZ 2.85Å; K91-V123 HydrophobicContact CG-CG2 4.16Å
92	K	84	Confident	89.2	Confident	111 Å²	111	39.9 Å²	39.9	48%	0.483	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.6	174.3	-62.1	-178.6	-175.9	-170.3	0	114.3	I88 L89 L90 E172	I88-K92 WeakPolarHBondContact O-CG 3.44Å; I88-K92 PolarHBondContact O-N 3.18Å; L89-K92 PolarHBondContact O-N 2.84Å; L90-K92 PolarHBondContact O-N 2.78Å; L90-K92 VanDerWaalsContact O-N 3.13Å; K92-E172 WeakPolarHBondContact CD-OE1 3.39Å; K92-E172 WeakPolarHBondContact CE-OE1 2.85Å; K92-E172 IonicContact NZ-OE1 2.82Å; K92-E172 PolarHBondContact NZ-OE1 2.8Å; K92-E172 IonicContact NZ-OE2 2.69Å; K92-E172 PolarHBondContact NZ-OE2 3.36Å
93	Q	86.3	Confident	89.4	Confident	12 Å²	12	39.8 Å²	39.8	6%	0.056	21%	0.206	C	C	.	.			trans	-72.2	138.9	-177.7	-60.6	-66.2	-56.5	0	0	111.3	L90 K91 A98 K116 I169 E170	L90-Q93 VanDerWaalsContact O-CB 3.27Å; L90-Q93 WeakPolarHBondContact O-CB 3.22Å; L90-Q93 WeakPolarHBondContact O-CG 3.09Å; L90-Q93 PolarHBondContact O-N 3.11Å; K91-Q93 VanDerWaalsContact C-N 3.32Å; Q93-A98 HydrophobicContact CB-CB 3.58Å; Q93-A98 HydrophobicContact CG-CB 3.73Å; Q93-K116 HydrophobicContact CB-CD 4.29Å; Q93-K116 WeakPolarHBondContact O-CE 3.24Å; Q93-K116 PolarHBondContact O-NZ 3.08Å; Q93-I169 HydrophobicContact CG-CG2 4.2Å; Q93-E170 PolarHBondContact NE2-O 3.5Å; Q93-E170 PolarHBondContact OE1-O 3.12Å
94	S	84.3	Confident	89.3	Confident	97 Å²	97	34.8 Å²	34.8	68%	0.678	19%	0.188	S	C	*	.	S	Bend	trans	-85.2	-12.2	-175	61	0	0	0	0	113.8
95	H	87.6	Confident	89.1	Confident	22 Å²	22	37.5 Å²	37.5	10%	0.102	19%	0.19	C	C	.	.	S	Bend	trans	-115.6	152.8	-173.1	65.4	81.4	0	0	0	113.5	A98 V118 D168 E170	H95-A98 VanDerWaalsContact CE1-CB 3.46Å; H95-A98 WeakPolarHBondContact CE1-CB 3.25Å; H95-V118 WeakPolarHBondContact O-CG2 3.47Å; H95-D168 PolarHBondContact CE1-O 2.82Å; H95-D168 PolarHBondContact NE2-O 2.83Å; H95-E170 IonicContact CD2-OE1 2.64Å; H95-E170 IonicContact CD2-OE2 2.68Å
96	D	90.4	Very high	89.1	Confident	69 Å²	69	39.5 Å²	39.5	37%	0.369	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	150.3	169.4	-86	-52.2	0	0	0	110.9	A98 Q117 V118	D96-A98 PolarHBondContact O-N 2.88Å; D96-Q117 VanDerWaalsContact OD1-C 3.29Å; D96-Q117 WeakPolarHBondContact OD1-CA 3.23Å; D96-V118 WeakPolarHBondContact OD1-CB 3.34Å; D96-V118 PolarHBondContact OD1-N 3.27Å
97	G	93.4	Very high	88.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-2.7	172.2	0	0	0	0	0	115.3	F99 K116 L165 R167	G97-F99 PolarHBondContact O-N 2.91Å; G97-K116 PolarHBondContact N-O 2.91Å; G97-L165 WeakPolarHBondContact CA-O 3.42Å; G97-R167 PolarHBondContact O-N 3.23Å
98	A	93.6	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-52.5	127.2	169.8	0	0	0	0	0	109	L90 Q93 H95 D96 V115 K116 R167	L90-A98 HydrophobicContact CD2-CB 4.18Å; L90-A98 WeakPolarHBondContact CD2-O 3.35Å; Q93-A98 HydrophobicContact CB-CB 3.58Å; Q93-A98 HydrophobicContact CG-CB 3.73Å; H95-A98 VanDerWaalsContact CE1-CB 3.46Å; H95-A98 WeakPolarHBondContact CE1-CB 3.25Å; D96-A98 PolarHBondContact O-N 2.88Å; A98-V115 CarbonylContact O-C 3.57Å; A98-V115 WeakPolarHBondContact O-CA 3.39Å; A98-K116 HydrophobicContact CB-CB 4.1Å; A98-K116 PolarHBondContact O-N 2.82Å; A98-R167 VanDerWaalsContact CA-O 3.3Å; A98-R167 WeakPolarHBondContact CA-O 3.45Å
99	F	95.7	Very high	88.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161	-172.5	79.3	-78.4	0	0	0	113.7	W76 G97 L113 S114 V115 V150 L166 R167 I169	W76-F99 HydrophobicContact CB-CD2 4.12Å; W76-F99 HydrophobicContact CB-CE1 4.38Å; W76-F99 HydrophobicContact CB-CE2 3.31Å; W76-F99 HydrophobicContact CB-CZ 3.43Å; W76-F99 VanDerWaalsContact CB-CZ 3.43Å; W76-F99 HydrophobicContact CD2-CE2 4.21Å; W76-F99 AromaticContact CG-CE2 3.67Å; W76-F99 HydrophobicContact CG-CE2 3.67Å; W76-F99 AromaticContact CG-CZ 3.73Å; W76-F99 HydrophobicContact CG-CZ 3.73Å; G97-F99 PolarHBondContact O-N 2.91Å; F99-L113 HydrophobicContact CB-CD1 4.06Å; F99-L113 HydrophobicContact CD2-CD1 3.43Å; F99-L113 VanDerWaalsContact CD2-CD1 3.43Å; F99-L113 HydrophobicContact CE2-CD1 4.29Å; F99-L113 HydrophobicContact CG-CD1 4.1Å; F99-S114 WeakPolarHBondContact CA-O 3.2Å; F99-S114 WeakPolarHBondContact CB-O 3.43Å; F99-V115 HydrophobicContact CB-CB 4.36Å; F99-V115 HydrophobicContact CB-CG1 4.21Å; F99-V115 HydrophobicContact CB-CG2 3.97Å; F99-V150 HydrophobicContact CE1-CG1 4.47Å; F99-V150 HydrophobicContact CE2-CG1 3.88Å; F99-V150 HydrophobicContact CE2-CG2 3.87Å; F99-V150 HydrophobicContact CZ-CG1 3.46Å; F99-V150 VanDerWaalsContact CZ-CG1 3.46Å; F99-V150 HydrophobicContact CZ-CG2 4.33Å; F99-L166 HydrophobicContact CB-CD2 3.77Å; F99-L166 HydrophobicContact CD1-CB 3.68Å; F99-L166 HydrophobicContact CD1-CD1 4.42Å; F99-L166 HydrophobicContact CD1-CD2 3.87Å; F99-L166 HydrophobicContact CD1-CG 4.18Å; F99-L166 HydrophobicContact CD2-CD1 4.17Å; F99-L166 HydrophobicContact CD2-CD2 4.22Å; F99-L166 HydrophobicContact CE1-CB 3.71Å; F99-L166 HydrophobicContact CE1-CD1 4.43Å; F99-L166 HydrophobicContact CE1-CG 4.46Å; F99-L166 HydrophobicContact CE2-CD1 4.1Å; F99-L166 HydrophobicContact CG-CB 4.3Å; F99-L166 HydrophobicContact CG-CD1 4.33Å; F99-L166 HydrophobicContact CG-CD2 3.68Å; F99-L166 HydrophobicContact CG-CG 4.31Å; F99-L166 HydrophobicContact CZ-CB 4.3Å; F99-L166 HydrophobicContact CZ-CD1 4.27Å; F99-R167 WeakPolarHBondContact CD1-O 3.48Å; F99-R167 WeakPolarHBondContact CE1-O 3.49Å; F99-R167 PolarHBondContact N-O 3.28Å; F99-I169 WeakPolarHBondContact O-CD1 3.28Å; F99-I169 WeakPolarHBondContact O-CG1 3.4Å
100	L	93.8	Very high	88.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.1	164.2	60.2	84.4	0	0	0	110.5	W76 Y78 I81 A86 L89 L90 R102 S114 I169	W76-L100 CarbonylContact O-C 3.58Å; W76-L100 VanDerWaalsContact O-CA 3.24Å; W76-L100 WeakPolarHBondContact O-CA 3.37Å; Y78-L100 HydrophobicContact CD1-CD2 4.42Å; Y78-L100 HydrophobicContact CD2-CB 3.5Å; Y78-L100 VanDerWaalsContact CD2-CB 3.5Å; Y78-L100 HydrophobicContact CD2-CD2 4.23Å; Y78-L100 HydrophobicContact CD2-CG 4.37Å; Y78-L100 HydrophobicContact CE2-CB 3.88Å; Y78-L100 HydrophobicContact CG-CB 4.15Å; Y78-L100 HydrophobicContact CG-CD2 4.18Å; I81-L100 HydrophobicContact CG2-CD1 4.15Å; A86-L100 HydrophobicContact CB-CD1 3.84Å; A86-L100 HydrophobicContact CB-CD2 4.06Å; A86-L100 HydrophobicContact CB-CG 4.4Å; L89-L100 HydrophobicContact CD1-CD2 4.42Å; L90-L100 HydrophobicContact CD1-CD2 4.43Å; L90-L100 HydrophobicContact CD1-CG 4.27Å; L90-L100 HydrophobicContact CD2-CD2 4.39Å; L90-L100 HydrophobicContact CG-CD2 4.14Å; L90-L100 HydrophobicContact CG-CG 4.42Å; L100-R102 HydrophobicContact CD1-CB 4.03Å; L100-R102 HydrophobicContact CD1-CG 4.26Å; L100-S114 PolarHBondContact N-O 3.03Å; L100-S114 PolarHBondContact O-N 2.8Å; L100-I169 HydrophobicContact CB-CD1 4.12Å; L100-I169 HydrophobicContact CD2-CD1 4.09Å
101	I	94.2	Very high	88.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	168	-64.3	-174	0	0	0	108.2	W76 Y77 Y78 F111 S112 L113 L146 V150	W76-I101 HydrophobicContact CE3-CB 3.68Å; W76-I101 HydrophobicContact CE3-CD1 3.67Å; W76-I101 HydrophobicContact CE3-CG1 3.73Å; W76-I101 HydrophobicContact CH2-CD1 4.31Å; W76-I101 HydrophobicContact CZ3-CB 3.76Å; W76-I101 HydrophobicContact CZ3-CD1 3.49Å; W76-I101 VanDerWaalsContact CZ3-CD1 3.49Å; W76-I101 HydrophobicContact CZ3-CG1 3.93Å; W76-I101 HydrophobicContact CZ3-CG2 4.25Å; W76-I101 PolarHBondContact O-N 3.39Å; Y77-I101 WeakPolarHBondContact CA-O 3.49Å; Y77-I101 HydrophobicContact CD2-CB 4.38Å; Y77-I101 HydrophobicContact CD2-CG2 4.09Å; Y78-I101 PolarHBondContact N-O 3.31Å; I101-F111 HydrophobicContact CG2-CB 3.94Å; I101-F111 HydrophobicContact CG2-CD1 4.22Å; I101-F111 HydrophobicContact CG2-CG 4.32Å; I101-S112 WeakPolarHBondContact CA-O 3.15Å; I101-L113 HydrophobicContact CD1-CD1 4.28Å; I101-L113 HydrophobicContact CG1-CB 4.31Å; I101-L113 HydrophobicContact CG1-CD1 3.68Å; I101-L146 HydrophobicContact CD1-CD2 4.45Å; I101-V150 HydrophobicContact CD1-CG2 3.62Å
102	R	91.5	Very high	88.8	Confident	9 Å²	9	41 Å²	41	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.9	179.4	62.9	-175.3	-175	90.2	-0.7	110.4	G79 I81 L100 E105 F111 S112 S114	G79-R102 CarbonylContact O-C 3.58Å; G79-R102 WeakPolarHBondContact O-CA 3.08Å; I81-R102 HydrophobicContact CG2-CB 3.44Å; I81-R102 VanDerWaalsContact CG2-CB 3.44Å; I81-R102 HydrophobicContact CG2-CG 4.36Å; I81-R102 WeakPolarHBondContact O-CD 3.48Å; L100-R102 HydrophobicContact CD1-CB 4.03Å; L100-R102 HydrophobicContact CD1-CG 4.26Å; R102-E105 IonicContact CZ-OE2 2.86Å; R102-E105 IonicContact NH1-OE2 3.73Å; R102-E105 PolarHBondContact NH1-OE2 2.82Å; R102-E105 IonicContact NH2-OE2 3.96Å; R102-F111 CarbonylContact O-C 3.56Å; R102-F111 WeakPolarHBondContact O-CA 3.21Å; R102-S112 WeakPolarHBondContact CG-O 3.4Å; R102-S112 PolarHBondContact N-O 3.43Å; R102-S112 PolarHBondContact O-N 2.75Å; R102-S114 PolarHBondContact NE-OG 3.03Å
103	E	89.5	Confident	89.3	Confident	41 Å²	41	35.7 Å²	35.7	19%	0.192	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	143	165.4	-70	-176	-141.9	0	0	110.2	G79 R80 E105	G79-E103 PolarHBondContact O-N 3.23Å; R80-E103 HydrophobicContact CG-CG 4.47Å; R80-E103 WeakPolarHBondContact CG-OE1 3.25Å; R80-E103 IonicContact CZ-OE2 3.8Å; R80-E103 IonicContact NE-OE1 3.64Å; R80-E103 IonicContact NE-OE2 2.91Å; R80-E103 IonicContact NH1-OE2 3.7Å; R80-E103 IonicContact NH2-OE1 3.64Å; R80-E103 IonicContact NH2-OE2 3.72Å; R80-E103 PolarHBondContact NH2-OE2 2.95Å; E103-E105 PolarHBondContact O-N 2.84Å
104	S	88.1	Confident	89.8	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.042	22%	0.216	C	C	.	.			trans	-78.4	118.6	179.9	-177.2	0	0	0	0	110.8	S106 C107 D110	S104-S106 VanDerWaalsContact C-N 3.28Å; S104-S106 PolarHBondContact O-N 3.28Å; S104-S106 PolarHBondContact OG-OG 2.86Å; S104-C107 WeakPolarHBondContact CB-O 3.24Å; S104-C107 CarbonylContact O-C 3.54Å; S104-C107 PolarHBondContact O-N 2.83Å; S104-C107 PolarHBondContact OG-N 3.17Å; S104-D110 VanDerWaalsContact CB-O 3.32Å; S104-D110 WeakPolarHBondContact CB-O 3.25Å; S104-D110 PolarHBondContact N-O 2.7Å
105	E	86.3	Confident	90.3	Very high	113 Å²	113	30.5 Å²	30.5	53%	0.528	18%	0.184	S	C	.	.	S	Bend	trans	-65.6	-29.6	177.3	-70.8	165	115.8	0	0	113.1	C82 R83 R102 E103	C82-E105 WeakPolarHBondContact CA-OE1 3.37Å; C82-E105 WeakPolarHBondContact CB-OE1 3.44Å; R83-E105 VanDerWaalsContact CB-OE2 3.22Å; R83-E105 WeakPolarHBondContact CB-OE2 3.39Å; R83-E105 PolarHBondContact N-OE1 2.85Å; R83-E105 PolarHBondContact N-OE2 2.84Å; R102-E105 IonicContact CZ-OE2 2.86Å; R102-E105 IonicContact NH1-OE2 3.73Å; R102-E105 PolarHBondContact NH1-OE2 2.82Å; R102-E105 IonicContact NH2-OE2 3.96Å; E103-E105 PolarHBondContact O-N 2.84Å
106	S	84.1	Confident	90.6	Very high	100 Å²	100	29.9 Å²	29.9	70%	0.699	18%	0.181	S	C	*	.	S	Bend	trans	-90.9	-15.7	-178.5	58.6	0	0	0	0	114.1	S104	S104-S106 VanDerWaalsContact C-N 3.28Å; S104-S106 PolarHBondContact O-N 3.28Å; S104-S106 PolarHBondContact OG-OG 2.86Å
107	C	83.6	Confident	90.5	Very high	39 Å²	39	27.6 Å²	27.6	26%	0.264	17%	0.168	S	C	.	.	S	Bend	trans	-141.5	85.3	-178.3	-60.4	0	0	0	0	108.6	S104 G109 D110 K127	S104-C107 WeakPolarHBondContact CB-O 3.24Å; S104-C107 CarbonylContact O-C 3.54Å; S104-C107 PolarHBondContact O-N 2.83Å; S104-C107 PolarHBondContact OG-N 3.17Å; C107-G109 PolarHBondContact O-N 3.24Å; C107-D110 HydrophobicContact CB-CB 4Å; C107-D110 WeakPolarHBondContact CB-OD2 3.5Å; C107-D110 WeakPolarHBondContact O-CB 3.44Å; C107-D110 PolarHBondContact O-N 3.14Å; C107-K127 PolarHBondContact SG-NZ 2.95Å
