A0A7M4E7X5_CROPO Loading...

Growth factor receptor bound protein 2

AlphaFold DB , UniProt , Accession A0A7M4E7X5, Species CROPO (Crocodylus porosus, Saltwater crocodile), Gene GRB2, Length 217 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	70.3	Confident	87.2	Confident	91 Å²	91	65.7 Å²	65.7	45%	0.448	31%	0.311	S	S	.	.				0	158.6	0	-78.8	179	-104.7	0	0	109	K26 V27 E30 M55 F61	M1-K26 CarbonylContact O-C 3.54Å; M1-V27 HydrophobicContact CB-CB 4.44Å; M1-V27 PolarHBondContact N-O 3.39Å; M1-V27 WeakPolarHBondContact O-CA 3.32Å; M1-V27 PolarHBondContact O-N 2.94Å; M1-E30 HydrophobicContact CE-CG 4.17Å; M1-E30 WeakPolarHBondContact CE-OE1 3.33Å; M1-M55 HydrophobicContact CB-CE 3.41Å; M1-M55 VanDerWaalsContact CB-CE 3.41Å; M1-M55 HydrophobicContact CE-CE 4.39Å; M1-M55 HydrophobicContact CG-CE 4.02Å; M1-M55 HydrophobicContact SD-CE 3.45Å; M1-M55 WeakPolarHBondContact SD-CE 3.31Å; M1-F61 HydrophobicContact CE-CE1 4.4Å; M1-F61 HydrophobicContact CG-CD1 4.3Å; M1-F61 HydrophobicContact CG-CE1 4.02Å; M1-F61 HydrophobicContact SD-CD1 4.48Å; M1-F61 HydrophobicContact SD-CE1 4.18Å
2	E	80.1	Confident	87.3	Confident	20 Å²	20	70.3 Å²	70.3	9%	0.093	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.6	172.8	-69.7	-175	176.1	0	0	110.4	I24 L25 K56 S127 N129	E2-I24 HydrophobicContact CB-CG2 4.06Å; E2-I24 HydrophobicContact CG-CG2 4.1Å; E2-I24 WeakPolarHBondContact OE2-CG2 3.29Å; E2-L25 CarbonylContact C-O 3.45Å; E2-L25 VanDerWaalsContact CA-O 3.32Å; E2-L25 WeakPolarHBondContact CA-O 3.47Å; E2-K56 PolarHBondContact O-N 2.9Å; E2-S127 WeakPolarHBondContact OE1-CB 3.33Å; E2-S127 PolarHBondContact OE1-OG 3.05Å; E2-N129 WeakPolarHBondContact OE1-CB 3.21Å; E2-N129 PolarHBondContact OE1-OD1 2.88Å; E2-N129 PolarHBondContact OE2-ND2 3.41Å
3	A	82.1	Confident	87.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.5	172.6	0	0	0	0	0	109.7	I24 L25 V27 I53 E54 M55	A3-I24 WeakPolarHBondContact O-CA 3.49Å; A3-L25 PolarHBondContact N-O 2.78Å; A3-L25 PolarHBondContact O-N 2.98Å; A3-V27 HydrophobicContact CB-CG2 3.96Å; A3-I53 HydrophobicContact CB-CB 3.93Å; A3-I53 HydrophobicContact CB-CD1 3.52Å; A3-I53 HydrophobicContact CB-CG1 4Å; A3-E54 CarbonylContact C-O 3.55Å; A3-E54 VanDerWaalsContact CA-O 3.27Å; A3-E54 WeakPolarHBondContact CA-O 3.48Å; A3-M55 HydrophobicContact CB-SD 3.87Å
4	I	84.2	Confident	87.5	Confident	50 Å²	50	76 Å²	76	26%	0.256	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.8	170.1	-172.4	164.1	0	0	0	109.5	K6 D23 I24 I53 E54 K56	I4-K6 PolarHBondContact O-N 3.1Å; I4-D23 WeakPolarHBondContact CA-O 3.27Å; I4-I24 HydrophobicContact CB-CD1 4.1Å; I4-I24 HydrophobicContact CD1-CD1 4.26Å; I4-I24 HydrophobicContact CG1-CD1 4.05Å; I4-I53 CarbonylContact O-C 3.52Å; I4-I53 VanDerWaalsContact O-CA 3.3Å; I4-I53 WeakPolarHBondContact O-CA 3.36Å; I4-E54 HydrophobicContact CG2-CB 3.83Å; I4-E54 HydrophobicContact CG2-CG 4.44Å; I4-E54 PolarHBondContact N-O 3.31Å; I4-E54 PolarHBondContact O-N 3.21Å; I4-K56 HydrophobicContact CG2-CG 4.41Å
5	A	90.2	Very high	87.5	Confident	3 Å²	3	77.1 Å²	77.1	3%	0.025	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.1	172.7	0	0	0	0	0	110.6	F19 K20 G22 D23 L25	A5-F19 HydrophobicContact CB-CD2 3.43Å; A5-F19 VanDerWaalsContact CB-CD2 3.43Å; A5-F19 HydrophobicContact CB-CE2 3.72Å; A5-F19 HydrophobicContact CB-CG 4.44Å; A5-K20 WeakPolarHBondContact CB-O 3.26Å; A5-G22 PolarHBondContact O-N 2.94Å; A5-D23 HydrophobicContact CB-CB 4.39Å; A5-D23 PolarHBondContact N-O 2.82Å; A5-L25 HydrophobicContact CB-CD1 4.2Å
6	K	90.3	Very high	87.8	Confident	83 Å²	83	74.3 Å²	74.3	36%	0.361	38%	0.381	S	S	.	.	S	Bend	trans	-79	-29.8	175.1	-74.5	-174.1	142.8	154	0	112.2	I4 R21 Y52 E54	I4-K6 PolarHBondContact O-N 3.1Å; K6-R21 VanDerWaalsContact O-CD 3.32Å; K6-R21 WeakPolarHBondContact O-CD 3.34Å; K6-R21 WeakPolarHBondContact O-CG 3.31Å; K6-Y52 PolarHBondContact N-O 2.88Å; K6-E54 HydrophobicContact CD-CB 3.93Å; K6-E54 WeakPolarHBondContact CE-OE2 3.18Å; K6-E54 HydrophobicContact CG-CB 4.02Å; K6-E54 VanDerWaalsContact NZ-CD 3.34Å; K6-E54 IonicContact NZ-OE1 3.94Å; K6-E54 IonicContact NZ-OE2 3.65Å; K6-E54 PolarHBondContact NZ-OE2 3.28Å; K6-E54 VanDerWaalsContact NZ-OE2 3.17Å
7	Y	88.8	Confident	88	Confident	136 Å²	136	70.6 Å²	70.6	53%	0.533	36%	0.362	S	S	.	.	S	Bend	trans	-136.7	162.8	-178	-50.5	-73.1	0	0	0	110.8	F19 Y52	Y7-F19 WeakPolarHBondContact O-CE2 3.29Å; Y7-Y52 HydrophobicContact CD2-CD1 4.27Å; Y7-Y52 HydrophobicContact CD2-CG 4.34Å; Y7-Y52 HydrophobicContact CG-CD1 4.48Å
8	D	93	Very high	88.4	Confident	104 Å²	104	70.1 Å²	70.1	56%	0.556	37%	0.366	S	S	*	.			trans	-71.6	138.9	169	-67.5	10	0	0	0	109.1	R21	D8-R21 WeakPolarHBondContact OD1-CB 3.49Å; D8-R21 PolarHBondContact OD1-N 3.44Å
9	F	94.4	Very high	88.7	Confident	27 Å²	27	66.8 Å²	66.8	12%	0.118	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-134.2	126.7	175.8	-180	-106.2	0	0	0	110.1	E16 L17 S18 F19 W36 P49 Y52	F9-E16 HydrophobicContact CE1-CB 4.19Å; F9-E16 HydrophobicContact CZ-CB 4.5Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.45Å; F9-L17 VanDerWaalsContact CD1-O 3.29Å; F9-L17 WeakPolarHBondContact CD1-O 3.36Å; F9-S18 WeakPolarHBondContact O-CA 3.33Å; F9-F19 HydrophobicContact CB-CD1 4.09Å; F9-F19 HydrophobicContact CB-CD2 3.96Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.5Å; F9-F19 VanDerWaalsContact CB-CE2 3.5Å; F9-F19 HydrophobicContact CB-CG 4.26Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.06Å; F9-F19 AromaticContact CD1-CE1 3.51Å; F9-F19 HydrophobicContact CD1-CE1 3.51Å; F9-F19 HydrophobicContact CD1-CZ 4.02Å; F9-F19 AromaticContact CG-CE1 3.84Å; F9-F19 HydrophobicContact CG-CE1 3.84Å; F9-F19 AromaticContact CG-CZ 3.85Å; F9-F19 HydrophobicContact CG-CZ 3.85Å; F9-F19 PolarHBondContact N-O 2.92Å; F9-F19 PolarHBondContact O-N 3.19Å; F9-W36 HydrophobicContact CE1-CZ3 4.3Å; F9-W36 HydrophobicContact CE2-CH2 4.27Å; F9-W36 AromaticContact CZ-CH2 3.74Å; F9-W36 HydrophobicContact CZ-CH2 3.74Å; F9-W36 AromaticContact CZ-CZ3 3.87Å; F9-W36 HydrophobicContact CZ-CZ3 3.87Å; F9-P49 HydrophobicContact CD2-CG 3.75Å; F9-P49 HydrophobicContact CE2-CG 3.75Å; F9-P49 HydrophobicContact CG-CG 4.17Å; F9-P49 HydrophobicContact CZ-CG 4.15Å; F9-Y52 HydrophobicContact CB-CD1 4.09Å; F9-Y52 HydrophobicContact CD2-CD1 4.26Å; F9-Y52 HydrophobicContact CD2-CE1 4.27Å
10	K	94.4	Very high	89	Confident	177 Å²	177	70.5 Å²	70.5	77%	0.77	36%	0.362	S	S	*	.			trans	-109.2	122	175.7	-172.4	179.7	179.8	-174.9	0	107.9	T12	K10-T12 PolarHBondContact O-N 3.27Å
11	A	91.1	Very high	89	Confident	32 Å²	32	76 Å²	76	26%	0.264	38%	0.378	S	S	.	.			trans	-54	130.3	177.4	0	0	0	0	0	110.4	E16 S18	A11-E16 HydrophobicContact CB-CB 3.73Å; A11-E16 WeakPolarHBondContact CB-O 3.41Å; A11-S18 WeakPolarHBondContact CB-OG 3.31Å; A11-S18 PolarHBondContact N-OG 2.78Å
12	T	88.6	Confident	89.6	Confident	121 Å²	121	73.5 Å²	73.5	74%	0.742	38%	0.376	S	S	*	.	S	Bend	trans	-104.5	-18.7	176.7	62.9	0	0	0	0	112	K10 E16	K10-T12 PolarHBondContact O-N 3.27Å; T12-E16 WeakPolarHBondContact CA-OE2 3.44Å; T12-E16 PolarHBondContact N-OE2 2.73Å; T12-E16 PolarHBondContact OG1-OE1 3.47Å; T12-E16 PolarHBondContact OG1-OE2 3.17Å
13	A	89.2	Confident	90	Very high	38 Å²	38	75.1 Å²	75.1	31%	0.314	39%	0.385	S	S	.	.	S	Bend	trans	-126.4	161.6	173	0	0	0	0	0	111.7	D15 E16	A13-D15 WeakPolarHBondContact CB-OD1 3.37Å; A13-D15 PolarHBondContact O-N 3.47Å; A13-E16 HydrophobicContact CB-CG 4.11Å; A13-E16 PolarHBondContact N-OE2 2.71Å; A13-E16 PolarHBondContact O-N 3.28Å
14	D	88.2	Confident	90.1	Very high	182 Å²	182	78.2 Å²	78.2	97%	0.973	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19	-174.7	-65.7	-35.5	0	0	0	113.6
15	D	88.2	Confident	90.2	Very high	92 Å²	92	75.8 Å²	75.8	49%	0.492	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.1	177.5	62.5	-26.6	0	0	0	113.2	A13 G46 F47	A13-D15 WeakPolarHBondContact CB-OD1 3.37Å; A13-D15 PolarHBondContact O-N 3.47Å; D15-G46 CarbonylContact O-C 3.58Å; D15-G46 WeakPolarHBondContact O-CA 3.49Å; D15-F47 HydrophobicContact CB-CD2 4.11Å; D15-F47 HydrophobicContact CB-CE2 4.42Å; D15-F47 WeakPolarHBondContact O-CD2 3.41Å; D15-F47 PolarHBondContact O-N 3.13Å
16	E	92	Very high	89.8	Confident	32 Å²	32	76.7 Å²	76.7	15%	0.15	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-92.7	146.6	178.5	-70.5	175.9	175.2	0	0	112.5	F9 A11 T12 A13 W36 F47	F9-E16 HydrophobicContact CE1-CB 4.19Å; F9-E16 HydrophobicContact CZ-CB 4.5Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.45Å; A11-E16 HydrophobicContact CB-CB 3.73Å; A11-E16 WeakPolarHBondContact CB-O 3.41Å; T12-E16 WeakPolarHBondContact CA-OE2 3.44Å; T12-E16 PolarHBondContact N-OE2 2.73Å; T12-E16 PolarHBondContact OG1-OE1 3.47Å; T12-E16 PolarHBondContact OG1-OE2 3.17Å; A13-E16 HydrophobicContact CB-CG 4.11Å; A13-E16 PolarHBondContact N-OE2 2.71Å; A13-E16 PolarHBondContact O-N 3.28Å; E16-W36 HydrophobicContact CG-CH2 4.13Å; E16-W36 HydrophobicContact CG-CZ3 3.93Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.5Å; E16-F47 WeakPolarHBondContact CA-O 3.44Å