108	P	80.3	Confident	89.9	Confident	122 Å²	122	30.3 Å²	30.3	79%	0.792	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	132.4	179.7	-28.7	35.9	0	0	0	112	D110	P108-D110 VanDerWaalsContact C-N 3.34Å
109	G	80	Confident	89.1	Confident	43 Å²	43	34.6 Å²	34.6	44%	0.443	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-10.3	-176.6	0	0	0	0	0	115.4	C107 R130	C107-G109 PolarHBondContact O-N 3.24Å; G109-R130 PolarHBondContact O-NH2 2.88Å
110	D	88.8	Confident	88.4	Confident	32 Å²	32	38.7 Å²	38.7	17%	0.171	24%	0.239	C	C	.	.			trans	-90.9	165.9	167.6	-72.2	-23.6	0	0	0	111.5	S104 C107 P108 K127 R130	S104-D110 VanDerWaalsContact CB-O 3.32Å; S104-D110 WeakPolarHBondContact CB-O 3.25Å; S104-D110 PolarHBondContact N-O 2.7Å; C107-D110 HydrophobicContact CB-CB 4Å; C107-D110 WeakPolarHBondContact CB-OD2 3.5Å; C107-D110 WeakPolarHBondContact O-CB 3.44Å; C107-D110 PolarHBondContact O-N 3.14Å; P108-D110 VanDerWaalsContact C-N 3.34Å; D110-K127 WeakPolarHBondContact OD2-CE 3.45Å; D110-K127 IonicContact OD2-NZ 2.81Å; D110-K127 PolarHBondContact OD2-NZ 3.26Å; D110-R130 IonicContact OD1-CZ 3.76Å; D110-R130 IonicContact OD1-NE 2.62Å; D110-R130 IonicContact OD1-NH2 3.71Å; D110-R130 PolarHBondContact OD1-NH2 3.26Å
111	F	93	Very high	87.6	Confident	32 Å²	32	46.6 Å²	46.6	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	152.6	177.2	-56.3	-76.8	0	0	0	112	Y77 I101 R102 V128 Y136 L146	Y77-F111 AromaticContact CE2-CD1 3.97Å; Y77-F111 HydrophobicContact CE2-CD1 3.97Å; Y77-F111 AromaticContact CE2-CE1 3.72Å; Y77-F111 HydrophobicContact CE2-CE1 3.72Å; I101-F111 HydrophobicContact CG2-CB 3.94Å; I101-F111 HydrophobicContact CG2-CD1 4.22Å; I101-F111 HydrophobicContact CG2-CG 4.32Å; R102-F111 CarbonylContact O-C 3.56Å; R102-F111 WeakPolarHBondContact O-CA 3.21Å; F111-V128 HydrophobicContact CB-CB 3.96Å; F111-V128 HydrophobicContact CB-CG2 4.01Å; F111-V128 PolarHBondContact O-N 3.41Å; F111-Y136 HydrophobicContact CD2-CE1 4.03Å; F111-Y136 AromaticContact CE2-CE1 3.98Å; F111-Y136 HydrophobicContact CE2-CE1 3.98Å; F111-L146 HydrophobicContact CD1-CD1 4.4Å; F111-L146 HydrophobicContact CD2-CD1 3.96Å; F111-L146 HydrophobicContact CD2-CD2 4.31Å; F111-L146 HydrophobicContact CE1-CD1 4.41Å; F111-L146 HydrophobicContact CE2-CD1 3.97Å; F111-L146 HydrophobicContact CG-CD1 4.18Å; F111-L146 HydrophobicContact CZ-CD1 4.19Å
112	S	95.5	Very high	87.4	Confident	12 Å²	12	47.6 Å²	47.6	8%	0.084	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.2	170.2	-69.6	0	0	0	0	109.6	I101 R102 F126	I101-S112 WeakPolarHBondContact CA-O 3.15Å; R102-S112 WeakPolarHBondContact CG-O 3.4Å; R102-S112 PolarHBondContact N-O 3.43Å; R102-S112 PolarHBondContact O-N 2.75Å; S112-F126 CarbonylContact C-O 3.47Å; S112-F126 WeakPolarHBondContact CA-O 3.09Å
113	L	96	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119	171.2	170.6	66.6	0	0	0	108.3	F99 I101 V115 H125 F126 V128 L138 V158 L166	F99-L113 HydrophobicContact CB-CD1 4.06Å; F99-L113 HydrophobicContact CD2-CD1 3.43Å; F99-L113 VanDerWaalsContact CD2-CD1 3.43Å; F99-L113 HydrophobicContact CE2-CD1 4.29Å; F99-L113 HydrophobicContact CG-CD1 4.1Å; I101-L113 HydrophobicContact CD1-CD1 4.28Å; I101-L113 HydrophobicContact CG1-CB 4.31Å; I101-L113 HydrophobicContact CG1-CD1 3.68Å; L113-V115 HydrophobicContact CD1-CG2 4Å; L113-V115 HydrophobicContact CD2-CG2 4.08Å; L113-V115 HydrophobicContact CG-CG2 3.69Å; L113-H125 CarbonylContact O-C 3.56Å; L113-H125 WeakPolarHBondContact O-CA 3.25Å; L113-F126 HydrophobicContact CB-CB 4.34Å; L113-F126 HydrophobicContact CD2-CD2 4.38Å; L113-F126 HydrophobicContact CG-CD2 4.48Å; L113-F126 PolarHBondContact N-O 3.41Å; L113-F126 PolarHBondContact O-N 3.3Å; L113-V128 HydrophobicContact CB-CG2 4.14Å; L113-L138 HydrophobicContact CD2-CD1 3.56Å; L113-L138 HydrophobicContact CD2-CD2 4.21Å; L113-L138 HydrophobicContact CD2-CG 4.49Å; L113-V158 HydrophobicContact CD2-CG1 4.08Å; L113-L166 HydrophobicContact CD1-CD1 4.42Å; L113-L166 HydrophobicContact CD1-CD2 4.33Å; L113-L166 HydrophobicContact CD2-CD1 4.33Å; L113-L166 HydrophobicContact CD2-CD2 4.34Å
114	S	95.9	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.9	177.6	-52	0	0	0	0	108.8	L90 F99 L100 R102 Q124 H125	L90-S114 WeakPolarHBondContact CD1-O 3.36Å; F99-S114 WeakPolarHBondContact CA-O 3.2Å; F99-S114 WeakPolarHBondContact CB-O 3.43Å; L100-S114 PolarHBondContact N-O 3.03Å; L100-S114 PolarHBondContact O-N 2.8Å; R102-S114 PolarHBondContact NE-OG 3.03Å; S114-Q124 CarbonylContact C-O 3.55Å; S114-Q124 WeakPolarHBondContact CA-O 3.44Å; S114-H125 WeakPolarHBondContact CB-ND1 3.38Å; S114-H125 PolarHBondContact OG-ND1 3.38Å
115	V	95.7	Very high	87.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.6	-171.1	-167.1	0	0	0	0	110.2	A98 F99 L113 V123 Q124 F126 V158 I164 L166	A98-V115 CarbonylContact O-C 3.57Å; A98-V115 WeakPolarHBondContact O-CA 3.39Å; F99-V115 HydrophobicContact CB-CB 4.36Å; F99-V115 HydrophobicContact CB-CG1 4.21Å; F99-V115 HydrophobicContact CB-CG2 3.97Å; L113-V115 HydrophobicContact CD1-CG2 4Å; L113-V115 HydrophobicContact CD2-CG2 4.08Å; L113-V115 HydrophobicContact CG-CG2 3.69Å; V115-V123 CarbonylContact O-C 3.56Å; V115-V123 WeakPolarHBondContact O-CA 3.4Å; V115-Q124 PolarHBondContact N-O 2.99Å; V115-Q124 PolarHBondContact O-N 3.25Å; V115-F126 HydrophobicContact CB-CE2 4.41Å; V115-F126 HydrophobicContact CG2-CD2 4.11Å; V115-F126 HydrophobicContact CG2-CE2 4.03Å; V115-V158 HydrophobicContact CG2-CG2 4.38Å; V115-I164 HydrophobicContact CG1-CG2 3.56Å; V115-L166 HydrophobicContact CG1-CD2 4.06Å; V115-L166 HydrophobicContact CG2-CD2 3.81Å
116	K	93.4	Very high	88.3	Confident	9 Å²	9	46 Å²	46	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.3	173.6	176	154.4	177.1	166.3	0	111.1	L90 K91 Q93 G97 A98 V118	L90-K116 HydrophobicContact CB-CB 4.29Å; L90-K116 WeakPolarHBondContact O-CD 3.39Å; K91-K116 PolarHBondContact O-NZ 2.85Å; Q93-K116 HydrophobicContact CB-CD 4.29Å; Q93-K116 WeakPolarHBondContact O-CE 3.24Å; Q93-K116 PolarHBondContact O-NZ 3.08Å; G97-K116 PolarHBondContact N-O 2.91Å; A98-K116 HydrophobicContact CB-CB 4.1Å; A98-K116 PolarHBondContact O-N 2.82Å; K116-V118 HydrophobicContact CD-CG2 4.39Å; K116-V118 HydrophobicContact CG-CG2 4.36Å
117	Q	89.1	Confident	88.7	Confident	22 Å²	22	45.4 Å²	45.4	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	103.1	163.3	-172.8	173.8	40.2	0	0	109.2	D96 S119 T120 Y121 G122 S162 I164	D96-Q117 VanDerWaalsContact OD1-C 3.29Å; D96-Q117 WeakPolarHBondContact OD1-CA 3.23Å; Q117-S119 VanDerWaalsContact C-N 3.27Å; Q117-S119 VanDerWaalsContact CG-OG 3.31Å; Q117-S119 WeakPolarHBondContact CG-OG 3.31Å; Q117-S119 PolarHBondContact O-N 2.9Å; Q117-T120 HydrophobicContact CG-CG2 4.36Å; Q117-T120 PolarHBondContact O-N 2.88Å; Q117-T120 PolarHBondContact O-OG1 2.83Å; Q117-T120 PolarHBondContact OE1-OG1 3.08Å; Q117-Y121 PolarHBondContact O-N 2.63Å; Q117-Y121 VanDerWaalsContact O-N 3.11Å; Q117-G122 PolarHBondContact N-O 3.27Å; Q117-G122 PolarHBondContact O-N 3.44Å; Q117-G122 VanDerWaalsContact O-N 3.09Å; Q117-S162 PolarHBondContact NE2-OG 3.16Å; Q117-I164 HydrophobicContact CB-CD1 4.31Å; Q117-I164 HydrophobicContact CG-CD1 4.29Å
118	V	79.4	Confident	89.3	Confident	56 Å²	56	43.6 Å²	43.6	34%	0.339	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-55.8	-42.6	175.8	174.1	0	0	0	0	110.7	H95 D96 K116 T120 Y121	H95-V118 WeakPolarHBondContact O-CG2 3.47Å; D96-V118 WeakPolarHBondContact OD1-CB 3.34Å; D96-V118 PolarHBondContact OD1-N 3.27Å; K116-V118 HydrophobicContact CD-CG2 4.39Å; K116-V118 HydrophobicContact CG-CG2 4.36Å; V118-T120 PolarHBondContact O-N 3.12Å; V118-Y121 PolarHBondContact O-N 2.95Å
119	S	77.9	Confident	90	Very high	91 Å²	91	41 Å²	41	64%	0.636	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58.3	-25.3	-176.9	73.4	0	0	0	0	113.8	Q117	Q117-S119 VanDerWaalsContact C-N 3.27Å; Q117-S119 VanDerWaalsContact CG-OG 3.31Å; Q117-S119 WeakPolarHBondContact CG-OG 3.31Å; Q117-S119 PolarHBondContact O-N 2.9Å
120	T	80.4	Confident	90.5	Very high	85 Å²	85	44 Å²	44	52%	0.521	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-110.8	0.4	178.1	57.5	0	0	0	0	112.8	Q117 V118 G122	Q117-T120 HydrophobicContact CG-CG2 4.36Å; Q117-T120 PolarHBondContact O-N 2.88Å; Q117-T120 PolarHBondContact O-OG1 2.83Å; Q117-T120 PolarHBondContact OE1-OG1 3.08Å; V118-T120 PolarHBondContact O-N 3.12Å; T120-G122 PolarHBondContact O-N 2.77Å; T120-G122 PolarHBondContact OG1-N 2.8Å
121	Y	78.1	Confident	90.6	Very high	166 Å²	166	44.4 Å²	44.4	65%	0.651	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	20.2	-166.3	-159.8	-103.9	0	0	0	113.2	Q117 V118	Q117-Y121 PolarHBondContact O-N 2.63Å; Q117-Y121 VanDerWaalsContact O-N 3.11Å; V118-Y121 PolarHBondContact O-N 2.95Å
122	G	88.6	Confident	90.4	Very high	22 Å²	22	47.4 Å²	47.4	23%	0.227	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	166.4	-169.7	0	0	0	0	0	112.4	Q117 T120	Q117-G122 PolarHBondContact N-O 3.27Å; Q117-G122 PolarHBondContact O-N 3.44Å; Q117-G122 VanDerWaalsContact O-N 3.09Å; T120-G122 PolarHBondContact O-N 2.77Å; T120-G122 PolarHBondContact OG1-N 2.8Å
123	V	93.2	Very high	90.1	Very high	20 Å²	20	50.7 Å²	50.7	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.8	169.3	178.9	0	0	0	0	107.7	E87 L90 K91 V115	E87-V123 HydrophobicContact CB-CG2 4.35Å; E87-V123 HydrophobicContact CG-CB 3.96Å; E87-V123 HydrophobicContact CG-CG1 4.16Å; E87-V123 HydrophobicContact CG-CG2 4.23Å; L90-V123 HydrophobicContact CB-CG2 4.04Å; L90-V123 HydrophobicContact CD1-CG1 3.7Å; K91-V123 HydrophobicContact CG-CG2 4.16Å; V115-V123 CarbonylContact O-C 3.56Å; V115-V123 WeakPolarHBondContact O-CA 3.4Å
124	Q	93	Very high	89.6	Confident	52 Å²	52	52.1 Å²	52.1	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	144.6	173.9	-64.5	-169.9	41.8	0	0	109.5	S114 V115 F126 I164	S114-Q124 CarbonylContact C-O 3.55Å; S114-Q124 WeakPolarHBondContact CA-O 3.44Å; V115-Q124 PolarHBondContact N-O 2.99Å; V115-Q124 PolarHBondContact O-N 3.25Å; Q124-F126 HydrophobicContact CB-CE2 3.78Å; Q124-F126 HydrophobicContact CB-CZ 3.96Å; Q124-I164 VanDerWaalsContact NE2-CD1 3.32Å
125	H	93.6	Very high	89.4	Confident	39 Å²	39	55.1 Å²	55.1	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.8	-179.9	-54.9	-95.9	0	0	0	109.3	R83 E87 L113 S114	R83-H125 PolarHBondContact NE-NE2 2.85Å; R83-H125 PolarHBondContact NH2-CD2 2.76Å; R83-H125 PolarHBondContact NH2-NE2 2.82Å; E87-H125 IonicContact OE1-CE1 3.62Å; E87-H125 IonicContact OE1-NE2 2.88Å; E87-H125 PolarHBondContact OE1-NE2 3.04Å; L113-H125 CarbonylContact O-C 3.56Å; L113-H125 WeakPolarHBondContact O-CA 3.25Å; S114-H125 WeakPolarHBondContact CB-ND1 3.38Å; S114-H125 PolarHBondContact OG-ND1 3.38Å
126	F	94.1	Very high	89.4	Confident	24 Å²	24	55.8 Å²	55.8	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	178.6	-55.7	-85.7	0	0	0	108.9	S112 L113 V115 Q124 V128 L138 W139 V158	S112-F126 CarbonylContact C-O 3.47Å; S112-F126 WeakPolarHBondContact CA-O 3.09Å; L113-F126 HydrophobicContact CB-CB 4.34Å; L113-F126 HydrophobicContact CD2-CD2 4.38Å; L113-F126 HydrophobicContact CG-CD2 4.48Å; L113-F126 PolarHBondContact N-O 3.41Å; L113-F126 PolarHBondContact O-N 3.3Å; V115-F126 HydrophobicContact CB-CE2 4.41Å; V115-F126 HydrophobicContact CG2-CD2 4.11Å; V115-F126 HydrophobicContact CG2-CE2 4.03Å; Q124-F126 HydrophobicContact CB-CE2 3.78Å; Q124-F126 HydrophobicContact CB-CZ 3.96Å; F126-V128 PolarHBondContact O-N 3.09Å; F126-L138 HydrophobicContact CB-CD2 4.02Å; F126-W139 HydrophobicContact CD1-CZ2 4.12Å; F126-W139 AromaticContact CE1-CZ2 3.99Å; F126-W139 HydrophobicContact CE1-CZ2 3.99Å; F126-V158 HydrophobicContact CE2-CB 4.35Å; F126-V158 HydrophobicContact CE2-CG2 3.9Å; F126-V158 HydrophobicContact CZ-CG2 4.15Å
127	K	93.7	Very high	89.5	Confident	87 Å²	87	57 Å²	57	38%	0.378	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.1	169.7	-173	171.9	-179.7	176	0	108.3	C107 D110 L129	C107-K127 PolarHBondContact SG-NZ 2.95Å; D110-K127 WeakPolarHBondContact OD2-CE 3.45Å; D110-K127 IonicContact OD2-NZ 2.81Å; D110-K127 PolarHBondContact OD2-NZ 3.26Å; K127-L129 HydrophobicContact CD-CD2 3.95Å; K127-L129 HydrophobicContact CG-CD2 3.99Å; K127-L129 PolarHBondContact O-N 3.11Å
128	V	95.5	Very high	89.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.6	170.6	-174.1	0	0	0	0	107.3	F111 L113 F126 Y136 L138 L146 L149	F111-V128 HydrophobicContact CB-CB 3.96Å; F111-V128 HydrophobicContact CB-CG2 4.01Å; F111-V128 PolarHBondContact O-N 3.41Å; L113-V128 HydrophobicContact CB-CG2 4.14Å; F126-V128 PolarHBondContact O-N 3.09Å; V128-Y136 HydrophobicContact CG1-CD1 3.9Å; V128-Y136 HydrophobicContact CG1-CG 4.5Å; V128-L138 HydrophobicContact CG2-CD2 4Å; V128-L146 HydrophobicContact CG1-CD2 3.85Å; V128-L149 HydrophobicContact CG1-CD1 3.98Å
129	L	94.6	Very high	90.4	Very high	67 Å²	67	58 Å²	58	35%	0.351	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	155.5	-179.1	-59.5	175	0	0	0	110.4	K127 Y136 F137	K127-L129 HydrophobicContact CD-CD2 3.95Å; K127-L129 HydrophobicContact CG-CD2 3.99Å; K127-L129 PolarHBondContact O-N 3.11Å; L129-Y136 CarbonylContact O-C 3.42Å; L129-Y136 VanDerWaalsContact O-CA 3.32Å; L129-Y136 WeakPolarHBondContact O-CA 3.2Å; L129-F137 HydrophobicContact CB-CD1 4.19Å; L129-F137 HydrophobicContact CB-CD2 4Å; L129-F137 HydrophobicContact CB-CE1 3.81Å; L129-F137 HydrophobicContact CB-CE2 3.63Å; L129-F137 HydrophobicContact CB-CG 4.28Å; L129-F137 HydrophobicContact CB-CZ 3.52Å; L129-F137 HydrophobicContact CD1-CD2 4.2Å; L129-F137 HydrophobicContact CD1-CE2 3.55Å; L129-F137 HydrophobicContact CD1-CZ 4.05Å; L129-F137 HydrophobicContact CG-CE2 4.23Å; L129-F137 HydrophobicContact CG-CZ 4.45Å; L129-F137 PolarHBondContact N-O 3.24Å; L129-F137 PolarHBondContact O-N 2.98Å
130	R	91.8	Very high	91	Very high	107 Å²	107	59.4 Å²	59.4	40%	0.404	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.5	171.2	-72.6	179.5	-70.6	-167.1	-6.7	109.9	G109 D110 K135 Y136	G109-R130 PolarHBondContact O-NH2 2.88Å; D110-R130 IonicContact OD1-CZ 3.76Å; D110-R130 IonicContact OD1-NE 2.62Å; D110-R130 IonicContact OD1-NH2 3.71Å; D110-R130 PolarHBondContact OD1-NH2 3.26Å; R130-K135 VanDerWaalsContact CA-O 3.28Å; R130-K135 WeakPolarHBondContact CA-O 3.48Å; R130-Y136 HydrophobicContact CG-CD1 3.72Å; R130-Y136 HydrophobicContact CG-CE1 3.75Å
131	D	91.2	Very high	91.7	Very high	40 Å²	40	58.4 Å²	58.4	21%	0.214	32%	0.321	C	S	.	.			trans	-90.1	179.6	171.7	77.9	1.9	0	0	0	111.8	S133 G134 K135 F137 K142	D131-S133 PolarHBondContact O-N 3.01Å; D131-S133 VanDerWaalsContact O-N 3.11Å; D131-S133 WeakPolarHBondContact OD1-CA 3.42Å; D131-S133 WeakPolarHBondContact OD1-CB 3.38Å; D131-S133 PolarHBondContact OD1-N 2.89Å; D131-S133 PolarHBondContact OD1-OG 2.93Å; D131-S133 PolarHBondContact OD2-OG 3.22Å; D131-G134 PolarHBondContact O-N 3.43Å; D131-G134 PolarHBondContact OD1-N 3.35Å; D131-G134 VanDerWaalsContact OD1-N 3.15Å; D131-K135 PolarHBondContact N-O 3.02Å; D131-K135 VanDerWaalsContact N-O 3.11Å; D131-K135 PolarHBondContact OD1-N 3.44Å; D131-K135 VanDerWaalsContact OD1-N 3.08Å; D131-F137 HydrophobicContact CB-CE1 4Å; D131-K142 WeakPolarHBondContact OD2-CD 3.3Å; D131-K142 WeakPolarHBondContact OD2-CE 3.39Å; D131-K142 IonicContact OD2-NZ 2.74Å; D131-K142 PolarHBondContact OD2-NZ 3.41Å
132	G	88.2	Confident	92.6	Very high	95 Å²	95	55.5 Å²	55.5	98%	0.979	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.9	179.8	0	0	0	0	0	114.8
133	S	88.7	Confident	92.9	Very high	81 Å²	81	55.2 Å²	55.2	57%	0.566	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.6	172.5	64.6	0	0	0	0	113.4	D131 K135	D131-S133 PolarHBondContact O-N 3.01Å; D131-S133 VanDerWaalsContact O-N 3.11Å; D131-S133 WeakPolarHBondContact OD1-CA 3.42Å; D131-S133 WeakPolarHBondContact OD1-CB 3.38Å; D131-S133 PolarHBondContact OD1-N 2.89Å; D131-S133 PolarHBondContact OD1-OG 2.93Å; D131-S133 PolarHBondContact OD2-OG 3.22Å; S133-K135 WeakPolarHBondContact OG-CG 3.48Å
134	G	85.9	Confident	92.8	Very high	31 Å²	31	59.6 Å²	59.6	32%	0.32	32%	0.323	S	S	.	.			trans	86.5	5.8	-179.5	0	0	0	0	0	114.7	D131	D131-G134 PolarHBondContact O-N 3.43Å; D131-G134 PolarHBondContact OD1-N 3.35Å; D131-G134 VanDerWaalsContact OD1-N 3.15Å
135	K	92.1	Very high	92.8	Very high	63 Å²	63	57.3 Å²	57.3	27%	0.274	31%	0.313	S	S	.	.			trans	-74.5	139.1	-179.9	-63.9	-173.9	-167	-154	0	111.6	R130 D131 S133 K142 F143 E144	R130-K135 VanDerWaalsContact CA-O 3.28Å; R130-K135 WeakPolarHBondContact CA-O 3.48Å; D131-K135 PolarHBondContact N-O 3.02Å; D131-K135 VanDerWaalsContact N-O 3.11Å; D131-K135 PolarHBondContact OD1-N 3.44Å; D131-K135 VanDerWaalsContact OD1-N 3.08Å; S133-K135 WeakPolarHBondContact OG-CG 3.48Å; K135-K142 HydrophobicContact CB-CB 4.12Å; K135-K142 HydrophobicContact CD-CB 4.4Å; K135-F143 CarbonylContact C-O 3.56Å; K135-F143 VanDerWaalsContact CA-O 3.28Å; K135-F143 WeakPolarHBondContact CA-O 3.27Å; K135-F143 WeakPolarHBondContact CB-O 3.49Å; K135-E144 WeakPolarHBondContact CE-OE1 3.49Å; K135-E144 IonicContact NZ-OE1 2.7Å; K135-E144 PolarHBondContact NZ-OE1 3.3Å
136	Y	94.5	Very high	92.7	Very high	13 Å²	13	56 Å²	56	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.7	-176.6	-59.1	-86	0	0	0	111.9	F111 V128 L129 R130 K142 F143 L146	F111-Y136 HydrophobicContact CD2-CE1 4.03Å; F111-Y136 AromaticContact CE2-CE1 3.98Å; F111-Y136 HydrophobicContact CE2-CE1 3.98Å; V128-Y136 HydrophobicContact CG1-CD1 3.9Å; V128-Y136 HydrophobicContact CG1-CG 4.5Å; L129-Y136 CarbonylContact O-C 3.42Å; L129-Y136 VanDerWaalsContact O-CA 3.32Å; L129-Y136 WeakPolarHBondContact O-CA 3.2Å; R130-Y136 HydrophobicContact CG-CD1 3.72Å; R130-Y136 HydrophobicContact CG-CE1 3.75Å; Y136-K142 CarbonylContact O-C 3.54Å; Y136-K142 WeakPolarHBondContact O-CA 3.46Å; Y136-F143 PolarHBondContact N-O 2.91Å; Y136-F143 WeakPolarHBondContact O-CD2 3.46Å; Y136-F143 PolarHBondContact O-N 3.24Å; Y136-L146 HydrophobicContact CD1-CD2 3.55Å; Y136-L146 HydrophobicContact CD1-CG 4.14Å; Y136-L146 HydrophobicContact CE1-CD2 3.93Å; Y136-L146 HydrophobicContact CE1-CG 4.1Å; Y136-L146 HydrophobicContact CE2-CG 4.49Å; Y136-L146 HydrophobicContact CG-CD2 3.87Å; Y136-L146 HydrophobicContact CG-CG 4.33Å
137	F	95.8	Very high	92.6	Very high	35 Å²	35	55.6 Å²	55.6	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152.8	172.8	60.3	-80.2	0	0	0	112.4	L129 D131 W139 V141 K142	L129-F137 HydrophobicContact CB-CD1 4.19Å; L129-F137 HydrophobicContact CB-CD2 4Å; L129-F137 HydrophobicContact CB-CE1 3.81Å; L129-F137 HydrophobicContact CB-CE2 3.63Å; L129-F137 HydrophobicContact CB-CG 4.28Å; L129-F137 HydrophobicContact CB-CZ 3.52Å; L129-F137 HydrophobicContact CD1-CD2 4.2Å; L129-F137 HydrophobicContact CD1-CE2 3.55Å; L129-F137 HydrophobicContact CD1-CZ 4.05Å; L129-F137 HydrophobicContact CG-CE2 4.23Å; L129-F137 HydrophobicContact CG-CZ 4.45Å; L129-F137 PolarHBondContact N-O 3.24Å; L129-F137 PolarHBondContact O-N 2.98Å; D131-F137 HydrophobicContact CB-CE1 4Å; F137-W139 WeakPolarHBondContact CD2-O 3.21Å; F137-V141 WeakPolarHBondContact CB-O 3.41Å; F137-K142 HydrophobicContact CB-CG 4.13Å; F137-K142 HydrophobicContact CD1-CG 4.08Å; F137-K142 HydrophobicContact CG-CG 4.23Å
138	L	94.4	Very high	92.6	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.047	31%	0.308	C	S	.	.	S	Bend	trans	-94	-34.5	165.2	-57.7	-177.9	0	0	0	111.4	L113 F126 V128 L149 V158	L113-L138 HydrophobicContact CD2-CD1 3.56Å; L113-L138 HydrophobicContact CD2-CD2 4.21Å; L113-L138 HydrophobicContact CD2-CG 4.49Å; F126-L138 HydrophobicContact CB-CD2 4.02Å; V128-L138 HydrophobicContact CG2-CD2 4Å; L138-L149 HydrophobicContact CD1-CD2 4.41Å; L138-L149 HydrophobicContact CD2-CD1 4.43Å; L138-L149 HydrophobicContact CG-CD1 4.27Å; L138-L149 HydrophobicContact CG-CD2 4.3Å; L138-V158 HydrophobicContact CD1-CB 4.11Å; L138-V158 HydrophobicContact CD1-CG1 3.93Å
139	W	93.4	Very high	92.7	Very high	89 Å²	89	55.8 Å²	55.8	34%	0.337	31%	0.308	S	S	.	.	S	Bend	trans	-137.9	-102.7	-171.7	-54.8	116.9	0	0	0	112.7	F126 F137 V158 R160	F126-W139 HydrophobicContact CD1-CZ2 4.12Å; F126-W139 AromaticContact CE1-CZ2 3.99Å; F126-W139 HydrophobicContact CE1-CZ2 3.99Å; F137-W139 WeakPolarHBondContact CD2-O 3.21Å; W139-V158 PolarHBondContact NE1-O 3.28Å; W139-R160 HydrophobicContact CD2-CG 4.21Å; W139-R160 VanDerWaalsContact CE3-NE 3.32Å; W139-R160 VanDerWaalsContact CE3-NH1 3.27Å; W139-R160 HydrophobicContact CH2-CG 4.23Å; W139-R160 HydrophobicContact CZ2-CG 3.89Å
140	V	91.3	Very high	92.7	Very high	121 Å²	121	52.6 Å²	52.6	73%	0.733	29%	0.291	S	S	*	.	S	Bend	trans	-103.4	-42.3	-173.6	-176.2	0	0	0	0	111.3
141	V	94.8	Very high	92.9	Very high	65 Å²	65	51.7 Å²	51.7	39%	0.394	30%	0.295	S	S	.	.			trans	-76.1	132.1	-179	-170.9	0	0	0	0	109.5	F137 F143	F137-V141 WeakPolarHBondContact CB-O 3.41Å; V141-F143 HydrophobicContact CB-CE2 4.18Å; V141-F143 HydrophobicContact CB-CZ 3.83Å; V141-F143 HydrophobicContact CG1-CE1 3.69Å; V141-F143 HydrophobicContact CG1-CE2 4.08Å; V141-F143 HydrophobicContact CG1-CZ 3.39Å; V141-F143 WeakPolarHBondContact O-CE2 3.27Å
142	K	96	Very high	93.1	Very high	105 Å²	105	54.4 Å²	54.4	46%	0.457	30%	0.303	S	S	.	.			trans	-112.9	144.7	-177.5	-58.9	179.2	177.1	-176.3	0	110.7	D131 K135 Y136 F137	D131-K142 WeakPolarHBondContact OD2-CD 3.3Å; D131-K142 WeakPolarHBondContact OD2-CE 3.39Å; D131-K142 IonicContact OD2-NZ 2.74Å; D131-K142 PolarHBondContact OD2-NZ 3.41Å; K135-K142 HydrophobicContact CB-CB 4.12Å; K135-K142 HydrophobicContact CD-CB 4.4Å; Y136-K142 CarbonylContact O-C 3.54Å; Y136-K142 WeakPolarHBondContact O-CA 3.46Å; F137-K142 HydrophobicContact CB-CG 4.13Å; F137-K142 HydrophobicContact CD1-CG 4.08Å; F137-K142 HydrophobicContact CG-CG 4.23Å
143	F	95.8	Very high	93.5	Very high	16 Å²	16	50.3 Å²	50.3	7%	0.07	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-128.8	145.8	-172.4	-54.7	-77.7	0	0	0	110.5	K135 Y136 V141 S145 E148 L149 Y152	K135-F143 CarbonylContact C-O 3.56Å; K135-F143 VanDerWaalsContact CA-O 3.28Å; K135-F143 WeakPolarHBondContact CA-O 3.27Å; K135-F143 WeakPolarHBondContact CB-O 3.49Å; Y136-F143 PolarHBondContact N-O 2.91Å; Y136-F143 WeakPolarHBondContact O-CD2 3.46Å; Y136-F143 PolarHBondContact O-N 3.24Å; V141-F143 HydrophobicContact CB-CE2 4.18Å; V141-F143 HydrophobicContact CB-CZ 3.83Å; V141-F143 HydrophobicContact CG1-CE1 3.69Å; V141-F143 HydrophobicContact CG1-CE2 4.08Å; V141-F143 HydrophobicContact CG1-CZ 3.39Å; V141-F143 WeakPolarHBondContact O-CE2 3.27Å; F143-S145 WeakPolarHBondContact CB-O 2.96Å; F143-S145 PolarHBondContact O-N 2.86Å; F143-E148 HydrophobicContact CB-CB 3.89Å; F143-E148 HydrophobicContact CD1-CB 4.04Å; F143-E148 HydrophobicContact CG-CB 4.32Å; F143-L149 HydrophobicContact CB-CB 4.12Å; F143-L149 HydrophobicContact CD2-CB 3.53Å; F143-L149 HydrophobicContact CD2-CD1 4.05Å; F143-L149 HydrophobicContact CD2-CG 3.79Å; F143-L149 HydrophobicContact CE2-CB 4.15Å; F143-L149 HydrophobicContact CE2-CG 4.06Å; F143-L149 HydrophobicContact CG-CB 3.88Å; F143-Y152 VanDerWaalsContact CE1-CB 3.45Å; F143-Y152 HydrophobicContact CE1-CD1 4.1Å; F143-Y152 AromaticContact CE1-CD2 3.94Å; F143-Y152 HydrophobicContact CE1-CD2 3.94Å; F143-Y152 AromaticContact CE1-CG 3.56Å; F143-Y152 HydrophobicContact CE1-CG 3.56Å; F143-Y152 HydrophobicContact CE2-CD1 4.35Å; F143-Y152 AromaticContact CZ-CD1 3.43Å; F143-Y152 HydrophobicContact CZ-CD1 3.43Å; F143-Y152 VanDerWaalsContact CZ-CD1 3.43Å; F143-Y152 HydrophobicContact CZ-CD2 4.04Å; F143-Y152 HydrophobicContact CZ-CE1 4.07Å; F143-Y152 AromaticContact CZ-CG 3.4Å; F143-Y152 HydrophobicContact CZ-CG 3.4Å; F143-Y152 VanDerWaalsContact CZ-CG 3.4Å