17	L	91.8	Very high	89.4	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.063	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-101.5	117.7	179.9	-178.5	65.1	0	0	0	110.4	F9 F19 L25 A39 L41 K44 F47 I48	F9-L17 VanDerWaalsContact CD1-O 3.29Å; F9-L17 WeakPolarHBondContact CD1-O 3.36Å; L17-F19 WeakPolarHBondContact O-CD1 3.23Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; L17-A39 HydrophobicContact CD2-CB 4.34Å; L17-L41 HydrophobicContact CD1-CB 4.26Å; L17-L41 HydrophobicContact CD2-CB 3.78Å; L17-L41 HydrophobicContact CG-CB 4.32Å; L17-K44 HydrophobicContact CD1-CB 4.11Å; L17-F47 PolarHBondContact N-O 2.78Å; L17-I48 HydrophobicContact CB-CG2 3.78Å; L17-I48 HydrophobicContact CD2-CG2 4.1Å; L17-I48 HydrophobicContact CG-CG2 4.33Å
18	S	94.2	Very high	88.7	Confident	61 Å²	61	70 Å²	70	43%	0.427	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-75.3	139.9	173.2	-60.8	0	0	0	0	111.6	F9 A11	F9-S18 WeakPolarHBondContact O-CA 3.33Å; A11-S18 WeakPolarHBondContact CB-OG 3.31Å; A11-S18 PolarHBondContact N-OG 2.78Å
19	F	94.6	Very high	87.6	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.035	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-152.8	161.4	178.1	55.8	-97.2	0	0	0	111.7	A5 Y7 F9 L17 D23 L25 L41 I48 I53	A5-F19 HydrophobicContact CB-CD2 3.43Å; A5-F19 VanDerWaalsContact CB-CD2 3.43Å; A5-F19 HydrophobicContact CB-CE2 3.72Å; A5-F19 HydrophobicContact CB-CG 4.44Å; Y7-F19 WeakPolarHBondContact O-CE2 3.29Å; F9-F19 HydrophobicContact CB-CD1 4.09Å; F9-F19 HydrophobicContact CB-CD2 3.96Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.5Å; F9-F19 VanDerWaalsContact CB-CE2 3.5Å; F9-F19 HydrophobicContact CB-CG 4.26Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.06Å; F9-F19 AromaticContact CD1-CE1 3.51Å; F9-F19 HydrophobicContact CD1-CE1 3.51Å; F9-F19 HydrophobicContact CD1-CZ 4.02Å; F9-F19 AromaticContact CG-CE1 3.84Å; F9-F19 HydrophobicContact CG-CE1 3.84Å; F9-F19 AromaticContact CG-CZ 3.85Å; F9-F19 HydrophobicContact CG-CZ 3.85Å; F9-F19 PolarHBondContact N-O 2.92Å; F9-F19 PolarHBondContact O-N 3.19Å; L17-F19 WeakPolarHBondContact O-CD1 3.23Å; F19-D23 HydrophobicContact CB-CB 4.32Å; F19-L25 HydrophobicContact CB-CD1 4.38Å; F19-L25 HydrophobicContact CB-CD2 3.81Å; F19-L25 HydrophobicContact CD1-CD1 3.85Å; F19-L25 HydrophobicContact CD1-CD2 4.14Å; F19-L25 HydrophobicContact CD2-CD1 3.98Å; F19-L25 HydrophobicContact CE1-CD1 4.08Å; F19-L25 HydrophobicContact CE2-CD1 4.16Å; F19-L25 HydrophobicContact CG-CD1 3.81Å; F19-L25 HydrophobicContact CG-CD2 4.06Å; F19-L25 HydrophobicContact CZ-CD1 4.21Å; F19-L41 HydrophobicContact CB-CD2 3.93Å; F19-I48 HydrophobicContact CD1-CB 4.43Å; F19-I48 HydrophobicContact CD1-CG2 3.74Å; F19-I48 HydrophobicContact CE1-CB 3.63Å; F19-I48 HydrophobicContact CE1-CG2 3.41Å; F19-I48 VanDerWaalsContact CE1-CG2 3.41Å; F19-I48 HydrophobicContact CZ-CB 4.33Å; F19-I53 HydrophobicContact CE2-CG2 4.37Å; F19-I53 HydrophobicContact CZ-CG2 4.17Å
20	K	93.6	Very high	86	Confident	141 Å²	141	70.7 Å²	70.7	61%	0.613	37%	0.371	S	S	*	.			trans	-105.8	154.6	175	-66.4	-169.5	176.7	-168.6	0	111	A5 G22 D23	A5-K20 WeakPolarHBondContact CB-O 3.26Å; K20-G22 PolarHBondContact O-N 3.43Å; K20-D23 PolarHBondContact N-OD2 3.46Å; K20-D23 VanDerWaalsContact O-CB 3.22Å; K20-D23 WeakPolarHBondContact O-CB 3.22Å; K20-D23 VanDerWaalsContact O-CG 3.31Å; K20-D23 PolarHBondContact O-N 3.49Å
21	R	90	Very high	84.2	Confident	186 Å²	186	69.9 Å²	69.9	70%	0.702	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	129.4	170.2	175.7	177	176.6	-166	-0.8	109.7	K6 D8	K6-R21 VanDerWaalsContact O-CD 3.32Å; K6-R21 WeakPolarHBondContact O-CD 3.34Å; K6-R21 WeakPolarHBondContact O-CG 3.31Å; D8-R21 WeakPolarHBondContact OD1-CB 3.49Å; D8-R21 PolarHBondContact OD1-N 3.44Å
22	G	82.4	Confident	82.1	Confident	39 Å²	39	71.6 Å²	71.6	40%	0.402	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-11.5	-177.4	0	0	0	0	0	114.6	A5 K20	A5-G22 PolarHBondContact O-N 2.94Å; K20-G22 PolarHBondContact O-N 3.43Å
23	D	87.9	Confident	80.6	Confident	54 Å²	54	71.2 Å²	71.2	29%	0.289	37%	0.373	S	S	.	.			trans	-62.3	143.3	173.8	-74.8	-14.6	0	0	0	110.8	I4 A5 F19 K20 L41	I4-D23 WeakPolarHBondContact CA-O 3.27Å; A5-D23 HydrophobicContact CB-CB 4.39Å; A5-D23 PolarHBondContact N-O 2.82Å; F19-D23 HydrophobicContact CB-CB 4.32Å; K20-D23 PolarHBondContact N-OD2 3.46Å; K20-D23 VanDerWaalsContact O-CB 3.22Å; K20-D23 WeakPolarHBondContact O-CB 3.22Å; K20-D23 VanDerWaalsContact O-CG 3.31Å; K20-D23 PolarHBondContact O-N 3.49Å; D23-L41 HydrophobicContact CB-CD2 4.35Å
24	I	84.3	Confident	79.5	Confident	64 Å²	64	77.5 Å²	77.5	33%	0.328	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.7	175.1	-54.3	-52.4	0	0	0	108.5	E2 A3 I4 L41	E2-I24 HydrophobicContact CB-CG2 4.06Å; E2-I24 HydrophobicContact CG-CG2 4.1Å; E2-I24 WeakPolarHBondContact OE2-CG2 3.29Å; A3-I24 WeakPolarHBondContact O-CA 3.49Å; I4-I24 HydrophobicContact CB-CD1 4.1Å; I4-I24 HydrophobicContact CD1-CD1 4.26Å; I4-I24 HydrophobicContact CG1-CD1 4.05Å; I24-L41 WeakPolarHBondContact O-CD1 3.23Å
25	L	86.4	Confident	79.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129	-174.4	-60.9	166.2	0	0	0	109.3	E2 A3 A5 L17 F19 V27 A39 L41 I48 I53	E2-L25 CarbonylContact C-O 3.45Å; E2-L25 VanDerWaalsContact CA-O 3.32Å; E2-L25 WeakPolarHBondContact CA-O 3.47Å; A3-L25 PolarHBondContact N-O 2.78Å; A3-L25 PolarHBondContact O-N 2.98Å; A5-L25 HydrophobicContact CB-CD1 4.2Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; F19-L25 HydrophobicContact CB-CD1 4.38Å; F19-L25 HydrophobicContact CB-CD2 3.81Å; F19-L25 HydrophobicContact CD1-CD1 3.85Å; F19-L25 HydrophobicContact CD1-CD2 4.14Å; F19-L25 HydrophobicContact CD2-CD1 3.98Å; F19-L25 HydrophobicContact CE1-CD1 4.08Å; F19-L25 HydrophobicContact CE2-CD1 4.16Å; F19-L25 HydrophobicContact CG-CD1 3.81Å; F19-L25 HydrophobicContact CG-CD2 4.06Å; F19-L25 HydrophobicContact CZ-CD1 4.21Å; L25-V27 PolarHBondContact O-N 2.95Å; L25-A39 HydrophobicContact CB-CB 4.47Å; L25-L41 HydrophobicContact CD2-CB 3.9Å; L25-L41 HydrophobicContact CD2-CD1 4.25Å; L25-L41 HydrophobicContact CD2-CD2 3.91Å; L25-L41 HydrophobicContact CD2-CG 4.23Å; L25-I48 HydrophobicContact CB-CD1 4.19Å; L25-I48 HydrophobicContact CD1-CD1 3.77Å; L25-I53 HydrophobicContact CD1-CG2 3.65Å
26	K	82.1	Confident	79.1	Confident	22 Å²	22	72.8 Å²	72.8	10%	0.096	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	97.9	175.2	178.9	-175	172.3	-169.2	0	109.2	M1 L28 A39 E40 Y118	M1-K26 CarbonylContact O-C 3.54Å; K26-L28 HydrophobicContact CD-CD2 4.2Å; K26-L28 HydrophobicContact CG-CD2 4.15Å; K26-L28 PolarHBondContact O-N 3.13Å; K26-A39 CarbonylContact O-C 3.43Å; K26-A39 WeakPolarHBondContact O-CA 3.39Å; K26-A39 WeakPolarHBondContact O-CB 3.39Å; K26-E40 HydrophobicContact CB-CB 4.27Å; K26-E40 HydrophobicContact CD-CB 4.43Å; K26-E40 PolarHBondContact N-O 3.03Å; K26-E40 IonicContact NZ-OE2 3.74Å; K26-E40 PolarHBondContact NZ-OE2 3.06Å; K26-E40 VanDerWaalsContact NZ-OE2 3.15Å; K26-E40 PolarHBondContact O-N 3.47Å; K26-Y118 WeakPolarHBondContact CE-OH 3.24Å
27	V	82.2	Confident	78.7	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.042	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	116.7	174.4	-178.6	0	0	0	0	109.4	M1 A3 L25 E30 Y37 I48 I53 M55	M1-V27 HydrophobicContact CB-CB 4.44Å; M1-V27 PolarHBondContact N-O 3.39Å; M1-V27 WeakPolarHBondContact O-CA 3.32Å; M1-V27 PolarHBondContact O-N 2.94Å; A3-V27 HydrophobicContact CB-CG2 3.96Å; L25-V27 PolarHBondContact O-N 2.95Å; V27-E30 HydrophobicContact CG1-CG 4.45Å; V27-Y37 HydrophobicContact CG1-CD1 4.21Å; V27-Y37 HydrophobicContact CG1-CD2 4.48Å; V27-Y37 HydrophobicContact CG1-CG 4.01Å; V27-I48 HydrophobicContact CG2-CD1 4.41Å; V27-I53 HydrophobicContact CG2-CD1 4.22Å; V27-M55 HydrophobicContact CG2-SD 3.91Å
28	L	75.2	Confident	78.4	Confident	71 Å²	71	75.9 Å²	75.9	37%	0.372	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-34	-175.2	-63.3	-179.1	0	0	0	112.9	K26 K38 E40 D45	K26-L28 HydrophobicContact CD-CD2 4.2Å; K26-L28 HydrophobicContact CG-CD2 4.15Å; K26-L28 PolarHBondContact O-N 3.13Å; L28-K38 HydrophobicContact CD1-CG 4.46Å; L28-K38 PolarHBondContact N-O 2.98Å; L28-E40 HydrophobicContact CD1-CB 4.01Å; L28-E40 HydrophobicContact CD2-CB 4.17Å; L28-E40 HydrophobicContact CG-CB 4.11Å; L28-D45 HydrophobicContact CD1-CB 4.05Å