144	E	91.3	Very high	93.9	Very high	111 Å²	111	49.6 Å²	49.6	52%	0.519	24%	0.243	S	C	.	.	S	Bend	trans	-69.9	-24.5	176.9	-59.5	-61	158.9	0	0	110.9	K135 E148	K135-E144 WeakPolarHBondContact CE-OE1 3.49Å; K135-E144 IonicContact NZ-OE1 2.7Å; K135-E144 PolarHBondContact NZ-OE1 3.3Å; E144-E148 PolarHBondContact N-OE2 3.1Å
145	S	91.4	Very high	94.3	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	26%	0.261	C	S	.	.	S	Bend	trans	-143.6	164.7	180	86.7	0	0	0	0	115.7	E2 F143 N147 E148 L149	E2-S145 WeakPolarHBondContact OE1-CB 3.29Å; E2-S145 PolarHBondContact OE1-OG 2.84Å; E2-S145 WeakPolarHBondContact OE2-CB 3.18Å; E2-S145 PolarHBondContact OE2-OG 3.31Å; F143-S145 WeakPolarHBondContact CB-O 2.96Å; F143-S145 PolarHBondContact O-N 2.86Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 3.38Å; S145-N147 PolarHBondContact OG-N 3.39Å; S145-E148 PolarHBondContact O-N 3.37Å; S145-E148 PolarHBondContact OG-N 3.34Å; S145-L149 PolarHBondContact O-N 2.64Å; S145-L149 VanDerWaalsContact O-N 3.08Å
146	L	92.4	Very high	94.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-35.5	171.6	-67.5	177.5	0	0	0	111.6	W76 I101 F111 V128 Y136 L149 V150	W76-L146 HydrophobicContact CH2-CB 3.57Å; W76-L146 HydrophobicContact CH2-CD1 4.4Å; W76-L146 HydrophobicContact CZ2-CB 4.47Å; W76-L146 HydrophobicContact CZ3-CB 4.21Å; W76-L146 HydrophobicContact CZ3-CD1 4.46Å; I101-L146 HydrophobicContact CD1-CD2 4.45Å; F111-L146 HydrophobicContact CD1-CD1 4.4Å; F111-L146 HydrophobicContact CD2-CD1 3.96Å; F111-L146 HydrophobicContact CD2-CD2 4.31Å; F111-L146 HydrophobicContact CE1-CD1 4.41Å; F111-L146 HydrophobicContact CE2-CD1 3.97Å; F111-L146 HydrophobicContact CG-CD1 4.18Å; F111-L146 HydrophobicContact CZ-CD1 4.19Å; V128-L146 HydrophobicContact CG1-CD2 3.85Å; Y136-L146 HydrophobicContact CD1-CD2 3.55Å; Y136-L146 HydrophobicContact CD1-CG 4.14Å; Y136-L146 HydrophobicContact CE1-CD2 3.93Å; Y136-L146 HydrophobicContact CE1-CG 4.1Å; Y136-L146 HydrophobicContact CE2-CG 4.49Å; Y136-L146 HydrophobicContact CG-CD2 3.87Å; Y136-L146 HydrophobicContact CG-CG 4.33Å; L146-L149 PolarHBondContact O-N 2.74Å; L146-V150 WeakPolarHBondContact O-CB 3.2Å; L146-V150 VanDerWaalsContact O-CG2 3.27Å; L146-V150 WeakPolarHBondContact O-CG2 3.13Å; L146-V150 PolarHBondContact O-N 2.86Å
147	N	92.2	Very high	94.4	Very high	14 Å²	14	52 Å²	52	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-43.8	176.3	-76.2	76.8	0	0	0	111.5	E2 D73 W76 S145 V150 N151	E2-N147 WeakPolarHBondContact OE2-CB 3.35Å; E2-N147 PolarHBondContact OE2-OD1 2.88Å; E2-N147 VanDerWaalsContact OE2-OD1 3.14Å; D73-N147 PolarHBondContact O-ND2 3.34Å; W76-N147 HydrophobicContact CZ2-CB 4.5Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 3.38Å; S145-N147 PolarHBondContact OG-N 3.39Å; N147-V150 PolarHBondContact O-N 3.42Å; N147-N151 VanDerWaalsContact O-CB 3.29Å; N147-N151 WeakPolarHBondContact O-CB 3.19Å; N147-N151 PolarHBondContact O-N 3.5Å; N147-N151 PolarHBondContact O-ND2 2.97Å
148	E	94.6	Very high	94.3	Very high	92 Å²	92	50.4 Å²	50.4	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-44.6	174.9	-74.3	-177.3	-179	0	0	112	F143 E144 S145 V150 N151 Y152	F143-E148 HydrophobicContact CB-CB 3.89Å; F143-E148 HydrophobicContact CD1-CB 4.04Å; F143-E148 HydrophobicContact CG-CB 4.32Å; E144-E148 PolarHBondContact N-OE2 3.1Å; S145-E148 PolarHBondContact O-N 3.37Å; S145-E148 PolarHBondContact OG-N 3.34Å; E148-V150 VanDerWaalsContact C-N 3.34Å; E148-V150 PolarHBondContact O-N 3.34Å; E148-N151 PolarHBondContact O-N 3.08Å; E148-Y152 WeakPolarHBondContact O-CB 3.39Å; E148-Y152 PolarHBondContact O-N 2.84Å
149	L	96.3	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-48.4	175.5	-178.4	156.4	0	0	0	111.1	V128 L138 F143 S145 L146 H153	V128-L149 HydrophobicContact CG1-CD1 3.98Å; L138-L149 HydrophobicContact CD1-CD2 4.41Å; L138-L149 HydrophobicContact CD2-CD1 4.43Å; L138-L149 HydrophobicContact CG-CD1 4.27Å; L138-L149 HydrophobicContact CG-CD2 4.3Å; F143-L149 HydrophobicContact CB-CB 4.12Å; F143-L149 HydrophobicContact CD2-CB 3.53Å; F143-L149 HydrophobicContact CD2-CD1 4.05Å; F143-L149 HydrophobicContact CD2-CG 3.79Å; F143-L149 HydrophobicContact CE2-CB 4.15Å; F143-L149 HydrophobicContact CE2-CG 4.06Å; F143-L149 HydrophobicContact CG-CB 3.88Å; S145-L149 PolarHBondContact O-N 2.64Å; S145-L149 VanDerWaalsContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 2.74Å; L149-H153 WeakPolarHBondContact O-CB 3.47Å; L149-H153 PolarHBondContact O-CD2 3.34Å; L149-H153 VanDerWaalsContact O-CD2 3.26Å; L149-H153 PolarHBondContact O-N 3.45Å; L149-H153 VanDerWaalsContact O-N 3.1Å
150	V	95.6	Very high	93.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-50.5	178.7	165.4	0	0	0	0	110.2	W76 F99 I101 L146 N147 E148 Y152 H153 R154 L166	W76-V150 HydrophobicContact CD2-CG2 3.93Å; W76-V150 HydrophobicContact CE3-CG2 4.13Å; W76-V150 HydrophobicContact CG-CG1 4.38Å; W76-V150 HydrophobicContact CG-CG2 4.5Å; W76-V150 HydrophobicContact CH2-CG2 4.31Å; W76-V150 HydrophobicContact CZ2-CG2 4.08Å; W76-V150 HydrophobicContact CZ3-CG2 4.34Å; F99-V150 HydrophobicContact CE1-CG1 4.47Å; F99-V150 HydrophobicContact CE2-CG1 3.88Å; F99-V150 HydrophobicContact CE2-CG2 3.87Å; F99-V150 HydrophobicContact CZ-CG1 3.46Å; F99-V150 VanDerWaalsContact CZ-CG1 3.46Å; F99-V150 HydrophobicContact CZ-CG2 4.33Å; I101-V150 HydrophobicContact CD1-CG2 3.62Å; L146-V150 WeakPolarHBondContact O-CB 3.2Å; L146-V150 VanDerWaalsContact O-CG2 3.27Å; L146-V150 WeakPolarHBondContact O-CG2 3.13Å; L146-V150 PolarHBondContact O-N 2.86Å; N147-V150 PolarHBondContact O-N 3.42Å; E148-V150 VanDerWaalsContact C-N 3.34Å; E148-V150 PolarHBondContact O-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.13Å; V150-H153 CarbonylContact O-C 3.57Å; V150-H153 PolarHBondContact O-N 3.34Å; V150-H153 VanDerWaalsContact O-N 3.08Å; V150-R154 WeakPolarHBondContact O-CG 3.39Å; V150-R154 PolarHBondContact O-N 3.33Å; V150-R154 VanDerWaalsContact O-N 3.1Å; V150-L166 HydrophobicContact CG1-CD1 4.46Å; V150-L166 HydrophobicContact CG2-CD1 4.49Å
151	N	95.1	Very high	93.4	Very high	89 Å²	89	55.2 Å²	55.2	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-41.4	-177.9	-73.5	-20.3	0	0	0	112.5	N147 E148 H153 R154	N147-N151 VanDerWaalsContact O-CB 3.29Å; N147-N151 WeakPolarHBondContact O-CB 3.19Å; N147-N151 PolarHBondContact O-N 3.5Å; N147-N151 PolarHBondContact O-ND2 2.97Å; E148-N151 PolarHBondContact O-N 3.08Å; N151-H153 VanDerWaalsContact C-N 3.3Å; N151-H153 PolarHBondContact O-N 3.48Å; N151-R154 WeakPolarHBondContact O-CB 3.45Å; N151-R154 PolarHBondContact O-N 3.01Å
152	Y	96.3	Very high	92.9	Very high	96 Å²	96	53.7 Å²	53.7	38%	0.376	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-45.1	173.2	176.1	-94.3	0	0	0	111.3	F143 E148 V150 R154 S155 A156	F143-Y152 VanDerWaalsContact CE1-CB 3.45Å; F143-Y152 HydrophobicContact CE1-CD1 4.1Å; F143-Y152 AromaticContact CE1-CD2 3.94Å; F143-Y152 HydrophobicContact CE1-CD2 3.94Å; F143-Y152 AromaticContact CE1-CG 3.56Å; F143-Y152 HydrophobicContact CE1-CG 3.56Å; F143-Y152 HydrophobicContact CE2-CD1 4.35Å; F143-Y152 AromaticContact CZ-CD1 3.43Å; F143-Y152 HydrophobicContact CZ-CD1 3.43Å; F143-Y152 VanDerWaalsContact CZ-CD1 3.43Å; F143-Y152 HydrophobicContact CZ-CD2 4.04Å; F143-Y152 HydrophobicContact CZ-CE1 4.07Å; F143-Y152 AromaticContact CZ-CG 3.4Å; F143-Y152 HydrophobicContact CZ-CG 3.4Å; F143-Y152 VanDerWaalsContact CZ-CG 3.4Å; E148-Y152 WeakPolarHBondContact O-CB 3.39Å; E148-Y152 PolarHBondContact O-N 2.84Å; V150-Y152 PolarHBondContact O-N 3.13Å; Y152-R154 PolarHBondContact O-N 3.02Å; Y152-S155 PolarHBondContact O-N 3.36Å; Y152-S155 PolarHBondContact O-OG 3.15Å; Y152-A156 HydrophobicContact CD1-CB 3.94Å; Y152-A156 HydrophobicContact CE1-CB 3.43Å; Y152-A156 VanDerWaalsContact CE1-CB 3.43Å; Y152-A156 HydrophobicContact CE2-CB 4.28Å; Y152-A156 PolarHBondContact O-N 3.46Å
153	H	96.7	Very high	92.5	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-78.2	-2.6	-176.5	-78.5	-59.9	0	0	0	115	L149 V150 N151 S155 A156 S157 V158 L166	L149-H153 WeakPolarHBondContact O-CB 3.47Å; L149-H153 PolarHBondContact O-CD2 3.34Å; L149-H153 VanDerWaalsContact O-CD2 3.26Å; L149-H153 PolarHBondContact O-N 3.45Å; L149-H153 VanDerWaalsContact O-N 3.1Å; V150-H153 CarbonylContact O-C 3.57Å; V150-H153 PolarHBondContact O-N 3.34Å; V150-H153 VanDerWaalsContact O-N 3.08Å; N151-H153 VanDerWaalsContact C-N 3.3Å; N151-H153 PolarHBondContact O-N 3.48Å; H153-S155 VanDerWaalsContact C-N 3.29Å; H153-A156 CarbonylContact C-O 3.57Å; H153-A156 WeakPolarHBondContact CA-O 3.44Å; H153-A156 PolarHBondContact ND1-O 2.85Å; H153-A156 VanDerWaalsContact O-O 3.06Å; H153-S157 PolarHBondContact CE1-O 2.86Å; H153-S157 PolarHBondContact ND1-O 3.31Å; H153-V158 HydrophobicContact CB-CG1 3.59Å; H153-L166 HydrophobicContact CB-CD1 3.55Å; H153-L166 HydrophobicContact CB-CG 3.77Å; H153-L166 PolarHBondContact O-N 3.37Å
154	R	95.6	Very high	92.2	Very high	66 Å²	66	53.3 Å²	53.3	25%	0.249	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.6	165.9	-66.7	179.7	-174.8	-81.8	0.1	112.5	V150 N151 Y152 L166 D168	V150-R154 WeakPolarHBondContact O-CG 3.39Å; V150-R154 PolarHBondContact O-N 3.33Å; V150-R154 VanDerWaalsContact O-N 3.1Å; N151-R154 WeakPolarHBondContact O-CB 3.45Å; N151-R154 PolarHBondContact O-N 3.01Å; Y152-R154 PolarHBondContact O-N 3.02Å; R154-L166 HydrophobicContact CG-CB 4.26Å; R154-D168 IonicContact CZ-OD1 3.89Å; R154-D168 IonicContact CZ-OD2 3.54Å; R154-D168 IonicContact NH1-OD1 3.23Å; R154-D168 PolarHBondContact NH1-OD1 3.01Å; R154-D168 IonicContact NH1-OD2 3.79Å; R154-D168 PolarHBondContact NH1-OD2 3.19Å; R154-D168 VanDerWaalsContact NH2-CG 3.31Å; R154-D168 IonicContact NH2-OD1 3.99Å; R154-D168 PolarHBondContact NH2-OD1 3.04Å; R154-D168 IonicContact NH2-OD2 3.9Å; R154-D168 PolarHBondContact NH2-OD2 3.34Å; R154-D168 VanDerWaalsContact NH2-OD2 3.14Å
155	S	93.9	Very high	92.4	Very high	100 Å²	100	50.7 Å²	50.7	70%	0.699	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-13	178.7	59.8	0	0	0	0	113.9	Y152 H153	Y152-S155 PolarHBondContact O-N 3.36Å; Y152-S155 PolarHBondContact O-OG 3.15Å; H153-S155 VanDerWaalsContact C-N 3.29Å
156	A	94.9	Very high	92.6	Very high	21 Å²	21	50.7 Å²	50.7	17%	0.174	27%	0.274	C	S	.	.	S	Bend	trans	-122.9	138.5	176.4	0	0	0	0	0	112	Y152 H153 V158 L165	Y152-A156 HydrophobicContact CD1-CB 3.94Å; Y152-A156 HydrophobicContact CE1-CB 3.43Å; Y152-A156 VanDerWaalsContact CE1-CB 3.43Å; Y152-A156 HydrophobicContact CE2-CB 4.28Å; Y152-A156 PolarHBondContact O-N 3.46Å; H153-A156 CarbonylContact C-O 3.57Å; H153-A156 WeakPolarHBondContact CA-O 3.44Å; H153-A156 PolarHBondContact ND1-O 2.85Å; H153-A156 VanDerWaalsContact O-O 3.06Å; A156-V158 PolarHBondContact O-N 3.14Å; A156-L165 VanDerWaalsContact C-CD2 3.49Å
157	S	94.6	Very high	92.7	Very high	38 Å²	38	56.8 Å²	56.8	27%	0.266	30%	0.296	S	S	.	.			trans	-65.7	139.9	-172.7	-167.6	0	0	0	0	114.1	H153 S159 S162 I164	H153-S157 PolarHBondContact CE1-O 2.86Å; H153-S157 PolarHBondContact ND1-O 3.31Å; S157-S159 VanDerWaalsContact C-N 3.34Å; S157-S159 PolarHBondContact OG-N 3.46Å; S157-S159 PolarHBondContact OG-O 3.1Å; S157-S162 PolarHBondContact OG-O 3.33Å; S157-I164 CarbonylContact C-O 3.53Å; S157-I164 WeakPolarHBondContact CA-O 3.31Å; S157-I164 PolarHBondContact OG-N 2.83Å; S157-I164 PolarHBondContact OG-O 3.44Å
158	V	93.3	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-77	-19.2	169.7	-63.7	0	0	0	0	113.1	L113 V115 F126 L138 W139 H153 A156 I164 L166	L113-V158 HydrophobicContact CD2-CG1 4.08Å; V115-V158 HydrophobicContact CG2-CG2 4.38Å; F126-V158 HydrophobicContact CE2-CB 4.35Å; F126-V158 HydrophobicContact CE2-CG2 3.9Å; F126-V158 HydrophobicContact CZ-CG2 4.15Å; L138-V158 HydrophobicContact CD1-CB 4.11Å; L138-V158 HydrophobicContact CD1-CG1 3.93Å; W139-V158 PolarHBondContact NE1-O 3.28Å; H153-V158 HydrophobicContact CB-CG1 3.59Å; A156-V158 PolarHBondContact O-N 3.14Å; V158-I164 HydrophobicContact CG2-CB 3.88Å; V158-I164 HydrophobicContact CG2-CG2 3.89Å; V158-I164 PolarHBondContact N-O 3.06Å; V158-L166 HydrophobicContact CG1-CD1 4.16Å; V158-L166 HydrophobicContact CG1-CD2 3.72Å; V158-L166 HydrophobicContact CG1-CG 3.76Å; V158-L166 HydrophobicContact CG2-CD2 4.47Å
159	S	89.9	Confident	92.3	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.091	29%	0.291	C	S	.	.			trans	-103.4	144.9	-178.3	175.5	0	0	0	0	110.7	S157 T161 S162	S157-S159 VanDerWaalsContact C-N 3.34Å; S157-S159 PolarHBondContact OG-N 3.46Å; S157-S159 PolarHBondContact OG-O 3.1Å; S159-T161 PolarHBondContact OG-N 3.1Å; S159-T161 PolarHBondContact OG-OG1 3.5Å; S159-S162 VanDerWaalsContact CB-O 3.29Å; S159-S162 WeakPolarHBondContact CB-O 3.48Å; S159-S162 WeakPolarHBondContact CB-OG 3.43Å; S159-S162 PolarHBondContact OG-N 2.99Å; S159-S162 PolarHBondContact OG-OG 2.92Å
160	R	86.6	Confident	91.5	Very high	170 Å²	170	60.6 Å²	60.6	64%	0.642	32%	0.316	S	S	*	.	S	Bend	trans	-81.4	-20.2	174.8	-72.4	-179.6	174.3	153.2	-3.8	113.1	W139	W139-R160 HydrophobicContact CD2-CG 4.21Å; W139-R160 VanDerWaalsContact CE3-NE 3.32Å; W139-R160 VanDerWaalsContact CE3-NH1 3.27Å; W139-R160 HydrophobicContact CH2-CG 4.23Å; W139-R160 HydrophobicContact CZ2-CG 3.89Å
161	T	84.5	Confident	90.3	Very high	137 Å²	137	64.7 Å²	64.7	84%	0.84	34%	0.342	S	S	*	.	S	Bend	trans	-113.8	-15.5	-171.1	53.2	0	0	0	0	113.2	S159	S159-T161 PolarHBondContact OG-N 3.1Å; S159-T161 PolarHBondContact OG-OG1 3.5Å
162	S	83.4	Confident	88.9	Confident	33 Å²	33	66.1 Å²	66.1	23%	0.231	35%	0.346	C	S	.	.	S	Bend	trans	-141.5	153.6	-177.8	56	0	0	0	0	110.3	Q117 S157 S159 I164	Q117-S162 PolarHBondContact NE2-OG 3.16Å; S157-S162 PolarHBondContact OG-O 3.33Å; S159-S162 VanDerWaalsContact CB-O 3.29Å; S159-S162 WeakPolarHBondContact CB-O 3.48Å; S159-S162 WeakPolarHBondContact CB-OG 3.43Å; S159-S162 PolarHBondContact OG-N 2.99Å; S159-S162 PolarHBondContact OG-OG 2.92Å; S162-I164 PolarHBondContact O-N 3.42Å; S162-I164 WeakPolarHBondContact OG-CD1 3.42Å
163	S	88	Confident	87.6	Confident	109 Å²	109	65.4 Å²	65.4	76%	0.762	35%	0.352	S	S	*	.			trans	-87.7	89.4	178.2	-179.3	0	0	0	0	110.7
164	I	89.5	Confident	86.7	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	36%	0.363	C	S	.	.			trans	-112.2	112.3	174.4	-52.3	174.3	0	0	0	108.5	V115 Q117 Q124 S157 V158 S162	V115-I164 HydrophobicContact CG1-CG2 3.56Å; Q117-I164 HydrophobicContact CB-CD1 4.31Å; Q117-I164 HydrophobicContact CG-CD1 4.29Å; Q124-I164 VanDerWaalsContact NE2-CD1 3.32Å; S157-I164 CarbonylContact C-O 3.53Å; S157-I164 WeakPolarHBondContact CA-O 3.31Å; S157-I164 PolarHBondContact OG-N 2.83Å; S157-I164 PolarHBondContact OG-O 3.44Å; V158-I164 HydrophobicContact CG2-CB 3.88Å; V158-I164 HydrophobicContact CG2-CG2 3.89Å; V158-I164 PolarHBondContact N-O 3.06Å; S162-I164 PolarHBondContact O-N 3.42Å; S162-I164 WeakPolarHBondContact OG-CD1 3.42Å
165	L	95.1	Very high	86.4	Confident	57 Å²	57	67 Å²	67	30%	0.298	37%	0.369	S	S	.	.			trans	-99.4	142.5	172.9	-59.5	-177.2	0	0	0	109.1	G97 A156	G97-L165 WeakPolarHBondContact CA-O 3.42Å; A156-L165 VanDerWaalsContact C-CD2 3.49Å
166	L	96.5	Very high	86.3	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	34%	0.336	C	S	.	.			trans	-70.4	131.9	178.8	-65.6	-172.6	0	0	0	111.5	F99 L113 V115 V150 H153 R154 V158	F99-L166 HydrophobicContact CB-CD2 3.77Å; F99-L166 HydrophobicContact CD1-CB 3.68Å; F99-L166 HydrophobicContact CD1-CD1 4.42Å; F99-L166 HydrophobicContact CD1-CD2 3.87Å; F99-L166 HydrophobicContact CD1-CG 4.18Å; F99-L166 HydrophobicContact CD2-CD1 4.17Å; F99-L166 HydrophobicContact CD2-CD2 4.22Å; F99-L166 HydrophobicContact CE1-CB 3.71Å; F99-L166 HydrophobicContact CE1-CD1 4.43Å; F99-L166 HydrophobicContact CE1-CG 4.46Å; F99-L166 HydrophobicContact CE2-CD1 4.1Å; F99-L166 HydrophobicContact CG-CB 4.3Å; F99-L166 HydrophobicContact CG-CD1 4.33Å; F99-L166 HydrophobicContact CG-CD2 3.68Å; F99-L166 HydrophobicContact CG-CG 4.31Å; F99-L166 HydrophobicContact CZ-CB 4.3Å; F99-L166 HydrophobicContact CZ-CD1 4.27Å; L113-L166 HydrophobicContact CD1-CD1 4.42Å; L113-L166 HydrophobicContact CD1-CD2 4.33Å; L113-L166 HydrophobicContact CD2-CD1 4.33Å; L113-L166 HydrophobicContact CD2-CD2 4.34Å; V115-L166 HydrophobicContact CG1-CD2 4.06Å; V115-L166 HydrophobicContact CG2-CD2 3.81Å; V150-L166 HydrophobicContact CG1-CD1 4.46Å; V150-L166 HydrophobicContact CG2-CD1 4.49Å; H153-L166 HydrophobicContact CB-CD1 3.55Å; H153-L166 HydrophobicContact CB-CG 3.77Å; H153-L166 PolarHBondContact O-N 3.37Å; R154-L166 HydrophobicContact CG-CB 4.26Å; V158-L166 HydrophobicContact CG1-CD1 4.16Å; V158-L166 HydrophobicContact CG1-CD2 3.72Å; V158-L166 HydrophobicContact CG1-CG 3.76Å; V158-L166 HydrophobicContact CG2-CD2 4.47Å
167	R	94.5	Very high	86.3	Confident	142 Å²	142	64.6 Å²	64.6	54%	0.536	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-134.5	138.1	174	-64.5	-172.2	-177.1	-176.7	2.6	109.5	G97 A98 F99	G97-R167 PolarHBondContact O-N 3.23Å; A98-R167 VanDerWaalsContact CA-O 3.3Å; A98-R167 WeakPolarHBondContact CA-O 3.45Å; F99-R167 WeakPolarHBondContact CD1-O 3.48Å; F99-R167 WeakPolarHBondContact CE1-O 3.49Å; F99-R167 PolarHBondContact N-O 3.28Å
168	D	91	Very high	86.4	Confident	42 Å²	42	62.9 Å²	62.9	23%	0.225	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.9	150.8	-180	-63.7	-48.8	0	0	0	110.8	R75 H95 R154 E170	R75-D168 IonicContact NH2-OD2 3.36Å; H95-D168 PolarHBondContact CE1-O 2.82Å; H95-D168 PolarHBondContact NE2-O 2.83Å; R154-D168 IonicContact CZ-OD1 3.89Å; R154-D168 IonicContact CZ-OD2 3.54Å; R154-D168 IonicContact NH1-OD1 3.23Å; R154-D168 PolarHBondContact NH1-OD1 3.01Å; R154-D168 IonicContact NH1-OD2 3.79Å; R154-D168 PolarHBondContact NH1-OD2 3.19Å; R154-D168 VanDerWaalsContact NH2-CG 3.31Å; R154-D168 IonicContact NH2-OD1 3.99Å; R154-D168 PolarHBondContact NH2-OD1 3.04Å; R154-D168 IonicContact NH2-OD2 3.9Å; R154-D168 PolarHBondContact NH2-OD2 3.34Å; R154-D168 VanDerWaalsContact NH2-OD2 3.14Å; D168-E170 PolarHBondContact O-N 3.43Å
169	I	87.1	Confident	86.5	Confident	34 Å²	34	66.2 Å²	66.2	17%	0.174	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.8	128.3	170.5	-67.9	172.6	0	0	0	107.6	Y78 L90 Q93 F99 L100	Y78-I169 HydrophobicContact CE2-CD1 4.06Å; L90-I169 HydrophobicContact CD2-CD1 3.75Å; L90-I169 HydrophobicContact CD2-CG1 3.97Å; Q93-I169 HydrophobicContact CG-CG2 4.2Å; F99-I169 WeakPolarHBondContact O-CD1 3.28Å; F99-I169 WeakPolarHBondContact O-CG1 3.4Å; L100-I169 HydrophobicContact CB-CD1 4.12Å; L100-I169 HydrophobicContact CD2-CD1 4.09Å
170	E	79.3	Confident	86.8	Confident	109 Å²	109	70.9 Å²	70.9	51%	0.509	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-80.2	131.3	170.8	-68.7	176.6	-179.4	0	0	108.6	Q93 H95 D168 E172	Q93-E170 PolarHBondContact NE2-O 3.5Å; Q93-E170 PolarHBondContact OE1-O 3.12Å; H95-E170 IonicContact CD2-OE1 2.64Å; H95-E170 IonicContact CD2-OE2 2.68Å; D168-E170 PolarHBondContact O-N 3.43Å; E170-E172 PolarHBondContact O-N 3.19Å
171	P	70.2	Confident	87.3	Confident	86 Å²	86	66.7 Å²	66.7	56%	0.558	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-53.2	140.9	170.5	-22.4	31.9	0	0	0	110	T173	P171-T173 VanDerWaalsContact C-N 3.3Å; P171-T173 PolarHBondContact O-N 2.68Å
172	E	67.2	Low	87.9	Confident	119 Å²	119	60.9 Å²	60.9	56%	0.556	32%	0.319	S	S	*	.			trans	-64.8	92.3	174.1	-77.9	174.8	-129.7	0	0	109.1	K92 E170	K92-E172 WeakPolarHBondContact CD-OE1 3.39Å; K92-E172 WeakPolarHBondContact CE-OE1 2.85Å; K92-E172 IonicContact NZ-OE1 2.82Å; K92-E172 PolarHBondContact NZ-OE1 2.8Å; K92-E172 IonicContact NZ-OE2 2.69Å; K92-E172 PolarHBondContact NZ-OE2 3.36Å; E170-E172 PolarHBondContact O-N 3.19Å
173	T	68.5	Low	88.5	Confident	82 Å²	82	63.2 Å²	63.2	50%	0.503	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-83.4	120.2	170.2	61.5	0	0	0	0	108.9	P171 A200 T201	P171-T173 VanDerWaalsContact C-N 3.3Å; P171-T173 PolarHBondContact O-N 2.68Å; T173-A200 WeakPolarHBondContact CA-O 3.32Å; T173-T201 HydrophobicContact CG2-CG2 4.13Å
174	S	78.4	Confident	88.8	Confident	40 Å²	40	60.3 Å²	60.3	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.5	165.4	72	0	0	0	0	109.1	A200 K203	S174-A200 PolarHBondContact N-O 2.91Å; S174-A200 WeakPolarHBondContact O-CB 3.39Å; S174-A200 PolarHBondContact O-N 3.39Å; S174-K203 WeakPolarHBondContact OG-CE 3.39Å; S174-K203 PolarHBondContact OG-NZ 2.85Å
175	L	87.7	Confident	88.9	Confident	69 Å²	69	68.2 Å²	68.2	36%	0.361	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.8	170.4	-64.1	-179.7	0	0	0	109.6	I197 I198 S199 Y228	L175-I197 HydrophobicContact CB-CG2 4.13Å; L175-I197 HydrophobicContact CD1-CG2 4.41Å; L175-I197 HydrophobicContact CD2-CG2 4.11Å; L175-I197 HydrophobicContact CG-CG2 4.45Å; L175-I198 WeakPolarHBondContact CA-O 3.08Å; L175-S199 WeakPolarHBondContact CD2-OG 3.48Å; L175-Y228 HydrophobicContact CB-CD1 3.92Å; L175-Y228 HydrophobicContact CB-CG 4.48Å; L175-Y228 HydrophobicContact CD1-CD1 4.06Å; L175-Y228 HydrophobicContact CD1-CE1 4.47Å; L175-Y228 PolarHBondContact O-N 3.3Å
176	V	93.1	Very high	88.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147	175.2	-59	0	0	0	0	109	I197 I198 A200 W209 F220 V225 C226	V176-I197 CarbonylContact O-C 3.49Å; V176-I197 WeakPolarHBondContact O-CA 3.44Å; V176-I198 HydrophobicContact CG2-CB 3.87Å; V176-I198 HydrophobicContact CG2-CG2 4.42Å; V176-I198 PolarHBondContact N-O 3.25Å; V176-I198 PolarHBondContact O-N 3.02Å; V176-A200 HydrophobicContact CG1-CB 4.25Å; V176-A200 HydrophobicContact CG2-CB 4.24Å; V176-W209 HydrophobicContact CG1-CZ3 4.16Å; V176-F220 HydrophobicContact CG2-CE2 4.44Å; V176-F220 HydrophobicContact CG2-CZ 4.23Å; V176-V225 HydrophobicContact CB-CB 3.89Å; V176-V225 HydrophobicContact CB-CG2 3.94Å; V176-V225 HydrophobicContact CG1-CG2 4.34Å; V176-V225 HydrophobicContact CG2-CB 3.81Å; V176-V225 HydrophobicContact CG2-CG1 3.97Å; V176-V225 HydrophobicContact CG2-CG2 3.84Å; V176-C226 CarbonylContact C-O 3.42Å; V176-C226 WeakPolarHBondContact CA-O 3.11Å; V176-C226 WeakPolarHBondContact CB-O 3.13Å