29	N	69.3	Low	78.2	Confident	64 Å²	64	73 Å²	73	34%	0.342	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139	178.2	-166.2	5.6	0	0	0	111.5	E31 K38	N29-E31 PolarHBondContact OD1-N 3.48Å; N29-K38 HydrophobicContact CB-CB 4.44Å; N29-K38 PolarHBondContact N-O 3.35Å; N29-K38 PolarHBondContact O-N 3.31Å
30	E	59.7	Low	77.8	Confident	82 Å²	82	75 Å²	75	38%	0.383	37%	0.366	S	S	.	.	S	Bend	trans	-94.5	-11	174	-63	-171.7	157.3	0	0	113	M1 V27 Y37 M55	M1-E30 HydrophobicContact CE-CG 4.17Å; M1-E30 WeakPolarHBondContact CE-OE1 3.33Å; V27-E30 HydrophobicContact CG1-CG 4.45Å; E30-Y37 HydrophobicContact CB-CD1 4.33Å; E30-Y37 HydrophobicContact CB-CE1 3.89Å; E30-Y37 HydrophobicContact CG-CD1 4.19Å; E30-Y37 HydrophobicContact CG-CE1 3.74Å; E30-M55 WeakPolarHBondContact OE1-CE 3.43Å
31	E	56.5	Low	77.5	Confident	159 Å²	159	69.4 Å²	69.4	74%	0.743	34%	0.343	S	S	*	.			trans	-107.6	53.1	-168.7	-61.7	-173.6	176	0	0	114.8	N29	N29-E31 PolarHBondContact OD1-N 3.48Å
32	C	47.7	Very low	77.1	Confident	68 Å²	68	67.9 Å²	67.9	46%	0.459	35%	0.349	S	S	.	.	S	Bend	trans	-127.2	-23.7	170.8	-70	0	0	0	0	115.2	F47	C32-F47 HydrophobicContact CB-CE1 4.16Å
33	D	57.7	Low	76.9	Confident	113 Å²	113	69 Å²	69	60%	0.604	36%	0.36	S	S	*	.			trans	-165.5	161.5	172.4	-116	-50	0	0	0	112	N35 K50	D33-N35 PolarHBondContact O-N 3.42Å; D33-K50 VanDerWaalsContact O-CE 3.28Å; D33-K50 WeakPolarHBondContact O-CE 3.32Å; D33-K50 PolarHBondContact O-NZ 2.8Å
34	Q	65.4	Low	76.7	Confident	170 Å²	170	73.8 Å²	73.8	79%	0.794	38%	0.378	S	S	*	.	S	Bend	trans	-63.6	-27.2	179.1	-77.8	-177.7	2.8	0	0	112.6	K50	Q34-K50 VanDerWaalsContact O-CD 3.28Å; Q34-K50 WeakPolarHBondContact O-CD 3.04Å; Q34-K50 VanDerWaalsContact O-CE 3.3Å; Q34-K50 WeakPolarHBondContact O-CE 3.37Å; Q34-K50 PolarHBondContact O-NZ 2.82Å
35	N	82.1	Confident	76.9	Confident	104 Å²	104	75 Å²	75	56%	0.556	39%	0.385	S	S	*	.	S	Bend	trans	-116	-6.8	-169.7	-63.3	84.1	0	0	0	115.6	D33 K50	D33-N35 PolarHBondContact O-N 3.42Å; N35-K50 WeakPolarHBondContact O-CG 3.45Å; N35-K50 PolarHBondContact O-N 3.05Å
36	W	85.1	Confident	77.1	Confident	72 Å²	72	75.2 Å²	75.2	27%	0.273	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.4	-176.7	-66.3	87	0	0	0	112.3	F9 E16 F47 I48 P49 K50	F9-W36 HydrophobicContact CE1-CZ3 4.3Å; F9-W36 HydrophobicContact CE2-CH2 4.27Å; F9-W36 AromaticContact CZ-CH2 3.74Å; F9-W36 HydrophobicContact CZ-CH2 3.74Å; F9-W36 AromaticContact CZ-CZ3 3.87Å; F9-W36 HydrophobicContact CZ-CZ3 3.87Å; E16-W36 HydrophobicContact CG-CH2 4.13Å; E16-W36 HydrophobicContact CG-CZ3 3.93Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.5Å; W36-F47 HydrophobicContact CB-CD1 4.37Å; W36-F47 HydrophobicContact CE3-CB 3.76Å; W36-F47 HydrophobicContact CZ3-CB 4.33Å; W36-I48 CarbonylContact C-O 3.56Å; W36-I48 WeakPolarHBondContact CA-O 3.13Å; W36-P49 HydrophobicContact CE3-CB 4.33Å; W36-P49 HydrophobicContact CH2-CB 4.37Å; W36-P49 HydrophobicContact CH2-CG 4.28Å; W36-P49 HydrophobicContact CZ3-CB 4.23Å; W36-P49 HydrophobicContact CZ3-CG 4.09Å; W36-K50 WeakPolarHBondContact O-CE 3.39Å
37	Y	84.7	Confident	77.5	Confident	39 Å²	39	76.8 Å²	76.8	15%	0.153	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.2	167.1	-73.3	-47.7	0	0	0	110	V27 E30 F47 I48 K50 I53 M55	V27-Y37 HydrophobicContact CG1-CD1 4.21Å; V27-Y37 HydrophobicContact CG1-CD2 4.48Å; V27-Y37 HydrophobicContact CG1-CG 4.01Å; E30-Y37 HydrophobicContact CB-CD1 4.33Å; E30-Y37 HydrophobicContact CB-CE1 3.89Å; E30-Y37 HydrophobicContact CG-CD1 4.19Å; E30-Y37 HydrophobicContact CG-CE1 3.74Å; Y37-F47 CarbonylContact O-C 3.56Å; Y37-F47 WeakPolarHBondContact O-CA 3Å; Y37-I48 PolarHBondContact N-O 3.19Å; Y37-I48 WeakPolarHBondContact O-CG1 3.33Å; Y37-I48 PolarHBondContact O-N 2.7Å; Y37-K50 HydrophobicContact CD1-CD 4.27Å; Y37-K50 HydrophobicContact CD1-CG 4.24Å; Y37-K50 HydrophobicContact CD2-CB 4.25Å; Y37-K50 HydrophobicContact CD2-CD 4.24Å; Y37-K50 HydrophobicContact CD2-CG 3.55Å; Y37-K50 HydrophobicContact CE1-CD 3.81Å; Y37-K50 HydrophobicContact CE1-CG 4.17Å; Y37-K50 HydrophobicContact CE2-CB 4.01Å; Y37-K50 HydrophobicContact CE2-CD 3.78Å; Y37-K50 HydrophobicContact CE2-CG 3.47Å; Y37-K50 VanDerWaalsContact CE2-CG 3.47Å; Y37-K50 HydrophobicContact CG-CD 4.46Å; Y37-K50 HydrophobicContact CG-CG 3.94Å; Y37-I53 HydrophobicContact CD2-CD1 3.55Å; Y37-I53 HydrophobicContact CD2-CG1 4.49Å; Y37-I53 HydrophobicContact CE2-CD1 4.08Å; Y37-M55 HydrophobicContact CE2-SD 4.34Å
38	K	85.9	Confident	77.9	Confident	70 Å²	70	76.4 Å²	76.4	30%	0.304	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.2	164.2	-170.8	165.6	-176.6	170.9	0	108.6	L28 N29 D45 F47	L28-K38 HydrophobicContact CD1-CG 4.46Å; L28-K38 PolarHBondContact N-O 2.98Å; N29-K38 HydrophobicContact CB-CB 4.44Å; N29-K38 PolarHBondContact N-O 3.35Å; N29-K38 PolarHBondContact O-N 3.31Å; K38-D45 WeakPolarHBondContact CE-OD2 3.43Å; K38-D45 IonicContact NZ-OD2 3.17Å; K38-D45 PolarHBondContact NZ-OD2 3.38Å; K38-F47 HydrophobicContact CB-CD1 4.3Å; K38-F47 HydrophobicContact CB-CE1 4.12Å
39	A	88.8	Confident	78.5	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	165.8	-179	0	0	0	0	0	112.6	L17 L25 K26 D45 G46 I48	L17-A39 HydrophobicContact CD2-CB 4.34Å; L25-A39 HydrophobicContact CB-CB 4.47Å; K26-A39 CarbonylContact O-C 3.43Å; K26-A39 WeakPolarHBondContact O-CA 3.39Å; K26-A39 WeakPolarHBondContact O-CB 3.39Å; A39-D45 CarbonylContact O-C 3.59Å; A39-D45 WeakPolarHBondContact O-CA 3.5Å; A39-D45 WeakPolarHBondContact O-CB 3.23Å; A39-G46 PolarHBondContact N-O 2.89Å; A39-G46 PolarHBondContact O-N 3.34Å; A39-G46 VanDerWaalsContact O-O 3.12Å; A39-I48 HydrophobicContact CB-CD1 3.35Å; A39-I48 HydrophobicContact CB-CG1 3.76Å; A39-I48 HydrophobicContact CB-CG2 4.11Å
40	E	87	Confident	79.4	Confident	49 Å²	49	72.9 Å²	72.9	23%	0.229	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	178.6	-169.8	-163.4	136.2	0	0	109.6	K26 L28 K44 D45	K26-E40 HydrophobicContact CB-CB 4.27Å; K26-E40 HydrophobicContact CD-CB 4.43Å; K26-E40 PolarHBondContact N-O 3.03Å; K26-E40 IonicContact NZ-OE2 3.74Å; K26-E40 PolarHBondContact NZ-OE2 3.06Å; K26-E40 VanDerWaalsContact NZ-OE2 3.15Å; K26-E40 PolarHBondContact O-N 3.47Å; L28-E40 HydrophobicContact CD1-CB 4.01Å; L28-E40 HydrophobicContact CD2-CB 4.17Å; L28-E40 HydrophobicContact CG-CB 4.11Å; E40-K44 CarbonylContact C-O 3.54Å; E40-K44 WeakPolarHBondContact CA-O 3.34Å; E40-D45 HydrophobicContact CB-CB 4.47Å
41	L	87	Confident	80.7	Confident	24 Å²	24	74.3 Å²	74.3	13%	0.126	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.1	171.6	-178	64.1	0	0	0	109.3	L17 F19 D23 I24 L25 G43 K44	L17-L41 HydrophobicContact CD1-CB 4.26Å; L17-L41 HydrophobicContact CD2-CB 3.78Å; L17-L41 HydrophobicContact CG-CB 4.32Å; F19-L41 HydrophobicContact CB-CD2 3.93Å; D23-L41 HydrophobicContact CB-CD2 4.35Å; I24-L41 WeakPolarHBondContact O-CD1 3.23Å; L25-L41 HydrophobicContact CD2-CB 3.9Å; L25-L41 HydrophobicContact CD2-CD1 4.25Å; L25-L41 HydrophobicContact CD2-CD2 3.91Å; L25-L41 HydrophobicContact CD2-CG 4.23Å; L41-G43 PolarHBondContact O-N 3.48Å; L41-K44 PolarHBondContact N-O 3.26Å; L41-K44 PolarHBondContact O-N 2.83Å
42	N	82	Confident	82.2	Confident	155 Å²	155	70.6 Å²	70.6	83%	0.829	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.6	178.4	-60.9	-40.1	0	0	0	114	K44	N42-K44 PolarHBondContact O-N 2.96Å
43	G	77.5	Confident	84	Confident	61 Å²	61	68 Å²	68	63%	0.629	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	4	179.9	0	0	0	0	0	115.1	L41	L41-G43 PolarHBondContact O-N 3.48Å
44	K	83.4	Confident	85	Confident	155 Å²	155	67 Å²	67	67%	0.674	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	131.7	167.4	-66.2	-173.8	177.4	-174.8	0	109.2	L17 E40 L41 N42	L17-K44 HydrophobicContact CD1-CB 4.11Å; E40-K44 CarbonylContact C-O 3.54Å; E40-K44 WeakPolarHBondContact CA-O 3.34Å; L41-K44 PolarHBondContact N-O 3.26Å; L41-K44 PolarHBondContact O-N 2.83Å; N42-K44 PolarHBondContact O-N 2.96Å
45	D	88.4	Confident	85.3	Confident	90 Å²	90	61.3 Å²	61.3	48%	0.481	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	156.5	171.4	68.5	-78	0	0	0	112.3	L28 K38 A39 E40	L28-D45 HydrophobicContact CD1-CB 4.05Å; K38-D45 WeakPolarHBondContact CE-OD2 3.43Å; K38-D45 IonicContact NZ-OD2 3.17Å; K38-D45 PolarHBondContact NZ-OD2 3.38Å; A39-D45 CarbonylContact O-C 3.59Å; A39-D45 WeakPolarHBondContact O-CA 3.5Å; A39-D45 WeakPolarHBondContact O-CB 3.23Å; E40-D45 HydrophobicContact CB-CB 4.47Å
46	G	90.7	Very high	84.6	Confident	4 Å²	4	60 Å²	60	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	179.2	175.1	0	0	0	0	0	111.4	D15 A39	D15-G46 CarbonylContact O-C 3.58Å; D15-G46 WeakPolarHBondContact O-CA 3.49Å; A39-G46 PolarHBondContact N-O 2.89Å; A39-G46 PolarHBondContact O-N 3.34Å; A39-G46 VanDerWaalsContact O-O 3.12Å
47	F	90.3	Very high	83.4	Confident	55 Å²	55	62 Å²	62	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.8	178.1	-68.5	-76.5	0	0	0	111.4	D15 E16 L17 C32 W36 Y37 K38	D15-F47 HydrophobicContact CB-CD2 4.11Å; D15-F47 HydrophobicContact CB-CE2 4.42Å; D15-F47 WeakPolarHBondContact O-CD2 3.41Å; D15-F47 PolarHBondContact O-N 3.13Å; E16-F47 WeakPolarHBondContact CA-O 3.44Å; L17-F47 PolarHBondContact N-O 2.78Å; C32-F47 HydrophobicContact CB-CE1 4.16Å; W36-F47 HydrophobicContact CB-CD1 4.37Å; W36-F47 HydrophobicContact CE3-CB 3.76Å; W36-F47 HydrophobicContact CZ3-CB 4.33Å; Y37-F47 CarbonylContact O-C 3.56Å; Y37-F47 WeakPolarHBondContact O-CA 3Å; K38-F47 HydrophobicContact CB-CD1 4.3Å; K38-F47 HydrophobicContact CB-CE1 4.12Å
48	I	90.9	Very high	82.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.7	176.5	63.5	170.3	0	0	0	110.4	L17 F19 L25 V27 W36 Y37 A39 I53	L17-I48 HydrophobicContact CB-CG2 3.78Å; L17-I48 HydrophobicContact CD2-CG2 4.1Å; L17-I48 HydrophobicContact CG-CG2 4.33Å; F19-I48 HydrophobicContact CD1-CB 4.43Å; F19-I48 HydrophobicContact CD1-CG2 3.74Å; F19-I48 HydrophobicContact CE1-CB 3.63Å; F19-I48 HydrophobicContact CE1-CG2 3.41Å; F19-I48 VanDerWaalsContact CE1-CG2 3.41Å; F19-I48 HydrophobicContact CZ-CB 4.33Å; L25-I48 HydrophobicContact CB-CD1 4.19Å; L25-I48 HydrophobicContact CD1-CD1 3.77Å; V27-I48 HydrophobicContact CG2-CD1 4.41Å; W36-I48 CarbonylContact C-O 3.56Å; W36-I48 WeakPolarHBondContact CA-O 3.13Å; Y37-I48 PolarHBondContact N-O 3.19Å; Y37-I48 WeakPolarHBondContact O-CG1 3.33Å; Y37-I48 PolarHBondContact O-N 2.7Å; A39-I48 HydrophobicContact CB-CD1 3.35Å; A39-I48 HydrophobicContact CB-CG1 3.76Å; A39-I48 HydrophobicContact CB-CG2 4.11Å; I48-I53 HydrophobicContact CD1-CD1 3.56Å; I48-I53 HydrophobicContact CD1-CG2 4.05Å; I48-I53 HydrophobicContact CG1-CD1 4.35Å
49	P	89.5	Confident	82.1	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.5	-179.8	17.1	-16.1	0	0	0	111.6	F9 W36 N51 Y52	F9-P49 HydrophobicContact CD2-CG 3.75Å; F9-P49 HydrophobicContact CE2-CG 3.75Å; F9-P49 HydrophobicContact CG-CG 4.17Å; F9-P49 HydrophobicContact CZ-CG 4.15Å; W36-P49 HydrophobicContact CE3-CB 4.33Å; W36-P49 HydrophobicContact CH2-CB 4.37Å; W36-P49 HydrophobicContact CH2-CG 4.28Å; W36-P49 HydrophobicContact CZ3-CB 4.23Å; W36-P49 HydrophobicContact CZ3-CG 4.09Å; P49-N51 VanDerWaalsContact C-N 3.31Å; P49-N51 PolarHBondContact O-N 3.26Å; P49-Y52 HydrophobicContact CB-CD2 3.86Å; P49-Y52 HydrophobicContact CB-CG 4.3Å; P49-Y52 HydrophobicContact CG-CD1 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.7Å; P49-Y52 HydrophobicContact CG-CE2 4.39Å; P49-Y52 HydrophobicContact CG-CG 3.72Å; P49-Y52 PolarHBondContact O-N 2.76Å; P49-Y52 VanDerWaalsContact O-N 3.09Å
50	K	86.4	Confident	82	Confident	52 Å²	52	61.9 Å²	61.9	23%	0.226	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-61	-37.4	-175.5	-64.4	-169.8	-172.1	175.2	0	113.1	D33 Q34 N35 W36 Y37 Y52 I53	D33-K50 VanDerWaalsContact O-CE 3.28Å; D33-K50 WeakPolarHBondContact O-CE 3.32Å; D33-K50 PolarHBondContact O-NZ 2.8Å; Q34-K50 VanDerWaalsContact O-CD 3.28Å; Q34-K50 WeakPolarHBondContact O-CD 3.04Å; Q34-K50 VanDerWaalsContact O-CE 3.3Å; Q34-K50 WeakPolarHBondContact O-CE 3.37Å; Q34-K50 PolarHBondContact O-NZ 2.82Å; N35-K50 WeakPolarHBondContact O-CG 3.45Å; N35-K50 PolarHBondContact O-N 3.05Å; W36-K50 WeakPolarHBondContact O-CE 3.39Å; Y37-K50 HydrophobicContact CD1-CD 4.27Å; Y37-K50 HydrophobicContact CD1-CG 4.24Å; Y37-K50 HydrophobicContact CD2-CB 4.25Å; Y37-K50 HydrophobicContact CD2-CD 4.24Å; Y37-K50 HydrophobicContact CD2-CG 3.55Å; Y37-K50 HydrophobicContact CE1-CD 3.81Å; Y37-K50 HydrophobicContact CE1-CG 4.17Å; Y37-K50 HydrophobicContact CE2-CB 4.01Å; Y37-K50 HydrophobicContact CE2-CD 3.78Å; Y37-K50 HydrophobicContact CE2-CG 3.47Å; Y37-K50 VanDerWaalsContact CE2-CG 3.47Å; Y37-K50 HydrophobicContact CG-CD 4.46Å; Y37-K50 HydrophobicContact CG-CG 3.94Å; K50-Y52 PolarHBondContact O-N 3.21Å; K50-I53 WeakPolarHBondContact O-CG1 2.93Å; K50-I53 PolarHBondContact O-N 3.42Å
51	N	87.1	Confident	81.9	Confident	113 Å²	113	61.7 Å²	61.7	60%	0.604	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-74.7	-7.1	-179.8	62.7	-41.4	0	0	0	113.8	P49	P49-N51 VanDerWaalsContact C-N 3.31Å; P49-N51 PolarHBondContact O-N 3.26Å
52	Y	88.5	Confident	81.7	Confident	80 Å²	80	63.7 Å²	63.7	31%	0.314	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-94.3	-2.7	177.9	-82.9	-118.7	0	0	0	113.2	K6 Y7 F9 P49 K50	K6-Y52 PolarHBondContact N-O 2.88Å; Y7-Y52 HydrophobicContact CD2-CD1 4.27Å; Y7-Y52 HydrophobicContact CD2-CG 4.34Å; Y7-Y52 HydrophobicContact CG-CD1 4.48Å; F9-Y52 HydrophobicContact CB-CD1 4.09Å; F9-Y52 HydrophobicContact CD2-CD1 4.26Å; F9-Y52 HydrophobicContact CD2-CE1 4.27Å; P49-Y52 HydrophobicContact CB-CD2 3.86Å; P49-Y52 HydrophobicContact CB-CG 4.3Å; P49-Y52 HydrophobicContact CG-CD1 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.7Å; P49-Y52 HydrophobicContact CG-CE2 4.39Å; P49-Y52 HydrophobicContact CG-CG 3.72Å; P49-Y52 PolarHBondContact O-N 2.76Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; K50-Y52 PolarHBondContact O-N 3.21Å
53	I	84.5	Confident	81.6	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.3	-175.5	71.3	176.8	0	0	0	110.8	A3 I4 F19 L25 V27 Y37 I48 K50	A3-I53 HydrophobicContact CB-CB 3.93Å; A3-I53 HydrophobicContact CB-CD1 3.52Å; A3-I53 HydrophobicContact CB-CG1 4Å; I4-I53 CarbonylContact O-C 3.52Å; I4-I53 VanDerWaalsContact O-CA 3.3Å; I4-I53 WeakPolarHBondContact O-CA 3.36Å; F19-I53 HydrophobicContact CE2-CG2 4.37Å; F19-I53 HydrophobicContact CZ-CG2 4.17Å; L25-I53 HydrophobicContact CD1-CG2 3.65Å; V27-I53 HydrophobicContact CG2-CD1 4.22Å; Y37-I53 HydrophobicContact CD2-CD1 3.55Å; Y37-I53 HydrophobicContact CD2-CG1 4.49Å; Y37-I53 HydrophobicContact CE2-CD1 4.08Å; I48-I53 HydrophobicContact CD1-CD1 3.56Å; I48-I53 HydrophobicContact CD1-CG2 4.05Å; I48-I53 HydrophobicContact CG1-CD1 4.35Å; K50-I53 WeakPolarHBondContact O-CG1 2.93Å; K50-I53 PolarHBondContact O-N 3.42Å
54	E	79.4	Confident	81.8	Confident	93 Å²	93	61.7 Å²	61.7	44%	0.435	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.3	167.3	177.1	165.8	-151.1	0	0	107.6	A3 I4 K6 K56	A3-E54 CarbonylContact C-O 3.55Å; A3-E54 VanDerWaalsContact CA-O 3.27Å; A3-E54 WeakPolarHBondContact CA-O 3.48Å; I4-E54 HydrophobicContact CG2-CB 3.83Å; I4-E54 HydrophobicContact CG2-CG 4.44Å; I4-E54 PolarHBondContact N-O 3.31Å; I4-E54 PolarHBondContact O-N 3.21Å; K6-E54 HydrophobicContact CD-CB 3.93Å; K6-E54 WeakPolarHBondContact CE-OE2 3.18Å; K6-E54 HydrophobicContact CG-CB 4.02Å; K6-E54 VanDerWaalsContact NZ-CD 3.34Å; K6-E54 IonicContact NZ-OE1 3.94Å; K6-E54 IonicContact NZ-OE2 3.65Å; K6-E54 PolarHBondContact NZ-OE2 3.28Å; K6-E54 VanDerWaalsContact NZ-OE2 3.17Å; E54-K56 PolarHBondContact O-N 3.21Å; E54-K56 VanDerWaalsContact O-N 3.17Å
55	M	73.1	Confident	81.8	Confident	51 Å²	51	55.6 Å²	55.6	25%	0.251	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	123	171.5	-68.4	-66.6	-79.1	0	0	107.2	M1 A3 V27 E30 Y37 P57	M1-M55 HydrophobicContact CB-CE 3.41Å; M1-M55 VanDerWaalsContact CB-CE 3.41Å; M1-M55 HydrophobicContact CE-CE 4.39Å; M1-M55 HydrophobicContact CG-CE 4.02Å; M1-M55 HydrophobicContact SD-CE 3.45Å; M1-M55 WeakPolarHBondContact SD-CE 3.31Å; A3-M55 HydrophobicContact CB-SD 3.87Å; V27-M55 HydrophobicContact CG2-SD 3.91Å; E30-M55 WeakPolarHBondContact OE1-CE 3.43Å; Y37-M55 HydrophobicContact CE2-SD 4.34Å; M55-P57 WeakPolarHBondContact O-CD 3.35Å
56	K	66.1	Low	81.8	Confident	76 Å²	76	54.3 Å²	54.3	33%	0.33	28%	0.275	S	S	.	.			trans	-72.2	113.6	174.5	-75.8	-170.3	176.4	-178.9	0	106.6	E2 I4 E54 H58	E2-K56 PolarHBondContact O-N 2.9Å; I4-K56 HydrophobicContact CG2-CG 4.41Å; E54-K56 PolarHBondContact O-N 3.21Å; E54-K56 VanDerWaalsContact O-N 3.17Å; K56-H58 PolarHBondContact O-CD2 2.85Å; K56-H58 PolarHBondContact O-N 2.85Å; K56-H58 VanDerWaalsContact O-N 3.08Å
57	P	59.3	Low	81.8	Confident	113 Å²	113	59.2 Å²	59.2	73%	0.734	29%	0.292	S	S	*	.			trans	-61.2	121.6	169.9	26.6	-31.9	0	0	0	106.5	M55 P59	M55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-P59 WeakPolarHBondContact O-CD 3.35Å