177	Q	94.6	Very high	88.6	Confident	68 Å²	68	77.4 Å²	77.4	32%	0.318	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.8	177.8	-178.7	167.3	32	0	0	110.1	M179 G195 D196 I197 V225 C226 Y228	Q177-M179 PolarHBondContact O-N 2.69Å; Q177-G195 PolarHBondContact NE2-O 2.94Å; Q177-G195 VanDerWaalsContact NE2-O 3.16Å; Q177-D196 CarbonylContact C-O 3.32Å; Q177-D196 WeakPolarHBondContact CA-O 3.16Å; Q177-I197 HydrophobicContact CB-CD1 3.67Å; Q177-I197 HydrophobicContact CG-CD1 3.66Å; Q177-V225 CarbonylContact O-C 3.57Å; Q177-V225 VanDerWaalsContact O-CA 3.25Å; Q177-V225 WeakPolarHBondContact O-CA 3.32Å; Q177-C226 PolarHBondContact N-O 2.64Å; Q177-C226 PolarHBondContact O-N 3.18Å; Q177-Y228 HydrophobicContact CB-CD2 4.08Å
178	A	97	Very high	88.4	Confident	2 Å²	2	73.2 Å²	73.2	2%	0.017	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	120.7	174.7	0	0	0	0	0	111.4	F192 K193 G195 D196	A178-F192 HydrophobicContact CB-CD2 3.35Å; A178-F192 HydrophobicContact CB-CE2 3.62Å; A178-F192 HydrophobicContact CB-CG 4.3Å; A178-K193 VanDerWaalsContact CB-O 3.27Å; A178-K193 WeakPolarHBondContact CB-O 3.2Å; A178-G195 PolarHBondContact O-N 3.12Å; A178-D196 HydrophobicContact CB-CB 4.38Å; A178-D196 PolarHBondContact N-O 2.97Å
179	M	95.6	Very high	88.6	Confident	70 Å²	70	73 Å²	73	35%	0.345	40%	0.399	S	S	.	.	S	Bend	trans	-82.4	-25.4	174.1	-63.1	-171.9	-65.9	0	0	112.2	Q177 R194 T223 Y224 V225 C226	Q177-M179 PolarHBondContact O-N 2.69Å; M179-R194 VanDerWaalsContact O-CD 3.28Å; M179-R194 WeakPolarHBondContact O-CD 3.47Å; M179-R194 WeakPolarHBondContact O-CG 3.45Å; M179-T223 WeakPolarHBondContact CE-O 3.38Å; M179-Y224 WeakPolarHBondContact CB-O 3.48Å; M179-Y224 PolarHBondContact N-O 3.05Å; M179-V225 WeakPolarHBondContact CE-O 3.28Å; M179-C226 HydrophobicContact CG-CB 4.05Å; M179-C226 HydrophobicContact SD-CB 3.85Å
180	F	95.2	Very high	89.1	Confident	112 Å²	112	71.5 Å²	71.5	49%	0.491	39%	0.391	S	S	.	.	S	Bend	trans	-136.3	164.9	-177.8	-52	-74.2	0	0	0	110.8	F192 Y224	F180-F192 WeakPolarHBondContact O-CE2 3.35Å; F180-Y224 HydrophobicContact CB-CD1 3.89Å; F180-Y224 HydrophobicContact CB-CE1 4.17Å; F180-Y224 HydrophobicContact CD2-CD1 4.41Å; F180-Y224 HydrophobicContact CD2-CG 4.34Å
181	D	97.3	Very high	89.9	Confident	82 Å²	82	71.1 Å²	71.1	44%	0.439	39%	0.389	S	S	.	.			trans	-72.5	142	166.2	-73.7	13.6	0	0	0	109.4	K193 R194	D181-K193 HydrophobicContact CB-CD 4.24Å; D181-K193 VanDerWaalsContact CG-CD 3.42Å; D181-K193 WeakPolarHBondContact OD2-CD 3.29Å; D181-K193 IonicContact OD2-NZ 3.14Å; D181-K193 PolarHBondContact OD2-NZ 3.39Å; D181-R194 WeakPolarHBondContact OD1-CB 2.99Å; D181-R194 PolarHBondContact OD1-N 3.33Å
182	F	96.6	Very high	91.2	Very high	14 Å²	14	67.1 Å²	67.1	6%	0.061	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-132.8	123.5	173	-178.5	-108.3	0	0	0	110.1	E189 L190 F192 W208 F220 P221 Y224	F182-E189 HydrophobicContact CE1-CB 4.11Å; F182-L190 VanDerWaalsContact CD1-O 3.29Å; F182-L190 WeakPolarHBondContact CD1-O 3.48Å; F182-F192 HydrophobicContact CB-CD1 4.17Å; F182-F192 HydrophobicContact CB-CD2 4.02Å; F182-F192 HydrophobicContact CB-CE1 3.67Å; F182-F192 HydrophobicContact CB-CE2 3.51Å; F182-F192 HydrophobicContact CB-CG 4.34Å; F182-F192 HydrophobicContact CB-CZ 3.32Å; F182-F192 HydrophobicContact CD1-CD1 4.36Å; F182-F192 AromaticContact CD1-CE1 3.77Å; F182-F192 HydrophobicContact CD1-CE1 3.77Å; F182-F192 HydrophobicContact CD1-CZ 4.17Å; F182-F192 HydrophobicContact CG-CE1 4.04Å; F182-F192 AromaticContact CG-CZ 3.96Å; F182-F192 HydrophobicContact CG-CZ 3.96Å; F182-F192 PolarHBondContact N-O 2.7Å; F182-F192 PolarHBondContact O-N 2.81Å; F182-F192 VanDerWaalsContact O-N 3.17Å; F182-W208 HydrophobicContact CE2-CH2 4.36Å; F182-W208 AromaticContact CZ-CH2 3.88Å; F182-W208 HydrophobicContact CZ-CH2 3.88Å; F182-W208 AromaticContact CZ-CZ3 3.89Å; F182-W208 HydrophobicContact CZ-CZ3 3.89Å; F182-F220 HydrophobicContact CD1-CB 4.32Å; F182-F220 HydrophobicContact CE1-CB 4.32Å; F182-P221 HydrophobicContact CD2-CG 4.07Å; F182-P221 HydrophobicContact CE2-CG 3.7Å; F182-P221 HydrophobicContact CZ-CG 4.18Å; F182-Y224 HydrophobicContact CB-CD1 3.98Å; F182-Y224 HydrophobicContact CB-CE1 4.33Å; F182-Y224 HydrophobicContact CD2-CD1 4.11Å; F182-Y224 AromaticContact CD2-CE1 3.94Å; F182-Y224 HydrophobicContact CD2-CE1 3.94Å; F182-Y224 HydrophobicContact CG-CD1 4.41Å
183	T	95.7	Very high	92.7	Very high	83 Å²	83	66.4 Å²	66.4	51%	0.509	36%	0.358	S	S	.	.			trans	-108.6	124.7	177.2	-53.4	0	0	0	0	108.6	Q185	T183-Q185 PolarHBondContact O-N 3.1Å
184	P	94.7	Very high	94	Very high	47 Å²	47	71.5 Å²	71.5	31%	0.305	37%	0.368	S	S	.	.			trans	-53	131.2	175.9	-32.1	39.5	0	0	0	112.4	E189 E191	P184-E189 VanDerWaalsContact CA-OE2 3.28Å; P184-E189 WeakPolarHBondContact CA-OE2 3.35Å; P184-E189 HydrophobicContact CB-CB 3.88Å; P184-E189 HydrophobicContact CG-CB 4.23Å; P184-E191 VanDerWaalsContact CD-CB 3.43Å; P184-E191 HydrophobicContact CG-CB 3.68Å; P184-E191 HydrophobicContact CG-CG 4.47Å
185	Q	92.6	Very high	94.7	Very high	170 Å²	170	71.1 Å²	71.1	79%	0.794	37%	0.371	S	S	*	.	S	Bend	trans	-102.4	-31.5	169.3	-59.6	-175	17.9	0	0	110.6	T183 E189	T183-Q185 PolarHBondContact O-N 3.1Å; Q185-E189 PolarHBondContact N-OE2 2.85Å
186	E	92.6	Very high	95.2	Very high	127 Å²	127	70.2 Å²	70.2	59%	0.593	37%	0.366	S	S	*	.	S	Bend	trans	-119	152.6	-178.7	-65.4	-64.7	160.3	0	0	112.4	G188 E189	E186-G188 PolarHBondContact O-N 2.79Å; E186-E189 HydrophobicContact CB-CG 4.33Å; E186-E189 PolarHBondContact N-OE2 2.97Å; E186-E189 WeakPolarHBondContact O-CB 3.12Å; E186-E189 PolarHBondContact O-N 2.92Å
187	P	91	Very high	95.2	Very high	126 Å²	126	72.8 Å²	72.8	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	132.9	172.7	-21.3	32.9	0	0	0	112.1
188	G	90.9	Very high	95.1	Very high	54 Å²	54	69.5 Å²	69.5	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-2.8	-179.5	0	0	0	0	0	114.2	E186 G218 M219	E186-G188 PolarHBondContact O-N 2.79Å; G188-G218 CarbonylContact O-C 3.57Å; G188-G218 WeakPolarHBondContact O-CA 3.47Å; G188-M219 PolarHBondContact O-N 3.16Å
189	E	96.2	Very high	94.8	Very high	37 Å²	37	71 Å²	71	17%	0.173	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-81.4	148.9	172.5	-68.5	179.5	163.4	0	0	112.5	F182 P184 Q185 E186 W208 M219	F182-E189 HydrophobicContact CE1-CB 4.11Å; P184-E189 VanDerWaalsContact CA-OE2 3.28Å; P184-E189 WeakPolarHBondContact CA-OE2 3.35Å; P184-E189 HydrophobicContact CB-CB 3.88Å; P184-E189 HydrophobicContact CG-CB 4.23Å; Q185-E189 PolarHBondContact N-OE2 2.85Å; E186-E189 HydrophobicContact CB-CG 4.33Å; E186-E189 PolarHBondContact N-OE2 2.97Å; E186-E189 WeakPolarHBondContact O-CB 3.12Å; E186-E189 PolarHBondContact O-N 2.92Å; E189-W208 HydrophobicContact CG-CZ3 4.17Å; E189-W208 WeakPolarHBondContact OE1-CH2 2.92Å; E189-M219 CarbonylContact C-O 3.45Å; E189-M219 VanDerWaalsContact CA-O 3.25Å; E189-M219 WeakPolarHBondContact CA-O 3.28Å
190	L	96.3	Very high	94.4	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.016	36%	0.358	C	S	.	.			trans	-97.1	110.9	-176.1	-174.6	68.4	0	0	0	111.1	F182 F192 I198 L213 K216 M219 F220	F182-L190 VanDerWaalsContact CD1-O 3.29Å; F182-L190 WeakPolarHBondContact CD1-O 3.48Å; L190-F192 WeakPolarHBondContact O-CD1 3.31Å; L190-I198 HydrophobicContact CD2-CG2 3.85Å; L190-L213 HydrophobicContact CD1-CB 4.24Å; L190-L213 HydrophobicContact CD2-CB 4.02Å; L190-L213 HydrophobicContact CG-CB 4.38Å; L190-K216 HydrophobicContact CD1-CB 3.91Å; L190-K216 WeakPolarHBondContact CD1-O 3.25Å; L190-M219 PolarHBondContact N-O 2.8Å; L190-F220 HydrophobicContact CB-CD1 4.39Å; L190-F220 HydrophobicContact CD2-CD1 4.04Å; L190-F220 HydrophobicContact CD2-CE1 4.36Å
191	E	97.2	Very high	93.9	Very high	101 Å²	101	64.1 Å²	64.1	47%	0.472	35%	0.346	S	S	.	.			trans	-70	134.8	172.8	-169.8	176.2	-136.2	0	0	112	P184	P184-E191 VanDerWaalsContact CD-CB 3.43Å; P184-E191 HydrophobicContact CG-CB 3.68Å; P184-E191 HydrophobicContact CG-CG 4.47Å
192	F	97.4	Very high	93.1	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.013	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-154	163.9	172.5	56.2	-98.2	0	0	0	112.9	A178 F180 F182 L190 D196 I198 L213 F220 V225	A178-F192 HydrophobicContact CB-CD2 3.35Å; A178-F192 HydrophobicContact CB-CE2 3.62Å; A178-F192 HydrophobicContact CB-CG 4.3Å; F180-F192 WeakPolarHBondContact O-CE2 3.35Å; F182-F192 HydrophobicContact CB-CD1 4.17Å; F182-F192 HydrophobicContact CB-CD2 4.02Å; F182-F192 HydrophobicContact CB-CE1 3.67Å; F182-F192 HydrophobicContact CB-CE2 3.51Å; F182-F192 HydrophobicContact CB-CG 4.34Å; F182-F192 HydrophobicContact CB-CZ 3.32Å; F182-F192 HydrophobicContact CD1-CD1 4.36Å; F182-F192 AromaticContact CD1-CE1 3.77Å; F182-F192 HydrophobicContact CD1-CE1 3.77Å; F182-F192 HydrophobicContact CD1-CZ 4.17Å; F182-F192 HydrophobicContact CG-CE1 4.04Å; F182-F192 AromaticContact CG-CZ 3.96Å; F182-F192 HydrophobicContact CG-CZ 3.96Å; F182-F192 PolarHBondContact N-O 2.7Å; F182-F192 PolarHBondContact O-N 2.81Å; F182-F192 VanDerWaalsContact O-N 3.17Å; L190-F192 WeakPolarHBondContact O-CD1 3.31Å; F192-D196 HydrophobicContact CB-CB 4.24Å; F192-I198 HydrophobicContact CB-CD1 4.19Å; F192-I198 HydrophobicContact CD1-CD1 3.51Å; F192-I198 HydrophobicContact CD2-CD1 4.14Å; F192-I198 HydrophobicContact CE1-CD1 3.8Å; F192-I198 HydrophobicContact CE2-CD1 4.38Å; F192-I198 HydrophobicContact CG-CD1 3.69Å; F192-I198 HydrophobicContact CZ-CD1 4.22Å; F192-L213 HydrophobicContact CB-CD2 3.48Å; F192-L213 VanDerWaalsContact CB-CD2 3.48Å; F192-F220 HydrophobicContact CE1-CB 3.48Å; F192-F220 VanDerWaalsContact CE1-CB 3.48Å; F192-F220 HydrophobicContact CE1-CD2 4.2Å; F192-F220 AromaticContact CE1-CG 3.85Å; F192-F220 HydrophobicContact CE1-CG 3.85Å; F192-F220 HydrophobicContact CZ-CB 4.13Å; F192-F220 HydrophobicContact CZ-CD2 4.39Å; F192-F220 HydrophobicContact CZ-CG 4.45Å; F192-V225 HydrophobicContact CZ-CG1 4.42Å
193	K	97.2	Very high	92.4	Very high	103 Å²	103	66 Å²	66	45%	0.448	35%	0.352	S	S	.	.			trans	-108.8	153.7	175.6	-65.8	-58.7	-171.6	-175.9	0	111.2	A178 D181 G195 D196	A178-K193 VanDerWaalsContact CB-O 3.27Å; A178-K193 WeakPolarHBondContact CB-O 3.2Å; D181-K193 HydrophobicContact CB-CD 4.24Å; D181-K193 VanDerWaalsContact CG-CD 3.42Å; D181-K193 WeakPolarHBondContact OD2-CD 3.29Å; D181-K193 IonicContact OD2-NZ 3.14Å; D181-K193 PolarHBondContact OD2-NZ 3.39Å; K193-G195 PolarHBondContact O-N 2.92Å; K193-D196 PolarHBondContact N-OD2 2.79Å; K193-D196 VanDerWaalsContact O-CB 3.27Å; K193-D196 WeakPolarHBondContact O-CB 3.35Å; K193-D196 PolarHBondContact O-N 3.43Å
194	R	96.8	Very high	91.5	Very high	190 Å²	190	66.6 Å²	66.6	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	128.1	173.2	175.4	176.3	175.9	-166.7	-0.9	110	M179 D181	M179-R194 VanDerWaalsContact O-CD 3.28Å; M179-R194 WeakPolarHBondContact O-CD 3.47Å; M179-R194 WeakPolarHBondContact O-CG 3.45Å; D181-R194 WeakPolarHBondContact OD1-CB 2.99Å; D181-R194 PolarHBondContact OD1-N 3.33Å
195	G	93.9	Very high	90.9	Very high	32 Å²	32	67.9 Å²	67.9	33%	0.33	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-15.3	-179.7	0	0	0	0	0	114.3	Q177 A178 K193	Q177-G195 PolarHBondContact NE2-O 2.94Å; Q177-G195 VanDerWaalsContact NE2-O 3.16Å; A178-G195 PolarHBondContact O-N 3.12Å; K193-G195 PolarHBondContact O-N 2.92Å
196	D	96.4	Very high	90.4	Very high	50 Å²	50	67.9 Å²	67.9	27%	0.267	36%	0.364	S	S	.	.			trans	-61	143.8	176.7	-75.4	-19.7	0	0	0	111.5	Q177 A178 F192 K193 L213	Q177-D196 CarbonylContact C-O 3.32Å; Q177-D196 WeakPolarHBondContact CA-O 3.16Å; A178-D196 HydrophobicContact CB-CB 4.38Å; A178-D196 PolarHBondContact N-O 2.97Å; F192-D196 HydrophobicContact CB-CB 4.24Å; K193-D196 PolarHBondContact N-OD2 2.79Å; K193-D196 VanDerWaalsContact O-CB 3.27Å; K193-D196 WeakPolarHBondContact O-CB 3.35Å; K193-D196 PolarHBondContact O-N 3.43Å; D196-L213 HydrophobicContact CB-CD1 4.19Å; D196-L213 HydrophobicContact CB-CD2 3.99Å