58	H	70.4	Confident	81.8	Confident	31 Å²	31	59.8 Å²	59.8	14%	0.144	31%	0.307	C	S	.	.			trans	-98.6	107.8	172.3	-71.5	-43.5	0	0	0	107	K56 W60 F61 N129	K56-H58 PolarHBondContact O-CD2 2.85Å; K56-H58 PolarHBondContact O-N 2.85Å; K56-H58 VanDerWaalsContact O-N 3.08Å; H58-W60 HydrophobicContact CB-CD2 3.95Å; H58-W60 HydrophobicContact CB-CE3 4.34Å; H58-W60 HydrophobicContact CB-CG 4.45Å; H58-W60 HydrophobicContact CB-CH2 4.21Å; H58-W60 HydrophobicContact CB-CZ2 3.8Å; H58-W60 HydrophobicContact CB-CZ3 4.45Å; H58-W60 AromaticContact CG-CE2 3.81Å; H58-W60 AromaticContact CG-CZ2 3.51Å; H58-W60 AromaticContact ND1-CE2 4Å; H58-W60 AromaticContact ND1-CZ2 3.72Å; H58-W60 PolarHBondContact O-N 3.48Å; H58-F61 HydrophobicContact CB-CB 3.83Å; H58-F61 PolarHBondContact O-N 2.86Å; H58-N129 PolarHBondContact CE1-ND2 3.08Å; H58-N129 PolarHBondContact NE2-ND2 3.15Å
59	P	73.8	Confident	81.7	Confident	64 Å²	64	63.9 Å²	63.9	42%	0.416	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.7	-178.8	-24.8	34.3	0	0	0	113.2	P57 F62	P57-P59 WeakPolarHBondContact O-CD 3.35Å; P59-F62 WeakPolarHBondContact O-CE2 3.28Å
60	W	86.5	Confident	81.8	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.045	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-10.5	179.5	50.5	-100.2	0	0	0	114.2	H58 F83 L84 I85 L128 N129 V132	H58-W60 HydrophobicContact CB-CD2 3.95Å; H58-W60 HydrophobicContact CB-CE3 4.34Å; H58-W60 HydrophobicContact CB-CG 4.45Å; H58-W60 HydrophobicContact CB-CH2 4.21Å; H58-W60 HydrophobicContact CB-CZ2 3.8Å; H58-W60 HydrophobicContact CB-CZ3 4.45Å; H58-W60 AromaticContact CG-CE2 3.81Å; H58-W60 AromaticContact CG-CZ2 3.51Å; H58-W60 AromaticContact ND1-CE2 4Å; H58-W60 AromaticContact ND1-CZ2 3.72Å; H58-W60 PolarHBondContact O-N 3.48Å; W60-F83 HydrophobicContact CB-CD2 4.21Å; W60-F83 HydrophobicContact CB-CE1 4.23Å; W60-F83 HydrophobicContact CB-CE2 3.42Å; W60-F83 VanDerWaalsContact CB-CE2 3.42Å; W60-F83 HydrophobicContact CB-CZ 3.41Å; W60-F83 VanDerWaalsContact CB-CZ 3.41Å; W60-F83 AromaticContact CD1-CZ 3.87Å; W60-F83 HydrophobicContact CD2-CE2 4.14Å; W60-F83 HydrophobicContact CD2-CZ 4.29Å; W60-F83 HydrophobicContact CE3-CE2 4.41Å; W60-F83 AromaticContact CG-CE2 3.73Å; W60-F83 HydrophobicContact CG-CE2 3.73Å; W60-F83 AromaticContact CG-CZ 3.58Å; W60-F83 HydrophobicContact CG-CZ 3.58Å; W60-L84 CarbonylContact O-C 3.54Å; W60-L84 VanDerWaalsContact O-CA 3.24Å; W60-L84 WeakPolarHBondContact O-CA 3.23Å; W60-I85 HydrophobicContact CE3-CB 4Å; W60-I85 HydrophobicContact CE3-CD1 3.89Å; W60-I85 HydrophobicContact CE3-CG1 3.96Å; W60-I85 HydrophobicContact CZ3-CB 4.18Å; W60-I85 HydrophobicContact CZ3-CD1 3.72Å; W60-I85 HydrophobicContact CZ3-CG1 4.21Å; W60-I85 PolarHBondContact O-N 3.33Å; W60-L128 HydrophobicContact CH2-CB 3.95Å; W60-L128 HydrophobicContact CZ3-CB 4.18Å; W60-N129 WeakPolarHBondContact CH2-OD1 3.43Å; W60-N129 HydrophobicContact CZ2-CB 4.45Å; W60-V132 HydrophobicContact CD2-CG2 4.13Å; W60-V132 HydrophobicContact CE3-CG2 4.12Å; W60-V132 HydrophobicContact CH2-CG2 4.19Å; W60-V132 HydrophobicContact CZ2-CB 4.49Å; W60-V132 HydrophobicContact CZ2-CG2 4.18Å; W60-V132 HydrophobicContact CZ3-CG2 4.16Å
61	F	85.7	Confident	82.2	Confident	45 Å²	45	64.4 Å²	64.4	20%	0.197	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-97.5	115.9	178.4	-174.5	-107.6	0	0	0	110.7	M1 H58 I85 F95	M1-F61 HydrophobicContact CE-CE1 4.4Å; M1-F61 HydrophobicContact CG-CD1 4.3Å; M1-F61 HydrophobicContact CG-CE1 4.02Å; M1-F61 HydrophobicContact SD-CD1 4.48Å; M1-F61 HydrophobicContact SD-CE1 4.18Å; H58-F61 HydrophobicContact CB-CB 3.83Å; H58-F61 PolarHBondContact O-N 2.86Å; F61-I85 HydrophobicContact CD2-CB 4.26Å; F61-I85 HydrophobicContact CD2-CG2 4.05Å; F61-I85 HydrophobicContact CE2-CG2 4.33Å; F61-F95 AromaticContact CE2-CD1 3.97Å; F61-F95 HydrophobicContact CE2-CD1 3.97Å; F61-F95 AromaticContact CE2-CE1 3.72Å; F61-F95 HydrophobicContact CE2-CE1 3.72Å; F61-F95 AromaticContact CZ-CE1 3.97Å; F61-F95 HydrophobicContact CZ-CE1 3.97Å
62	F	81.4	Confident	82.4	Confident	66 Å²	66	63 Å²	63	29%	0.289	32%	0.317	S	S	.	.			trans	-110.5	10	-175.3	-74.6	-99.7	0	0	0	113.2	P59 K64 I65 M73 L84 I85 I151	P59-F62 WeakPolarHBondContact O-CE2 3.28Å; F62-K64 PolarHBondContact O-N 3.34Å; F62-I65 HydrophobicContact CB-CD1 3.47Å; F62-I65 VanDerWaalsContact CB-CD1 3.47Å; F62-I65 HydrophobicContact CB-CG1 3.71Å; F62-I65 HydrophobicContact CB-CG2 4.1Å; F62-I65 HydrophobicContact CD1-CD1 4.46Å; F62-I65 HydrophobicContact CG-CD1 4.05Å; F62-I65 WeakPolarHBondContact O-CG2 3.4Å; F62-M73 HydrophobicContact CD1-CE 3.82Å; F62-M73 HydrophobicContact CE1-CE 3.28Å; F62-M73 HydrophobicContact CZ-CE 3.86Å; F62-L84 HydrophobicContact CD2-CB 3.49Å; F62-L84 VanDerWaalsContact CD2-CB 3.49Å; F62-L84 HydrophobicContact CD2-CD2 4.11Å; F62-L84 HydrophobicContact CD2-CG 4.33Å; F62-L84 HydrophobicContact CE2-CB 3.74Å; F62-L84 HydrophobicContact CE2-CD2 4.31Å; F62-L84 HydrophobicContact CG-CB 4.44Å; F62-L84 HydrophobicContact CG-CD2 4.42Å; F62-I85 PolarHBondContact N-O 3.34Å; F62-I151 HydrophobicContact CE2-CD1 4.01Å; F62-I151 HydrophobicContact CZ-CD1 4.25Å
63	G	81.6	Confident	82.4	Confident	13 Å²	13	61 Å²	61	13%	0.134	31%	0.311	C	S	.	.	S	Bend	trans	55.5	-133.5	178.2	0	0	0	0	0	112.9	I65 R86 E87	G63-I65 VanDerWaalsContact C-N 3.3Å; G63-I65 PolarHBondContact O-N 2.91Å; G63-R86 CarbonylContact O-C 3.6Å; G63-R86 WeakPolarHBondContact O-CA 3.47Å; G63-R86 WeakPolarHBondContact O-CB 3.11Å; G63-E87 PolarHBondContact O-N 3Å
64	K	80.2	Confident	82.8	Confident	161 Å²	161	60.4 Å²	60.4	70%	0.7	31%	0.308	S	S	*	.	S	Bend	trans	-80.8	67.7	-178.6	-63.8	178.4	-177.2	169.9	0	112.2	F62 E87	F62-K64 PolarHBondContact O-N 3.34Å; K64-E87 WeakPolarHBondContact CE-OE2 3.48Å; K64-E87 HydrophobicContact CG-CB 4.23Å; K64-E87 HydrophobicContact CG-CG 4.28Å; K64-E87 WeakPolarHBondContact CG-OE1 3.4Å; K64-E87 WeakPolarHBondContact CG-OE2 3.47Å
65	I	83.6	Confident	83.4	Confident	28 Å²	28	58.1 Å²	58.1	14%	0.144	31%	0.31	C	S	.	.			trans	-100.2	140.8	167.5	58.3	160.7	0	0	0	112.1	F62 G63 A70 L84 R86	F62-I65 HydrophobicContact CB-CD1 3.47Å; F62-I65 VanDerWaalsContact CB-CD1 3.47Å; F62-I65 HydrophobicContact CB-CG1 3.71Å; F62-I65 HydrophobicContact CB-CG2 4.1Å; F62-I65 HydrophobicContact CD1-CD1 4.46Å; F62-I65 HydrophobicContact CG-CD1 4.05Å; F62-I65 WeakPolarHBondContact O-CG2 3.4Å; G63-I65 VanDerWaalsContact C-N 3.3Å; G63-I65 PolarHBondContact O-N 2.91Å; I65-A70 HydrophobicContact CD1-CB 4.03Å; I65-L84 HydrophobicContact CD1-CD1 3.84Å; I65-L84 HydrophobicContact CD1-CD2 3.83Å; I65-L84 HydrophobicContact CD1-CG 4.48Å; I65-R86 HydrophobicContact CD1-CB 4.31Å; I65-R86 HydrophobicContact CG1-CB 3.61Å; I65-R86 WeakPolarHBondContact O-CD 3.22Å; I65-R86 PolarHBondContact O-NH1 3.07Å
66	P	88.6	Confident	84.2	Confident	63 Å²	63	61.9 Å²	61.9	41%	0.409	33%	0.325	S	S	.	.			trans	-64.1	152.9	174.8	-24.4	34.6	0	0	0	113.3	A68 K69 A70 E89	P66-A68 VanDerWaalsContact C-N 3.28Å; P66-A68 PolarHBondContact O-N 2.99Å; P66-K69 HydrophobicContact CB-CB 4.45Å; P66-K69 PolarHBondContact O-N 3.02Å; P66-A70 PolarHBondContact O-N 3.4Å; P66-E89 WeakPolarHBondContact CA-OE1 3.15Å; P66-E89 WeakPolarHBondContact CB-OE1 3.27Å
67	R	90.9	Very high	85.4	Confident	106 Å²	106	58.9 Å²	58.9	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-52.5	-47.9	174.4	-175.3	180	165.5	111.6	5.5	111.8	K69 A70 E71 R86 E89 H107	R67-K69 PolarHBondContact O-N 3.37Å; R67-A70 WeakPolarHBondContact O-CB 3.43Å; R67-A70 PolarHBondContact O-N 2.83Å; R67-A70 VanDerWaalsContact O-N 3.13Å; R67-E71 HydrophobicContact CG-CG 4.49Å; R67-E71 IonicContact CZ-OE1 3.27Å; R67-E71 VanDerWaalsContact CZ-OE1 3.27Å; R67-E71 IonicContact NE-OE1 2.78Å; R67-E71 PolarHBondContact NE-OE1 2.89Å; R67-E71 IonicContact NH2-OE1 2.92Å; R67-E71 PolarHBondContact NH2-OE1 3Å; R67-E71 WeakPolarHBondContact O-CG 3.26Å; R67-E71 PolarHBondContact O-N 2.81Å; R67-R86 VanDerWaalsContact CB-NH2 3.33Å; R67-E89 VanDerWaalsContact CB-OE2 3.29Å; R67-E89 WeakPolarHBondContact CB-OE2 3.44Å; R67-E89 PolarHBondContact N-OE2 2.94Å; R67-H107 PolarHBondContact NH1-CD2 2.81Å; R67-H107 VanDerWaalsContact NH1-CG 3.32Å; R67-H107 PolarHBondContact NH2-CD2 3.29Å; R67-H107 PolarHBondContact NH2-NE2 2.82Å
68	A	91.1	Very high	86.8	Confident	68 Å²	68	64.1 Å²	64.1	56%	0.562	32%	0.317	S	S	*	.	H	α-helix	trans	-60.1	-36.7	-179.4	0	0	0	0	0	112	P66 E71 E72	P66-A68 VanDerWaalsContact C-N 3.28Å; P66-A68 PolarHBondContact O-N 2.99Å; A68-E71 PolarHBondContact O-N 2.97Å; A68-E72 PolarHBondContact O-N 2.89Å
69	K	88.8	Confident	87.8	Confident	85 Å²	85	64.3 Å²	64.3	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-39.3	177.1	-170.7	52.9	168.2	-178.8	0	111.6	P66 R67 E71 E72 M73	P66-K69 HydrophobicContact CB-CB 4.45Å; P66-K69 PolarHBondContact O-N 3.02Å; R67-K69 PolarHBondContact O-N 3.37Å; K69-E71 VanDerWaalsContact C-N 3.33Å; K69-E72 VanDerWaalsContact CD-OE2 3.27Å; K69-E72 WeakPolarHBondContact CD-OE2 3.46Å; K69-E72 VanDerWaalsContact NZ-CD 3.29Å; K69-E72 IonicContact NZ-OE1 3.94Å; K69-E72 PolarHBondContact NZ-OE1 2.88Å; K69-E72 VanDerWaalsContact NZ-OE1 3.17Å; K69-E72 IonicContact NZ-OE2 3.69Å; K69-E72 PolarHBondContact NZ-OE2 3.31Å; K69-E72 PolarHBondContact O-N 2.81Å; K69-M73 HydrophobicContact CD-CG 4.37Å; K69-M73 HydrophobicContact CD-SD 4.43Å; K69-M73 HydrophobicContact CG-SD 4.05Å; K69-M73 WeakPolarHBondContact O-CB 3.24Å; K69-M73 VanDerWaalsContact O-CG 3.23Å; K69-M73 WeakPolarHBondContact O-CG 3.47Å; K69-M73 PolarHBondContact O-N 2.79Å
70	A	91.1	Very high	88.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-44.1	172.9	0	0	0	0	0	111.8	I65 P66 R67 M73 L74 L84	I65-A70 HydrophobicContact CD1-CB 4.03Å; P66-A70 PolarHBondContact O-N 3.4Å; R67-A70 WeakPolarHBondContact O-CB 3.43Å; R67-A70 PolarHBondContact O-N 2.83Å; R67-A70 VanDerWaalsContact O-N 3.13Å; A70-M73 PolarHBondContact O-N 2.85Å; A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 WeakPolarHBondContact O-CG 3.37Å; A70-L74 PolarHBondContact O-N 2.9Å; A70-L84 HydrophobicContact CB-CD1 3.82Å; A70-L84 HydrophobicContact CB-CD2 4.1Å; A70-L84 HydrophobicContact CB-CG 4.42Å
71	E	94.4	Very high	89.2	Confident	71 Å²	71	64.2 Å²	64.2	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.4	-69.9	171.9	171.3	0	0	111.6	R67 A68 K69 M73 G75 V105 H107	R67-E71 HydrophobicContact CG-CG 4.49Å; R67-E71 IonicContact CZ-OE1 3.27Å; R67-E71 VanDerWaalsContact CZ-OE1 3.27Å; R67-E71 IonicContact NE-OE1 2.78Å; R67-E71 PolarHBondContact NE-OE1 2.89Å; R67-E71 IonicContact NH2-OE1 2.92Å; R67-E71 PolarHBondContact NH2-OE1 3Å; R67-E71 WeakPolarHBondContact O-CG 3.26Å; R67-E71 PolarHBondContact O-N 2.81Å; A68-E71 PolarHBondContact O-N 2.97Å; K69-E71 VanDerWaalsContact C-N 3.33Å; E71-M73 PolarHBondContact O-N 2.78Å; E71-G75 PolarHBondContact O-N 3.01Å; E71-V105 HydrophobicContact CG-CB 4.13Å; E71-V105 HydrophobicContact CG-CG1 4.3Å; E71-H107 IonicContact OE1-CE1 3.79Å; E71-H107 IonicContact OE1-NE2 3.1Å; E71-H107 PolarHBondContact OE1-NE2 3.47Å
72	E	90.8	Very high	89.6	Confident	84 Å²	84	62 Å²	62	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-44.4	176.2	-168.6	-150.8	135.4	0	0	112.4	A68 K69 K76	A68-E72 PolarHBondContact O-N 2.89Å; K69-E72 VanDerWaalsContact CD-OE2 3.27Å; K69-E72 WeakPolarHBondContact CD-OE2 3.46Å; K69-E72 VanDerWaalsContact NZ-CD 3.29Å; K69-E72 IonicContact NZ-OE1 3.94Å; K69-E72 PolarHBondContact NZ-OE1 2.88Å; K69-E72 VanDerWaalsContact NZ-OE1 3.17Å; K69-E72 IonicContact NZ-OE2 3.69Å; K69-E72 PolarHBondContact NZ-OE2 3.31Å; K69-E72 PolarHBondContact O-N 2.81Å; E72-K76 WeakPolarHBondContact O-CG 3.42Å; E72-K76 IonicContact OE1-NZ 3.55Å; E72-K76 PolarHBondContact OE1-NZ 2.77Å
73	M	89.3	Confident	90.3	Very high	38 Å²	38	58.9 Å²	58.9	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-69.5	-45.2	-178.2	-69.9	175.1	68.6	0	0	111.8	F62 K69 A70 E71 K76	F62-M73 HydrophobicContact CD1-CE 3.82Å; F62-M73 HydrophobicContact CE1-CE 3.28Å; F62-M73 HydrophobicContact CZ-CE 3.86Å; K69-M73 HydrophobicContact CD-CG 4.37Å; K69-M73 HydrophobicContact CD-SD 4.43Å; K69-M73 HydrophobicContact CG-SD 4.05Å; K69-M73 WeakPolarHBondContact O-CB 3.24Å; K69-M73 VanDerWaalsContact O-CG 3.23Å; K69-M73 WeakPolarHBondContact O-CG 3.47Å; K69-M73 PolarHBondContact O-N 2.79Å; A70-M73 PolarHBondContact O-N 2.85Å; E71-M73 PolarHBondContact O-N 2.78Å; M73-K76 PolarHBondContact O-N 2.86Å
74	L	93.2	Very high	90.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-71.4	-33.9	178.9	-70.8	176.7	0	0	0	111.9	A70 K76 Q77 A82 L84 S98 K100 V105 I151	A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 WeakPolarHBondContact O-CG 3.37Å; A70-L74 PolarHBondContact O-N 2.9Å; L74-K76 PolarHBondContact O-N 3.05Å; L74-Q77 HydrophobicContact CD2-CG 4.46Å; L74-Q77 VanDerWaalsContact O-CB 3.28Å; L74-Q77 WeakPolarHBondContact O-CB 3.4Å; L74-Q77 PolarHBondContact O-N 3.4Å; L74-A82 HydrophobicContact CD2-CB 4.22Å; L74-A82 VanDerWaalsContact CD2-O 3.31Å; L74-A82 WeakPolarHBondContact CD2-O 3.47Å; L74-L84 HydrophobicContact CD1-CD2 4.41Å; L74-L84 HydrophobicContact CD1-CG 4.15Å; L74-L84 HydrophobicContact CD2-CD2 4.48Å; L74-L84 HydrophobicContact CG-CD2 4.17Å; L74-L84 HydrophobicContact CG-CG 4.36Å; L74-S98 WeakPolarHBondContact CD1-O 3.33Å; L74-K100 HydrophobicContact CB-CB 4.44Å; L74-K100 WeakPolarHBondContact O-CD 3.23Å; L74-V105 HydrophobicContact CB-CG1 4.38Å; L74-V105 HydrophobicContact CB-CG2 3.75Å; L74-V105 HydrophobicContact CD1-CG1 3.58Å; L74-V105 HydrophobicContact CD1-CG2 4.46Å; L74-I151 HydrophobicContact CD2-CD1 3.64Å; L74-I151 HydrophobicContact CD2-CG1 3.84Å
75	G	91.4	Very high	91.5	Very high	46 Å²	46	50.6 Å²	50.6	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-29.6	175.2	0	0	0	0	0	113.5	E71 Q77	E71-G75 PolarHBondContact O-N 3.01Å; G75-Q77 VanDerWaalsContact C-N 3.3Å; G75-Q77 PolarHBondContact O-N 2.75Å
76	K	89.2	Confident	91.8	Very high	129 Å²	129	49.8 Å²	49.8	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-11	177.2	-65.8	172	-167.3	175	0	114	E72 M73 L74	E72-K76 WeakPolarHBondContact O-CG 3.42Å; E72-K76 IonicContact OE1-NZ 3.55Å; E72-K76 PolarHBondContact OE1-NZ 2.77Å; M73-K76 PolarHBondContact O-N 2.86Å; L74-K76 PolarHBondContact O-N 3.05Å
77	Q	91.1	Very high	91.7	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.065	24%	0.241	C	C	.	.			trans	-75.3	145	-176.9	-63.3	-66.9	-58	0	0	111.4	L74 G75 A82 K100 I151 E152	L74-Q77 HydrophobicContact CD2-CG 4.46Å; L74-Q77 VanDerWaalsContact O-CB 3.28Å; L74-Q77 WeakPolarHBondContact O-CB 3.4Å; L74-Q77 PolarHBondContact O-N 3.4Å; G75-Q77 VanDerWaalsContact C-N 3.3Å; G75-Q77 PolarHBondContact O-N 2.75Å; Q77-A82 HydrophobicContact CB-CB 3.56Å; Q77-A82 HydrophobicContact CG-CB 3.66Å; Q77-K100 HydrophobicContact CB-CD 3.91Å; Q77-K100 WeakPolarHBondContact O-CD 3.44Å; Q77-K100 WeakPolarHBondContact O-CE 3.3Å; Q77-I151 HydrophobicContact CG-CG2 4.41Å; Q77-E152 PolarHBondContact NE2-O 3.1Å
78	R	88.9	Confident	91.3	Very high	222 Å²	222	45 Å²	45	84%	0.838	23%	0.225	S	C	*	.	S	Bend	trans	-88.8	-13.6	-173.8	-67.8	179.1	172.3	-171.7	-1.6	114.2
79	H	91.5	Very high	90.7	Very high	36 Å²	36	47.2 Å²	47.2	17%	0.167	22%	0.224	C	C	.	.	S	Bend	trans	-129.6	147	-174.1	58.3	74.8	0	0	0	111.5	D150 E152	H79-D150 PolarHBondContact CE1-O 2.73Å; H79-E152 IonicContact CD2-OE1 2.73Å; H79-E152 IonicContact NE2-OE1 3.99Å
80	D	94.9	Very high	90.1	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	155.6	169.8	-72.4	-17.6	0	0	0	111.1	A82 F101 G102	D80-A82 PolarHBondContact O-N 2.84Å; D80-F101 HydrophobicContact CB-CD2 4.27Å; D80-G102 PolarHBondContact OD1-N 2.75Å
81	G	94.6	Very high	89.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7.5	-179.2	0	0	0	0	0	114.3	F83 K100 F147 R149	G81-F83 PolarHBondContact O-N 2.77Å; G81-K100 PolarHBondContact N-O 3.35Å; G81-F147 WeakPolarHBondContact CA-O 3.44Å; G81-R149 PolarHBondContact O-N 2.79Å; G81-R149 VanDerWaalsContact O-O 3.13Å
82	A	95.5	Very high	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	123.9	170.3	0	0	0	0	0	108.9	L74 Q77 D80 V99 K100 R149 I151	L74-A82 HydrophobicContact CD2-CB 4.22Å; L74-A82 VanDerWaalsContact CD2-O 3.31Å; L74-A82 WeakPolarHBondContact CD2-O 3.47Å; Q77-A82 HydrophobicContact CB-CB 3.56Å; Q77-A82 HydrophobicContact CG-CB 3.66Å; D80-A82 PolarHBondContact O-N 2.84Å; A82-V99 CarbonylContact O-C 3.59Å; A82-V99 WeakPolarHBondContact O-CA 3.24Å; A82-K100 HydrophobicContact CB-CB 4.19Å; A82-K100 PolarHBondContact O-N 2.82Å; A82-R149 VanDerWaalsContact CA-O 3.27Å; A82-R149 WeakPolarHBondContact CA-O 3.04Å; A82-I151 HydrophobicContact CB-CG1 4.46Å