197	I	93.1	Very high	90.4	Very high	54 Å²	54	66.4 Å²	66.4	28%	0.277	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115	177	-51.1	-51.9	0	0	0	108.9	L175 V176 Q177 L213 Y228	L175-I197 HydrophobicContact CB-CG2 4.13Å; L175-I197 HydrophobicContact CD1-CG2 4.41Å; L175-I197 HydrophobicContact CD2-CG2 4.11Å; L175-I197 HydrophobicContact CG-CG2 4.45Å; V176-I197 CarbonylContact O-C 3.49Å; V176-I197 WeakPolarHBondContact O-CA 3.44Å; Q177-I197 HydrophobicContact CB-CD1 3.67Å; Q177-I197 HydrophobicContact CG-CD1 3.66Å; I197-L213 VanDerWaalsContact O-CD1 3.32Å; I197-L213 WeakPolarHBondContact O-CD1 3.18Å; I197-Y228 HydrophobicContact CD1-CD1 4.19Å; I197-Y228 HydrophobicContact CD1-CD2 3.4Å; I197-Y228 HydrophobicContact CD1-CE1 4.31Å; I197-Y228 HydrophobicContact CD1-CE2 3.54Å; I197-Y228 HydrophobicContact CD1-CG 3.73Å; I197-Y228 HydrophobicContact CG1-CD1 4.46Å; I197-Y228 HydrophobicContact CG1-CD2 4.39Å; I197-Y228 HydrophobicContact CG1-CE1 4.33Å; I197-Y228 HydrophobicContact CG1-CE2 4.26Å; I197-Y228 HydrophobicContact CG1-CG 4.47Å; I197-Y228 HydrophobicContact CG2-CD1 3.78Å; I197-Y228 HydrophobicContact CG2-CE1 4.18Å; I197-Y228 HydrophobicContact CG2-CG 4.12Å
198	I	94	Very high	90.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.2	-176.6	-56.7	163.2	0	0	0	108.2	L175 V176 L190 F192 A200 L213 F220 V225	L175-I198 WeakPolarHBondContact CA-O 3.08Å; V176-I198 HydrophobicContact CG2-CB 3.87Å; V176-I198 HydrophobicContact CG2-CG2 4.42Å; V176-I198 PolarHBondContact N-O 3.25Å; V176-I198 PolarHBondContact O-N 3.02Å; L190-I198 HydrophobicContact CD2-CG2 3.85Å; F192-I198 HydrophobicContact CB-CD1 4.19Å; F192-I198 HydrophobicContact CD1-CD1 3.51Å; F192-I198 HydrophobicContact CD2-CD1 4.14Å; F192-I198 HydrophobicContact CE1-CD1 3.8Å; F192-I198 HydrophobicContact CE2-CD1 4.38Å; F192-I198 HydrophobicContact CG-CD1 3.69Å; F192-I198 HydrophobicContact CZ-CD1 4.22Å; I198-A200 PolarHBondContact O-N 2.89Å; I198-L213 HydrophobicContact CG1-CB 4.37Å; I198-L213 HydrophobicContact CG1-CD2 4.44Å; I198-F220 HydrophobicContact CG2-CE1 3.74Å; I198-F220 HydrophobicContact CG2-CZ 3.98Å; I198-V225 HydrophobicContact CD1-CG1 4.07Å
199	S	89.3	Confident	90.6	Very high	34 Å²	34	64.8 Å²	64.8	24%	0.238	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	98.8	167.8	-61.7	0	0	0	0	108.3	L175 T201 G211 M212	L175-S199 WeakPolarHBondContact CD2-OG 3.48Å; S199-T201 PolarHBondContact O-N 2.98Å; S199-G211 CarbonylContact O-C 3.54Å; S199-G211 WeakPolarHBondContact O-CA 3.43Å; S199-M212 PolarHBondContact N-O 3.12Å; S199-M212 PolarHBondContact O-N 2.85Å
200	A	88.8	Confident	90.4	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	118.5	175.2	0	0	0	0	0	108.8	T173 S174 V176 I198 K203 W209 E210 F220	T173-A200 WeakPolarHBondContact CA-O 3.32Å; S174-A200 PolarHBondContact N-O 2.91Å; S174-A200 WeakPolarHBondContact O-CB 3.39Å; S174-A200 PolarHBondContact O-N 3.39Å; V176-A200 HydrophobicContact CG1-CB 4.25Å; V176-A200 HydrophobicContact CG2-CB 4.24Å; I198-A200 PolarHBondContact O-N 2.89Å; A200-K203 HydrophobicContact CB-CG 4.43Å; A200-W209 HydrophobicContact CB-CE3 4.5Å; A200-E210 CarbonylContact C-O 3.58Å; A200-F220 HydrophobicContact CB-CZ 4.34Å
201	T	83.2	Confident	90.2	Very high	36 Å²	36	65.2 Å²	65.2	22%	0.221	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-26.9	-175	53	0	0	0	0	112.9	T173 S199 E210 M212	T173-T201 HydrophobicContact CG2-CG2 4.13Å; S199-T201 PolarHBondContact O-N 2.98Å; T201-E210 PolarHBondContact N-O 2.77Å; T201-E210 PolarHBondContact OG1-O 3.38Å; T201-M212 HydrophobicContact CG2-CG 4.27Å
202	D	82.1	Confident	89.9	Confident	54 Å²	54	64.4 Å²	64.4	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.9	173.1	-171.7	7.6	0	0	0	110.6	S204 W209 E210	D202-S204 VanDerWaalsContact CG-OG 3.25Å; D202-S204 WeakPolarHBondContact OD1-CB 3.35Å; D202-S204 PolarHBondContact OD1-N 2.83Å; D202-S204 PolarHBondContact OD1-OG 2.84Å; D202-S204 PolarHBondContact OD2-OG 3.3Å; D202-W209 WeakPolarHBondContact O-CA 3.5Å; D202-W209 WeakPolarHBondContact O-CB 3.43Å; D202-E210 HydrophobicContact CB-CB 3.82Å; D202-E210 PolarHBondContact N-O 3.32Å; D202-E210 VanDerWaalsContact N-O 3.1Å; D202-E210 PolarHBondContact O-N 2.91Å
203	K	81.8	Confident	89.6	Confident	82 Å²	82	65 Å²	65	36%	0.357	32%	0.324	S	S	.	.			trans	-126.8	23.2	176.5	-57.5	-170.5	177.1	-174.9	0	112.1	S174 A200 D205 W209	S174-K203 WeakPolarHBondContact OG-CE 3.39Å; S174-K203 PolarHBondContact OG-NZ 2.85Å; A200-K203 HydrophobicContact CB-CG 4.43Å; K203-D205 PolarHBondContact O-N 2.97Å; K203-W209 HydrophobicContact CB-CD2 4.19Å; K203-W209 HydrophobicContact CB-CG 4.23Å; K203-W209 HydrophobicContact CB-CZ2 4.46Å; K203-W209 HydrophobicContact CD-CD2 3.92Å; K203-W209 HydrophobicContact CD-CE3 3.96Å; K203-W209 HydrophobicContact CD-CH2 3.91Å; K203-W209 HydrophobicContact CD-CZ2 3.83Å; K203-W209 HydrophobicContact CD-CZ3 3.97Å; K203-W209 HydrophobicContact CG-CD2 3.66Å; K203-W209 HydrophobicContact CG-CE3 4.06Å; K203-W209 HydrophobicContact CG-CG 3.91Å; K203-W209 HydrophobicContact CG-CZ2 4.31Å
204	S	76	Confident	89.2	Confident	95 Å²	95	67.3 Å²	67.3	66%	0.664	34%	0.341	S	S	*	.			trans	-62.1	-31.5	-178.4	59.5	0	0	0	0	112.5	D202	D202-S204 VanDerWaalsContact CG-OG 3.25Å; D202-S204 WeakPolarHBondContact OD1-CB 3.35Å; D202-S204 PolarHBondContact OD1-N 2.83Å; D202-S204 PolarHBondContact OD1-OG 2.84Å; D202-S204 PolarHBondContact OD2-OG 3.3Å
205	D	83.2	Confident	88.6	Confident	73 Å²	73	61.9 Å²	61.9	39%	0.39	34%	0.344	S	S	.	.	S	Bend	trans	-94.9	142.7	172.3	-174	-78.9	0	0	0	111.8	K203 N207 W208 W209	K203-D205 PolarHBondContact O-N 2.97Å; D205-N207 WeakPolarHBondContact OD1-CA 3.27Å; D205-N207 WeakPolarHBondContact OD1-CB 3.18Å; D205-N207 PolarHBondContact OD1-N 2.86Å; D205-W208 WeakPolarHBondContact CB-O 3.29Å; D205-W208 PolarHBondContact OD1-N 2.75Å; D205-W209 PolarHBondContact O-NE1 2.83Å
206	E	81.9	Confident	88.4	Confident	171 Å²	171	67 Å²	67	80%	0.799	36%	0.357	S	S	*	.	S	Bend	trans	-73.2	-27.4	-176.9	-64.8	-175.2	169.7	0	0	113.3	A222	E206-A222 WeakPolarHBondContact O-CB 3.18Å
207	N	91.6	Very high	88.1	Confident	95 Å²	95	70.2 Å²	70.2	51%	0.508	37%	0.369	S	S	.	.	S	Bend	trans	-105.6	-34.6	-171.9	-60.5	-66.6	0	0	0	112.4	D205 P221 A222	D205-N207 WeakPolarHBondContact OD1-CA 3.27Å; D205-N207 WeakPolarHBondContact OD1-CB 3.18Å; D205-N207 PolarHBondContact OD1-N 2.86Å; N207-P221 CarbonylContact O-C 3.5Å; N207-P221 VanDerWaalsContact O-CA 3.28Å; N207-P221 WeakPolarHBondContact O-CA 3.46Å; N207-A222 PolarHBondContact O-N 3.17Å
208	W	94.1	Very high	88.2	Confident	95 Å²	95	67.8 Å²	67.8	36%	0.36	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.6	-174.2	-74.7	93.2	0	0	0	111.7	F182 E189 D205 M219 F220 P221	F182-W208 HydrophobicContact CE2-CH2 4.36Å; F182-W208 AromaticContact CZ-CH2 3.88Å; F182-W208 HydrophobicContact CZ-CH2 3.88Å; F182-W208 AromaticContact CZ-CZ3 3.89Å; F182-W208 HydrophobicContact CZ-CZ3 3.89Å; E189-W208 HydrophobicContact CG-CZ3 4.17Å; E189-W208 WeakPolarHBondContact OE1-CH2 2.92Å; D205-W208 WeakPolarHBondContact CB-O 3.29Å; D205-W208 PolarHBondContact OD1-N 2.75Å; W208-M219 HydrophobicContact CB-CE 3.95Å; W208-M219 HydrophobicContact CE3-CB 4.06Å; W208-F220 CarbonylContact C-O 3.52Å; W208-F220 WeakPolarHBondContact CA-O 3.27Å; W208-P221 HydrophobicContact CE3-CG 4.42Å; W208-P221 HydrophobicContact CH2-CG 3.94Å; W208-P221 HydrophobicContact CZ2-CG 4.27Å; W208-P221 HydrophobicContact CZ3-CG 4.01Å
209	W	92.8	Very high	88.3	Confident	52 Å²	52	71 Å²	71	20%	0.197	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.1	177.3	-66.9	-7.8	0	0	0	110.7	V176 A200 D202 K203 D205 M219 F220 A222 V225	V176-W209 HydrophobicContact CG1-CZ3 4.16Å; A200-W209 HydrophobicContact CB-CE3 4.5Å; D202-W209 WeakPolarHBondContact O-CA 3.5Å; D202-W209 WeakPolarHBondContact O-CB 3.43Å; K203-W209 HydrophobicContact CB-CD2 4.19Å; K203-W209 HydrophobicContact CB-CG 4.23Å; K203-W209 HydrophobicContact CB-CZ2 4.46Å; K203-W209 HydrophobicContact CD-CD2 3.92Å; K203-W209 HydrophobicContact CD-CE3 3.96Å; K203-W209 HydrophobicContact CD-CH2 3.91Å; K203-W209 HydrophobicContact CD-CZ2 3.83Å; K203-W209 HydrophobicContact CD-CZ3 3.97Å; K203-W209 HydrophobicContact CG-CD2 3.66Å; K203-W209 HydrophobicContact CG-CE3 4.06Å; K203-W209 HydrophobicContact CG-CG 3.91Å; K203-W209 HydrophobicContact CG-CZ2 4.31Å; D205-W209 PolarHBondContact O-NE1 2.83Å; W209-M219 CarbonylContact O-C 3.53Å; W209-M219 VanDerWaalsContact O-CA 3.29Å; W209-M219 WeakPolarHBondContact O-CA 3.41Å; W209-F220 HydrophobicContact CB-CE1 4.31Å; W209-F220 HydrophobicContact CB-CE2 3.99Å; W209-F220 HydrophobicContact CB-CZ 3.84Å; W209-F220 HydrophobicContact CE3-CE2 4.23Å; W209-F220 HydrophobicContact CE3-CZ 4.47Å; W209-F220 PolarHBondContact N-O 3.37Å; W209-F220 WeakPolarHBondContact O-CD1 3.36Å; W209-F220 PolarHBondContact O-N 2.86Å; W209-A222 HydrophobicContact CD2-CB 3.62Å; W209-A222 HydrophobicContact CE3-CB 4.21Å; W209-A222 HydrophobicContact CG-CB 3.92Å; W209-A222 HydrophobicContact CH2-CB 4.34Å; W209-A222 HydrophobicContact CZ2-CB 3.79Å; W209-V225 HydrophobicContact CE3-CG2 3.88Å; W209-V225 HydrophobicContact CZ3-CG2 3.69Å
210	E	91	Very high	88.6	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.3	167.9	-158.7	-176.4	-154.7	0	0	109.2	A200 T201 D202 K217 M219	A200-E210 CarbonylContact C-O 3.58Å; T201-E210 PolarHBondContact N-O 2.77Å; T201-E210 PolarHBondContact OG1-O 3.38Å; D202-E210 HydrophobicContact CB-CB 3.82Å; D202-E210 PolarHBondContact N-O 3.32Å; D202-E210 VanDerWaalsContact N-O 3.1Å; D202-E210 PolarHBondContact O-N 2.91Å; E210-K217 HydrophobicContact CG-CG 4.26Å; E210-K217 WeakPolarHBondContact OE1-CE 3.43Å; E210-K217 IonicContact OE1-NZ 3.24Å; E210-K217 PolarHBondContact OE1-NZ 2.81Å; E210-K217 WeakPolarHBondContact OE2-CE 3.4Å; E210-K217 IonicContact OE2-NZ 2.83Å; E210-K217 PolarHBondContact OE2-NZ 3.02Å; E210-M219 HydrophobicContact CB-SD 3.57Å; E210-M219 VanDerWaalsContact CB-SD 3.57Å; E210-M219 HydrophobicContact CG-SD 3.73Å
211	G	92.1	Very high	89	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-177.7	171.7	0	0	0	0	0	113.9	S199 K217 G218	S199-G211 CarbonylContact O-C 3.54Å; S199-G211 WeakPolarHBondContact O-CA 3.43Å; G211-K217 VanDerWaalsContact O-CA 3.31Å; G211-K217 WeakPolarHBondContact O-CA 3.28Å; G211-G218 PolarHBondContact N-O 2.89Å; G211-G218 PolarHBondContact O-N 2.98Å
212	M	90.5	Very high	89.4	Confident	84 Å²	84	68.7 Å²	68.7	41%	0.414	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	178.2	-64.6	-166.9	-34.9	0	0	112.3	S199 T201 K216 K217	S199-M212 PolarHBondContact N-O 3.12Å; S199-M212 PolarHBondContact O-N 2.85Å; T201-M212 HydrophobicContact CG2-CG 4.27Å; M212-K216 CarbonylContact C-O 3.56Å; M212-K216 WeakPolarHBondContact CA-O 3.46Å; M212-K217 HydrophobicContact CG-CB 4.02Å; M212-K217 HydrophobicContact CG-CG 3.94Å