83	F	96.3	Very high	87.4	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.7	-171	82.5	-76.7	0	0	0	113.6	W60 G81 I85 L97 S98 V99 V132 L148 R149 I151	W60-F83 HydrophobicContact CB-CD2 4.21Å; W60-F83 HydrophobicContact CB-CE1 4.23Å; W60-F83 HydrophobicContact CB-CE2 3.42Å; W60-F83 VanDerWaalsContact CB-CE2 3.42Å; W60-F83 HydrophobicContact CB-CZ 3.41Å; W60-F83 VanDerWaalsContact CB-CZ 3.41Å; W60-F83 AromaticContact CD1-CZ 3.87Å; W60-F83 HydrophobicContact CD2-CE2 4.14Å; W60-F83 HydrophobicContact CD2-CZ 4.29Å; W60-F83 HydrophobicContact CE3-CE2 4.41Å; W60-F83 AromaticContact CG-CE2 3.73Å; W60-F83 HydrophobicContact CG-CE2 3.73Å; W60-F83 AromaticContact CG-CZ 3.58Å; W60-F83 HydrophobicContact CG-CZ 3.58Å; G81-F83 PolarHBondContact O-N 2.77Å; F83-I85 HydrophobicContact CD2-CG1 4.49Å; F83-I85 HydrophobicContact CE2-CG1 4.46Å; F83-L97 HydrophobicContact CD2-CD1 4.41Å; F83-L97 HydrophobicContact CD2-CG 4.44Å; F83-S98 CarbonylContact C-O 3.57Å; F83-S98 WeakPolarHBondContact CA-O 3.19Å; F83-S98 WeakPolarHBondContact CB-O 3.19Å; F83-V99 HydrophobicContact CB-CB 4Å; F83-V99 HydrophobicContact CB-CG2 4.06Å; F83-V132 HydrophobicContact CE1-CG1 4.38Å; F83-V132 HydrophobicContact CE2-CG1 3.96Å; F83-V132 HydrophobicContact CE2-CG2 3.75Å; F83-V132 HydrophobicContact CZ-CB 4.46Å; F83-V132 HydrophobicContact CZ-CG1 3.45Å; F83-V132 VanDerWaalsContact CZ-CG1 3.45Å; F83-V132 HydrophobicContact CZ-CG2 4.13Å; F83-L148 HydrophobicContact CB-CD2 3.83Å; F83-L148 HydrophobicContact CD1-CB 3.62Å; F83-L148 HydrophobicContact CD1-CD1 4.49Å; F83-L148 HydrophobicContact CD1-CD2 4.05Å; F83-L148 HydrophobicContact CD1-CG 4.23Å; F83-L148 HydrophobicContact CD2-CD1 4.17Å; F83-L148 HydrophobicContact CD2-CD2 4.22Å; F83-L148 HydrophobicContact CE1-CB 3.73Å; F83-L148 HydrophobicContact CE2-CD1 4.15Å; F83-L148 HydrophobicContact CG-CB 4.18Å; F83-L148 HydrophobicContact CG-CD1 4.36Å; F83-L148 HydrophobicContact CG-CD2 3.75Å; F83-L148 HydrophobicContact CG-CG 4.29Å; F83-L148 HydrophobicContact CZ-CB 4.32Å; F83-L148 HydrophobicContact CZ-CD1 4.35Å; F83-R149 WeakPolarHBondContact CD1-O 3.14Å; F83-R149 PolarHBondContact N-O 3.35Å; F83-I151 VanDerWaalsContact O-CD1 3.23Å; F83-I151 WeakPolarHBondContact O-CD1 3.3Å; F83-I151 VanDerWaalsContact O-CG1 3.27Å; F83-I151 WeakPolarHBondContact O-CG1 3.44Å
84	L	94.1	Very high	87.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.9	165.6	58.5	80	0	0	0	111	W60 F62 I65 A70 L74 R86 S98 I151	W60-L84 CarbonylContact O-C 3.54Å; W60-L84 VanDerWaalsContact O-CA 3.24Å; W60-L84 WeakPolarHBondContact O-CA 3.23Å; F62-L84 HydrophobicContact CD2-CB 3.49Å; F62-L84 VanDerWaalsContact CD2-CB 3.49Å; F62-L84 HydrophobicContact CD2-CD2 4.11Å; F62-L84 HydrophobicContact CD2-CG 4.33Å; F62-L84 HydrophobicContact CE2-CB 3.74Å; F62-L84 HydrophobicContact CE2-CD2 4.31Å; F62-L84 HydrophobicContact CG-CB 4.44Å; F62-L84 HydrophobicContact CG-CD2 4.42Å; I65-L84 HydrophobicContact CD1-CD1 3.84Å; I65-L84 HydrophobicContact CD1-CD2 3.83Å; I65-L84 HydrophobicContact CD1-CG 4.48Å; A70-L84 HydrophobicContact CB-CD1 3.82Å; A70-L84 HydrophobicContact CB-CD2 4.1Å; A70-L84 HydrophobicContact CB-CG 4.42Å; L74-L84 HydrophobicContact CD1-CD2 4.41Å; L74-L84 HydrophobicContact CD1-CG 4.15Å; L74-L84 HydrophobicContact CD2-CD2 4.48Å; L74-L84 HydrophobicContact CG-CD2 4.17Å; L74-L84 HydrophobicContact CG-CG 4.36Å; L84-R86 HydrophobicContact CD1-CB 4.21Å; L84-R86 HydrophobicContact CD1-CG 4.36Å; L84-S98 PolarHBondContact N-O 2.89Å; L84-S98 PolarHBondContact O-N 3.33Å; L84-I151 HydrophobicContact CB-CD1 3.9Å; L84-I151 HydrophobicContact CD2-CD1 3.98Å; L84-I151 HydrophobicContact CG-CD1 4.35Å
85	I	92.7	Very high	87	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.8	168.7	-61.6	-172.2	0	0	0	108.1	W60 F61 F62 F83 F95 S96 L97 L128 V132	W60-I85 HydrophobicContact CE3-CB 4Å; W60-I85 HydrophobicContact CE3-CD1 3.89Å; W60-I85 HydrophobicContact CE3-CG1 3.96Å; W60-I85 HydrophobicContact CZ3-CB 4.18Å; W60-I85 HydrophobicContact CZ3-CD1 3.72Å; W60-I85 HydrophobicContact CZ3-CG1 4.21Å; W60-I85 PolarHBondContact O-N 3.33Å; F61-I85 HydrophobicContact CD2-CB 4.26Å; F61-I85 HydrophobicContact CD2-CG2 4.05Å; F61-I85 HydrophobicContact CE2-CG2 4.33Å; F62-I85 PolarHBondContact N-O 3.34Å; F83-I85 HydrophobicContact CD2-CG1 4.49Å; F83-I85 HydrophobicContact CE2-CG1 4.46Å; I85-F95 HydrophobicContact CG2-CB 4.03Å; I85-F95 HydrophobicContact CG2-CD1 4.38Å; I85-F95 HydrophobicContact CG2-CG 4.42Å; I85-S96 WeakPolarHBondContact CA-O 3.27Å; I85-L97 HydrophobicContact CD1-CD1 4.37Å; I85-L97 HydrophobicContact CG1-CB 4.27Å; I85-L97 HydrophobicContact CG1-CD1 4.38Å; I85-L97 HydrophobicContact CG1-CG 4.3Å; I85-L128 HydrophobicContact CD1-CB 4.45Å; I85-L128 HydrophobicContact CD1-CD2 4.36Å; I85-L128 HydrophobicContact CG2-CD1 4.25Å; I85-V132 HydrophobicContact CD1-CG2 3.69Å
86	R	90.2	Very high	87.1	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.8	178.5	65.9	-175.9	-172.1	94.1	1.7	110.5	G63 I65 R67 L84 E89 F95 S96	G63-R86 CarbonylContact O-C 3.6Å; G63-R86 WeakPolarHBondContact O-CA 3.47Å; G63-R86 WeakPolarHBondContact O-CB 3.11Å; I65-R86 HydrophobicContact CD1-CB 4.31Å; I65-R86 HydrophobicContact CG1-CB 3.61Å; I65-R86 WeakPolarHBondContact O-CD 3.22Å; I65-R86 PolarHBondContact O-NH1 3.07Å; R67-R86 VanDerWaalsContact CB-NH2 3.33Å; L84-R86 HydrophobicContact CD1-CB 4.21Å; L84-R86 HydrophobicContact CD1-CG 4.36Å; R86-E89 IonicContact CZ-OE2 3.61Å; R86-E89 IonicContact NH1-OE2 3.68Å; R86-E89 PolarHBondContact NH1-OE2 3.43Å; R86-E89 IonicContact NH2-OE2 2.93Å; R86-F95 CarbonylContact O-C 3.51Å; R86-F95 WeakPolarHBondContact O-CA 3.08Å; R86-S96 PolarHBondContact N-O 2.86Å; R86-S96 PolarHBondContact O-N 2.84Å
87	E	86.4	Confident	87.5	Confident	59 Å²	59	45.5 Å²	45.5	28%	0.276	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	144	165.7	-71.7	-178.4	-136	0	0	110.6	G63 K64 E89 F95	G63-E87 PolarHBondContact O-N 3Å; K64-E87 WeakPolarHBondContact CE-OE2 3.48Å; K64-E87 HydrophobicContact CG-CB 4.23Å; K64-E87 HydrophobicContact CG-CG 4.28Å; K64-E87 WeakPolarHBondContact CG-OE1 3.4Å; K64-E87 WeakPolarHBondContact CG-OE2 3.47Å; E87-E89 PolarHBondContact O-N 2.79Å; E87-F95 HydrophobicContact CG-CD1 4.21Å; E87-F95 HydrophobicContact CG-CE1 3.94Å
88	S	81.3	Confident	87.7	Confident	10 Å²	10	44.8 Å²	44.8	7%	0.07	25%	0.249	C	C	.	.			trans	-79.3	120.5	-179.2	-165.9	0	0	0	0	110.8	S90 A91 D94	S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 2.89Å; S88-S90 PolarHBondContact OG-OG 3.42Å; S88-A91 CarbonylContact O-C 3.58Å; S88-A91 PolarHBondContact O-N 2.96Å; S88-D94 WeakPolarHBondContact CB-O 3.27Å; S88-D94 PolarHBondContact N-O 2.72Å
89	E	78.5	Confident	88.1	Confident	113 Å²	113	34.2 Å²	34.2	53%	0.528	21%	0.209	S	C	.	.	S	Bend	trans	-65.3	-32	175.4	-71.3	163.3	116.8	0	0	112.8	P66 R67 R86 E87	P66-E89 WeakPolarHBondContact CA-OE1 3.15Å; P66-E89 WeakPolarHBondContact CB-OE1 3.27Å; R67-E89 VanDerWaalsContact CB-OE2 3.29Å; R67-E89 WeakPolarHBondContact CB-OE2 3.44Å; R67-E89 PolarHBondContact N-OE2 2.94Å; R86-E89 IonicContact CZ-OE2 3.61Å; R86-E89 IonicContact NH1-OE2 3.68Å; R86-E89 PolarHBondContact NH1-OE2 3.43Å; R86-E89 IonicContact NH2-OE2 2.93Å; E87-E89 PolarHBondContact O-N 2.79Å
90	S	75.9	Confident	88.3	Confident	114 Å²	114	33.6 Å²	33.6	80%	0.797	21%	0.205	S	C	*	.	S	Bend	trans	-87.7	-13.7	-177.3	55.2	0	0	0	0	113.7	S88	S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 2.89Å; S88-S90 PolarHBondContact OG-OG 3.42Å
91	A	75.4	Confident	88.3	Confident	19 Å²	19	32.6 Å²	32.6	16%	0.157	20%	0.198	C	C	.	.	S	Bend	trans	-144.7	90.3	-178.8	0	0	0	0	0	110.3	S88 G93 D94	S88-A91 CarbonylContact O-C 3.58Å; S88-A91 PolarHBondContact O-N 2.96Å; A91-G93 PolarHBondContact O-N 2.72Å; A91-D94 HydrophobicContact CB-CB 3.97Å; A91-D94 VanDerWaalsContact CB-OD2 3.31Å; A91-D94 WeakPolarHBondContact CB-OD2 3.11Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 2.93Å
92	P	72.6	Confident	88.2	Confident	125 Å²	125	34 Å²	34	81%	0.812	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128	177.5	-25.8	34.7	0	0	0	111.6
93	G	72.2	Confident	87.9	Confident	63 Å²	63	41.5 Å²	41.5	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-11.8	-175.9	0	0	0	0	0	115.2	A91	A91-G93 PolarHBondContact O-N 2.72Å
94	D	83.8	Confident	87.8	Confident	48 Å²	48	47 Å²	47	26%	0.257	28%	0.283	S	S	.	.			trans	-94.8	159.1	172.9	-70.5	-21.4	0	0	0	111.7	S88 A91 K109	S88-D94 WeakPolarHBondContact CB-O 3.27Å; S88-D94 PolarHBondContact N-O 2.72Å; A91-D94 HydrophobicContact CB-CB 3.97Å; A91-D94 VanDerWaalsContact CB-OD2 3.31Å; A91-D94 WeakPolarHBondContact CB-OD2 3.11Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 2.93Å; D94-K109 WeakPolarHBondContact OD2-CE 3.31Å; D94-K109 IonicContact OD2-NZ 3.27Å; D94-K109 PolarHBondContact OD2-NZ 3.28Å
95	F	90.9	Very high	87.9	Confident	38 Å²	38	48.3 Å²	48.3	17%	0.167	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	154.9	175.3	-59.4	-72	0	0	0	112	F61 I85 R86 E87 V110 Y118 L128	F61-F95 AromaticContact CE2-CD1 3.97Å; F61-F95 HydrophobicContact CE2-CD1 3.97Å; F61-F95 AromaticContact CE2-CE1 3.72Å; F61-F95 HydrophobicContact CE2-CE1 3.72Å; F61-F95 AromaticContact CZ-CE1 3.97Å; F61-F95 HydrophobicContact CZ-CE1 3.97Å; I85-F95 HydrophobicContact CG2-CB 4.03Å; I85-F95 HydrophobicContact CG2-CD1 4.38Å; I85-F95 HydrophobicContact CG2-CG 4.42Å; R86-F95 CarbonylContact O-C 3.51Å; R86-F95 WeakPolarHBondContact O-CA 3.08Å; E87-F95 HydrophobicContact CG-CD1 4.21Å; E87-F95 HydrophobicContact CG-CE1 3.94Å; F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.14Å; F95-V110 PolarHBondContact O-N 3.33Å; F95-Y118 HydrophobicContact CD2-CE1 4.13Å; F95-Y118 HydrophobicContact CE2-CE1 4.11Å; F95-L128 HydrophobicContact CD1-CD1 4.39Å; F95-L128 HydrophobicContact CD2-CD1 3.89Å; F95-L128 HydrophobicContact CD2-CD2 4.22Å; F95-L128 HydrophobicContact CE1-CD1 4.49Å; F95-L128 HydrophobicContact CE2-CD1 4Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.3Å