213	L	92.6	Very high	90	Very high	16 Å²	16	70.6 Å²	70.6	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.1	171.6	178.6	65.5	0	0	0	109	L190 F192 D196 I197 I198 G215 K216	L190-L213 HydrophobicContact CD1-CB 4.24Å; L190-L213 HydrophobicContact CD2-CB 4.02Å; L190-L213 HydrophobicContact CG-CB 4.38Å; F192-L213 HydrophobicContact CB-CD2 3.48Å; F192-L213 VanDerWaalsContact CB-CD2 3.48Å; D196-L213 HydrophobicContact CB-CD1 4.19Å; D196-L213 HydrophobicContact CB-CD2 3.99Å; I197-L213 VanDerWaalsContact O-CD1 3.32Å; I197-L213 WeakPolarHBondContact O-CD1 3.18Å; I198-L213 HydrophobicContact CG1-CB 4.37Å; I198-L213 HydrophobicContact CG1-CD2 4.44Å; L213-G215 PolarHBondContact O-N 2.8Å; L213-G215 VanDerWaalsContact O-N 3.12Å; L213-K216 PolarHBondContact N-O 3.33Å; L213-K216 WeakPolarHBondContact O-CB 3.25Å; L213-K216 PolarHBondContact O-N 3.49Å
214	N	88.9	Confident	90.7	Very high	150 Å²	150	70.8 Å²	70.8	80%	0.802	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.9	177.8	-61.2	-35.5	0	0	0	114	K216	N214-K216 PolarHBondContact O-N 3.31Å
215	G	83.3	Confident	91.5	Very high	76 Å²	76	66.8 Å²	66.8	78%	0.784	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-1.5	-178.6	0	0	0	0	0	115.4	L213	L213-G215 PolarHBondContact O-N 2.8Å; L213-G215 VanDerWaalsContact O-N 3.12Å
216	K	89.9	Confident	91.9	Very high	140 Å²	140	65.2 Å²	65.2	61%	0.609	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.9	169.9	-62.9	-177.8	-179.8	179.3	0	109.4	L190 M212 L213 N214	L190-K216 HydrophobicContact CD1-CB 3.91Å; L190-K216 WeakPolarHBondContact CD1-O 3.25Å; M212-K216 CarbonylContact C-O 3.56Å; M212-K216 WeakPolarHBondContact CA-O 3.46Å; L213-K216 PolarHBondContact N-O 3.33Å; L213-K216 WeakPolarHBondContact O-CB 3.25Å; L213-K216 PolarHBondContact O-N 3.49Å; N214-K216 PolarHBondContact O-N 3.31Å
217	K	90.3	Very high	92.2	Very high	118 Å²	118	62.2 Å²	62.2	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.7	174.2	-166.1	-174.6	-164.6	-135.1	0	109.3	E210 G211 M212	E210-K217 HydrophobicContact CG-CG 4.26Å; E210-K217 WeakPolarHBondContact OE1-CE 3.43Å; E210-K217 IonicContact OE1-NZ 3.24Å; E210-K217 PolarHBondContact OE1-NZ 2.81Å; E210-K217 WeakPolarHBondContact OE2-CE 3.4Å; E210-K217 IonicContact OE2-NZ 2.83Å; E210-K217 PolarHBondContact OE2-NZ 3.02Å; G211-K217 VanDerWaalsContact O-CA 3.31Å; G211-K217 WeakPolarHBondContact O-CA 3.28Å; M212-K217 HydrophobicContact CG-CB 4.02Å; M212-K217 HydrophobicContact CG-CG 3.94Å
218	G	95.3	Very high	92	Very high	3 Å²	3	61.3 Å²	61.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	176.9	174	0	0	0	0	0	113.9	G188 G211	G188-G218 CarbonylContact O-C 3.57Å; G188-G218 WeakPolarHBondContact O-CA 3.47Å; G211-G218 PolarHBondContact N-O 2.89Å; G211-G218 PolarHBondContact O-N 2.98Å
219	M	96	Very high	91	Very high	66 Å²	66	63.2 Å²	63.2	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	147	-179.3	-58.6	-60.1	-72.7	0	0	111.9	G188 E189 L190 W208 W209 E210	G188-M219 PolarHBondContact O-N 3.16Å; E189-M219 CarbonylContact C-O 3.45Å; E189-M219 VanDerWaalsContact CA-O 3.25Å; E189-M219 WeakPolarHBondContact CA-O 3.28Å; L190-M219 PolarHBondContact N-O 2.8Å; W208-M219 HydrophobicContact CB-CE 3.95Å; W208-M219 HydrophobicContact CE3-CB 4.06Å; W209-M219 CarbonylContact O-C 3.53Å; W209-M219 VanDerWaalsContact O-CA 3.29Å; W209-M219 WeakPolarHBondContact O-CA 3.41Å; E210-M219 HydrophobicContact CB-SD 3.57Å; E210-M219 VanDerWaalsContact CB-SD 3.57Å; E210-M219 HydrophobicContact CG-SD 3.73Å
220	F	95.9	Very high	89.7	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.1	173.2	60.9	-88.5	0	0	0	112.6	V176 F182 L190 F192 I198 A200 W208 W209 A222 V225	V176-F220 HydrophobicContact CG2-CE2 4.44Å; V176-F220 HydrophobicContact CG2-CZ 4.23Å; F182-F220 HydrophobicContact CD1-CB 4.32Å; F182-F220 HydrophobicContact CE1-CB 4.32Å; L190-F220 HydrophobicContact CB-CD1 4.39Å; L190-F220 HydrophobicContact CD2-CD1 4.04Å; L190-F220 HydrophobicContact CD2-CE1 4.36Å; F192-F220 HydrophobicContact CE1-CB 3.48Å; F192-F220 VanDerWaalsContact CE1-CB 3.48Å; F192-F220 HydrophobicContact CE1-CD2 4.2Å; F192-F220 AromaticContact CE1-CG 3.85Å; F192-F220 HydrophobicContact CE1-CG 3.85Å; F192-F220 HydrophobicContact CZ-CB 4.13Å; F192-F220 HydrophobicContact CZ-CD2 4.39Å; F192-F220 HydrophobicContact CZ-CG 4.45Å; I198-F220 HydrophobicContact CG2-CE1 3.74Å; I198-F220 HydrophobicContact CG2-CZ 3.98Å; A200-F220 HydrophobicContact CB-CZ 4.34Å; W208-F220 CarbonylContact C-O 3.52Å; W208-F220 WeakPolarHBondContact CA-O 3.27Å; W209-F220 HydrophobicContact CB-CE1 4.31Å; W209-F220 HydrophobicContact CB-CE2 3.99Å; W209-F220 HydrophobicContact CB-CZ 3.84Å; W209-F220 HydrophobicContact CE3-CE2 4.23Å; W209-F220 HydrophobicContact CE3-CZ 4.47Å; W209-F220 PolarHBondContact N-O 3.37Å; W209-F220 WeakPolarHBondContact O-CD1 3.36Å; W209-F220 PolarHBondContact O-N 2.86Å; F220-A222 PolarHBondContact O-N 3.22Å; F220-V225 HydrophobicContact CD2-CG1 3.87Å; F220-V225 HydrophobicContact CE2-CB 4.32Å; F220-V225 HydrophobicContact CE2-CG1 3.57Å; F220-V225 HydrophobicContact CE2-CG2 3.77Å
221	P	95.9	Very high	87.7	Confident	12 Å²	12	75.5 Å²	75.5	8%	0.078	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126.1	179.5	-19.4	32	0	0	0	111.8	F182 N207 W208 T223 Y224	F182-P221 HydrophobicContact CD2-CG 4.07Å; F182-P221 HydrophobicContact CE2-CG 3.7Å; F182-P221 HydrophobicContact CZ-CG 4.18Å; N207-P221 CarbonylContact O-C 3.5Å; N207-P221 VanDerWaalsContact O-CA 3.28Å; N207-P221 WeakPolarHBondContact O-CA 3.46Å; W208-P221 HydrophobicContact CE3-CG 4.42Å; W208-P221 HydrophobicContact CH2-CG 3.94Å; W208-P221 HydrophobicContact CZ2-CG 4.27Å; W208-P221 HydrophobicContact CZ3-CG 4.01Å; P221-T223 PolarHBondContact O-N 2.8Å; P221-T223 VanDerWaalsContact O-N 3.12Å; P221-Y224 HydrophobicContact CB-CD2 3.63Å; P221-Y224 HydrophobicContact CB-CE2 4.17Å; P221-Y224 HydrophobicContact CB-CG 4.17Å; P221-Y224 HydrophobicContact CG-CD2 4Å; P221-Y224 HydrophobicContact CG-CE2 4.23Å; P221-Y224 HydrophobicContact CG-CG 4.31Å; P221-Y224 WeakPolarHBondContact O-CB 3.18Å; P221-Y224 PolarHBondContact O-N 2.95Å
222	A	91.9	Very high	87.5	Confident	11 Å²	11	79.3 Å²	79.3	9%	0.091	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31.4	174.9	0	0	0	0	0	112.2	E206 N207 W209 F220 Y224 V225	E206-A222 WeakPolarHBondContact O-CB 3.18Å; N207-A222 PolarHBondContact O-N 3.17Å; W209-A222 HydrophobicContact CD2-CB 3.62Å; W209-A222 HydrophobicContact CE3-CB 4.21Å; W209-A222 HydrophobicContact CG-CB 3.92Å; W209-A222 HydrophobicContact CH2-CB 4.34Å; W209-A222 HydrophobicContact CZ2-CB 3.79Å; F220-A222 PolarHBondContact O-N 3.22Å; A222-Y224 PolarHBondContact O-N 3.39Å; A222-V225 WeakPolarHBondContact O-CG2 3.32Å; A222-V225 PolarHBondContact O-N 2.7Å
223	T	94.6	Very high	87.3	Confident	94 Å²	94	79.1 Å²	79.1	58%	0.577	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-71.1	-13	179.2	56.9	0	0	0	0	114.1	M179 P221	M179-T223 WeakPolarHBondContact CE-O 3.38Å; P221-T223 PolarHBondContact O-N 2.8Å; P221-T223 VanDerWaalsContact O-N 3.12Å
224	Y	96.2	Very high	87	Confident	86 Å²	86	82.6 Å²	82.6	34%	0.337	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-90.5	-6.3	-178.2	-84.4	-130	0	0	0	113.2	M179 F180 F182 P221 A222	M179-Y224 WeakPolarHBondContact CB-O 3.48Å; M179-Y224 PolarHBondContact N-O 3.05Å; F180-Y224 HydrophobicContact CB-CD1 3.89Å; F180-Y224 HydrophobicContact CB-CE1 4.17Å; F180-Y224 HydrophobicContact CD2-CD1 4.41Å; F180-Y224 HydrophobicContact CD2-CG 4.34Å; F182-Y224 HydrophobicContact CB-CD1 3.98Å; F182-Y224 HydrophobicContact CB-CE1 4.33Å; F182-Y224 HydrophobicContact CD2-CD1 4.11Å; F182-Y224 AromaticContact CD2-CE1 3.94Å; F182-Y224 HydrophobicContact CD2-CE1 3.94Å; F182-Y224 HydrophobicContact CG-CD1 4.41Å; P221-Y224 HydrophobicContact CB-CD2 3.63Å; P221-Y224 HydrophobicContact CB-CE2 4.17Å; P221-Y224 HydrophobicContact CB-CG 4.17Å; P221-Y224 HydrophobicContact CG-CD2 4Å; P221-Y224 HydrophobicContact CG-CE2 4.23Å; P221-Y224 HydrophobicContact CG-CG 4.31Å; P221-Y224 WeakPolarHBondContact O-CB 3.18Å; P221-Y224 PolarHBondContact O-N 2.95Å; A222-Y224 PolarHBondContact O-N 3.39Å
225	V	94.4	Very high	86.9	Confident	11 Å²	11	78.6 Å²	78.6	7%	0.067	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.6	-175.2	-58.5	0	0	0	0	111.5	V176 Q177 M179 F192 I198 W209 F220 A222	V176-V225 HydrophobicContact CB-CB 3.89Å; V176-V225 HydrophobicContact CB-CG2 3.94Å; V176-V225 HydrophobicContact CG1-CG2 4.34Å; V176-V225 HydrophobicContact CG2-CB 3.81Å; V176-V225 HydrophobicContact CG2-CG1 3.97Å; V176-V225 HydrophobicContact CG2-CG2 3.84Å; Q177-V225 CarbonylContact O-C 3.57Å; Q177-V225 VanDerWaalsContact O-CA 3.25Å; Q177-V225 WeakPolarHBondContact O-CA 3.32Å; M179-V225 WeakPolarHBondContact CE-O 3.28Å; F192-V225 HydrophobicContact CZ-CG1 4.42Å; I198-V225 HydrophobicContact CD1-CG1 4.07Å; W209-V225 HydrophobicContact CE3-CG2 3.88Å; W209-V225 HydrophobicContact CZ3-CG2 3.69Å; F220-V225 HydrophobicContact CD2-CG1 3.87Å; F220-V225 HydrophobicContact CE2-CB 4.32Å; F220-V225 HydrophobicContact CE2-CG1 3.57Å; F220-V225 HydrophobicContact CE2-CG2 3.77Å; A222-V225 WeakPolarHBondContact O-CG2 3.32Å; A222-V225 PolarHBondContact O-N 2.7Å
226	C	91.7	Very high	87.1	Confident	41 Å²	41	78.8 Å²	78.8	28%	0.277	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.8	168.3	63	0	0	0	0	110.4	V176 Q177 M179 Y228	V176-C226 CarbonylContact C-O 3.42Å; V176-C226 WeakPolarHBondContact CA-O 3.11Å; V176-C226 WeakPolarHBondContact CB-O 3.13Å; Q177-C226 PolarHBondContact N-O 2.64Å; Q177-C226 PolarHBondContact O-N 3.18Å; M179-C226 HydrophobicContact CG-CB 4.05Å; M179-C226 HydrophobicContact SD-CB 3.85Å; C226-Y228 PolarHBondContact O-N 2.79Å
227	P	88	Confident	86.9	Confident	107 Å²	107	74.7 Å²	74.7	70%	0.695	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	129.2	173.1	-25.3	34.8	0	0	0	111.6
228	Y	85.7	Confident	86.7	Confident	77 Å²	77	71.6 Å²	71.6	30%	0.302	38%	0.382	S	S	.	.			trans	-98.3	115.3	176.7	179.7	-105.9	0	0	0	110.3	L175 Q177 I197 C226 P230	L175-Y228 HydrophobicContact CB-CD1 3.92Å; L175-Y228 HydrophobicContact CB-CG 4.48Å; L175-Y228 HydrophobicContact CD1-CD1 4.06Å; L175-Y228 HydrophobicContact CD1-CE1 4.47Å; L175-Y228 PolarHBondContact O-N 3.3Å; Q177-Y228 HydrophobicContact CB-CD2 4.08Å; I197-Y228 HydrophobicContact CD1-CD1 4.19Å; I197-Y228 HydrophobicContact CD1-CD2 3.4Å; I197-Y228 HydrophobicContact CD1-CE1 4.31Å; I197-Y228 HydrophobicContact CD1-CE2 3.54Å; I197-Y228 HydrophobicContact CD1-CG 3.73Å; I197-Y228 HydrophobicContact CG1-CD1 4.46Å; I197-Y228 HydrophobicContact CG1-CD2 4.39Å; I197-Y228 HydrophobicContact CG1-CE1 4.33Å; I197-Y228 HydrophobicContact CG1-CE2 4.26Å; I197-Y228 HydrophobicContact CG1-CG 4.47Å; I197-Y228 HydrophobicContact CG2-CD1 3.78Å; I197-Y228 HydrophobicContact CG2-CE1 4.18Å; I197-Y228 HydrophobicContact CG2-CG 4.12Å; C226-Y228 PolarHBondContact O-N 2.79Å; Y228-P230 HydrophobicContact CE1-CB 4.17Å; Y228-P230 HydrophobicContact CE1-CG 4.46Å
229	N	74.6	Confident	86	Confident	135 Å²	135	76.8 Å²	76.8	72%	0.722	41%	0.409	S	S	*	.			trans	-111.1	110.4	172.7	-68.4	-15.4	0	0	0	108.2	Q231	N229-Q231 PolarHBondContact O-N 2.82Å
230	P	65.3	Low	85.2	Confident	90 Å²	90	77.8 Å²	77.8	58%	0.584	42%	0.416	S	S	*	.			trans	-61.2	132.1	170.5	24.4	-30.5	0	0	0	109.3	Y228	Y228-P230 HydrophobicContact CE1-CB 4.17Å; Y228-P230 HydrophobicContact CE1-CG 4.46Å
231	Q	48.3	Very low	84.2	Confident	269 Å²	269	84.8 Å²	84.8	100%	1.257	45%	0.453	S	S	*	.			trans	-73.5	0	170.5	-76.9	-173.9	1.8	0	0	111.3	N229	N229-Q231 PolarHBondContact O-N 2.82Å

Retrieved 231 of 231 residues in 172.7 ms (Link to these results)

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