96	S	94.2	Very high	88	Confident	10 Å²	10	50.6 Å²	50.6	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.7	173.5	-64.2	0	0	0	0	109.8	I85 R86 F108	I85-S96 WeakPolarHBondContact CA-O 3.27Å; R86-S96 PolarHBondContact N-O 2.86Å; R86-S96 PolarHBondContact O-N 2.84Å; S96-F108 CarbonylContact C-O 3.42Å; S96-F108 WeakPolarHBondContact CA-O 3.25Å
97	L	95.6	Very high	88.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.6	170.5	-176.9	153	0	0	0	108.3	F83 I85 V99 H107 F108 V110 L120 L131 V140 L148	F83-L97 HydrophobicContact CD2-CD1 4.41Å; F83-L97 HydrophobicContact CD2-CG 4.44Å; I85-L97 HydrophobicContact CD1-CD1 4.37Å; I85-L97 HydrophobicContact CG1-CB 4.27Å; I85-L97 HydrophobicContact CG1-CD1 4.38Å; I85-L97 HydrophobicContact CG1-CG 4.3Å; L97-V99 HydrophobicContact CD2-CB 3.96Å; L97-V99 HydrophobicContact CD2-CG1 4.04Å; L97-H107 CarbonylContact O-C 3.56Å; L97-H107 WeakPolarHBondContact O-CA 3.29Å; L97-F108 HydrophobicContact CB-CB 4.43Å; L97-F108 HydrophobicContact CD2-CD2 3.89Å; L97-F108 PolarHBondContact N-O 2.74Å; L97-F108 PolarHBondContact O-N 2.95Å; L97-V110 HydrophobicContact CB-CG2 4.19Å; L97-L120 HydrophobicContact CD1-CD1 4.45Å; L97-L131 HydrophobicContact CD1-CD2 4.21Å; L97-V140 HydrophobicContact CD1-CG2 4.5Å; L97-V140 HydrophobicContact CD2-CG2 4.19Å; L97-L148 HydrophobicContact CD1-CD1 3.83Å; L97-L148 HydrophobicContact CD1-CD2 4.15Å; L97-L148 HydrophobicContact CD2-CD2 4.12Å
98	S	96.7	Very high	88.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	176	-48.4	0	0	0	0	108.2	L74 F83 L84 Q106 H107	L74-S98 WeakPolarHBondContact CD1-O 3.33Å; F83-S98 CarbonylContact C-O 3.57Å; F83-S98 WeakPolarHBondContact CA-O 3.19Å; F83-S98 WeakPolarHBondContact CB-O 3.19Å; L84-S98 PolarHBondContact N-O 2.89Å; L84-S98 PolarHBondContact O-N 3.33Å; S98-Q106 CarbonylContact C-O 3.56Å; S98-Q106 WeakPolarHBondContact CA-O 3.3Å; S98-H107 WeakPolarHBondContact CB-ND1 3.34Å; S98-H107 PolarHBondContact OG-CE1 2.84Å; S98-H107 PolarHBondContact OG-ND1 3.3Å
99	V	97	Very high	89.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.2	-175.1	61.1	0	0	0	0	111	A82 F83 L97 V105 Q106 F108 V140 I146 L148	A82-V99 CarbonylContact O-C 3.59Å; A82-V99 WeakPolarHBondContact O-CA 3.24Å; F83-V99 HydrophobicContact CB-CB 4Å; F83-V99 HydrophobicContact CB-CG2 4.06Å; L97-V99 HydrophobicContact CD2-CB 3.96Å; L97-V99 HydrophobicContact CD2-CG1 4.04Å; V99-V105 CarbonylContact O-C 3.54Å; V99-V105 WeakPolarHBondContact O-CA 3.27Å; V99-Q106 HydrophobicContact CG1-CB 4.11Å; V99-Q106 PolarHBondContact N-O 3.18Å; V99-Q106 PolarHBondContact O-N 2.92Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE2 3.55Å; V99-V140 HydrophobicContact CG1-CG1 4.26Å; V99-I146 HydrophobicContact CG1-CG2 4.44Å; V99-I146 HydrophobicContact CG2-CG2 3.77Å; V99-L148 HydrophobicContact CG2-CD2 4.22Å
100	K	95.9	Very high	89.9	Confident	22 Å²	22	49.4 Å²	49.4	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.9	172.8	179.9	-178.4	172.1	68.5	0	110	L74 Q77 G81 A82 G102	L74-K100 HydrophobicContact CB-CB 4.44Å; L74-K100 WeakPolarHBondContact O-CD 3.23Å; Q77-K100 HydrophobicContact CB-CD 3.91Å; Q77-K100 WeakPolarHBondContact O-CD 3.44Å; Q77-K100 WeakPolarHBondContact O-CE 3.3Å; G81-K100 PolarHBondContact N-O 3.35Å; A82-K100 HydrophobicContact CB-CB 4.19Å; A82-K100 PolarHBondContact O-N 2.82Å; K100-G102 WeakPolarHBondContact CE-O 3.35Å; K100-G102 PolarHBondContact NZ-O 3.2Å
101	F	95.1	Very high	90.6	Very high	51 Å²	51	47.1 Å²	47.1	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	116.1	167.4	-174.2	-103.3	0	0	0	110.5	D80 N103 D104 Q144 I146	D80-F101 HydrophobicContact CB-CD2 4.27Å; F101-N103 PolarHBondContact O-N 3.3Å; F101-D104 PolarHBondContact N-O 2.86Å; F101-D104 PolarHBondContact O-N 2.96Å; F101-Q144 VanDerWaalsContact CD1-OE1 3.24Å; F101-Q144 HydrophobicContact CE1-CB 4.2Å; F101-Q144 HydrophobicContact CE1-CG 4.01Å; F101-Q144 HydrophobicContact CZ-CB 4.04Å; F101-Q144 HydrophobicContact CZ-CG 4.21Å; F101-I146 HydrophobicContact CB-CD1 3.84Å; F101-I146 HydrophobicContact CD1-CD1 4.16Å; F101-I146 HydrophobicContact CD2-CB 4.44Å; F101-I146 HydrophobicContact CD2-CD1 3.67Å; F101-I146 HydrophobicContact CD2-CG1 3.49Å; F101-I146 VanDerWaalsContact CD2-CG1 3.49Å; F101-I146 HydrophobicContact CD2-CG2 4.39Å; F101-I146 HydrophobicContact CE2-CD1 4.24Å; F101-I146 HydrophobicContact CE2-CG1 3.74Å; F101-I146 HydrophobicContact CG-CD1 3.6Å; F101-I146 HydrophobicContact CG-CG1 3.98Å; F101-I146 HydrophobicContact CZ-CG1 4.45Å
102	G	91.7	Very high	91.3	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	-126.4	-169.9	0	0	0	0	0	111.2	D80 K100	D80-G102 PolarHBondContact OD1-N 2.75Å; K100-G102 WeakPolarHBondContact CE-O 3.35Å; K100-G102 PolarHBondContact NZ-O 3.2Å
103	N	90.5	Very high	92	Very high	157 Å²	157	47.9 Å²	47.9	84%	0.84	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.2	180	-67.9	-25.4	0	0	0	113.7	F101	F101-N103 PolarHBondContact O-N 3.3Å
104	D	92.8	Very high	92.5	Very high	116 Å²	116	49.5 Å²	49.5	62%	0.62	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	165.1	-172.8	-60.2	-48.4	0	0	0	111.7	F101	F101-D104 PolarHBondContact N-O 2.86Å; F101-D104 PolarHBondContact O-N 2.96Å
105	V	95.8	Very high	92.4	Very high	26 Å²	26	51.1 Å²	51.1	16%	0.158	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.1	171.8	179.7	0	0	0	0	108.5	E71 L74 V99 H107	E71-V105 HydrophobicContact CG-CB 4.13Å; E71-V105 HydrophobicContact CG-CG1 4.3Å; L74-V105 HydrophobicContact CB-CG1 4.38Å; L74-V105 HydrophobicContact CB-CG2 3.75Å; L74-V105 HydrophobicContact CD1-CG1 3.58Å; L74-V105 HydrophobicContact CD1-CG2 4.46Å; V99-V105 CarbonylContact O-C 3.54Å; V99-V105 WeakPolarHBondContact O-CA 3.27Å; V105-H107 PolarHBondContact O-CD2 3.44Å
106	Q	95.6	Very high	91.9	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.5	175.8	-62.9	-173.4	20.5	0	0	109.9	S98 V99 F108	S98-Q106 CarbonylContact C-O 3.56Å; S98-Q106 WeakPolarHBondContact CA-O 3.3Å; V99-Q106 HydrophobicContact CG1-CB 4.11Å; V99-Q106 PolarHBondContact N-O 3.18Å; V99-Q106 PolarHBondContact O-N 2.92Å; Q106-F108 HydrophobicContact CB-CE2 3.79Å; Q106-F108 HydrophobicContact CB-CZ 4.14Å
107	H	95.1	Very high	91.5	Very high	42 Å²	42	52.9 Å²	52.9	19%	0.194	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.2	-178.6	-56.4	-98.1	0	0	0	110.4	R67 E71 L97 S98 V105	R67-H107 PolarHBondContact NH1-CD2 2.81Å; R67-H107 VanDerWaalsContact NH1-CG 3.32Å; R67-H107 PolarHBondContact NH2-CD2 3.29Å; R67-H107 PolarHBondContact NH2-NE2 2.82Å; E71-H107 IonicContact OE1-CE1 3.79Å; E71-H107 IonicContact OE1-NE2 3.1Å; E71-H107 PolarHBondContact OE1-NE2 3.47Å; L97-H107 CarbonylContact O-C 3.56Å; L97-H107 WeakPolarHBondContact O-CA 3.29Å; S98-H107 WeakPolarHBondContact CB-ND1 3.34Å; S98-H107 PolarHBondContact OG-CE1 2.84Å; S98-H107 PolarHBondContact OG-ND1 3.3Å; V105-H107 PolarHBondContact O-CD2 3.44Å
108	F	94.3	Very high	91.3	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.105	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.4	179.2	-58.7	-87	0	0	0	108.8	S96 L97 V99 Q106 V110 L120 W121 V140	S96-F108 CarbonylContact C-O 3.42Å; S96-F108 WeakPolarHBondContact CA-O 3.25Å; L97-F108 HydrophobicContact CB-CB 4.43Å; L97-F108 HydrophobicContact CD2-CD2 3.89Å; L97-F108 PolarHBondContact N-O 2.74Å; L97-F108 PolarHBondContact O-N 2.95Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE2 3.55Å; Q106-F108 HydrophobicContact CB-CE2 3.79Å; Q106-F108 HydrophobicContact CB-CZ 4.14Å; F108-V110 PolarHBondContact O-N 2.9Å; F108-L120 HydrophobicContact CB-CD1 4.45Å; F108-L120 HydrophobicContact CB-CD2 3.99Å; F108-W121 HydrophobicContact CD1-CH2 4.37Å; F108-W121 AromaticContact CD1-CZ2 3.76Å; F108-W121 HydrophobicContact CD1-CZ2 3.76Å; F108-W121 HydrophobicContact CE1-CH2 4.47Å; F108-W121 AromaticContact CE1-CZ2 3.78Å; F108-W121 HydrophobicContact CE1-CZ2 3.78Å; F108-V140 HydrophobicContact CD2-CG2 4.16Å; F108-V140 HydrophobicContact CE2-CG1 4.09Å; F108-V140 HydrophobicContact CE2-CG2 4.33Å; F108-V140 HydrophobicContact CG-CG2 4.43Å; F108-V140 HydrophobicContact CZ-CG1 4.42Å
109	K	92.8	Very high	91.2	Very high	98 Å²	98	55.7 Å²	55.7	43%	0.426	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.2	172.5	-171.1	171.9	-179.2	175.1	0	108.5	D94 L111	D94-K109 WeakPolarHBondContact OD2-CE 3.31Å; D94-K109 IonicContact OD2-NZ 3.27Å; D94-K109 PolarHBondContact OD2-NZ 3.28Å; K109-L111 HydrophobicContact CD-CD2 3.82Å; K109-L111 HydrophobicContact CG-CD2 3.9Å; K109-L111 PolarHBondContact O-N 2.8Å
110	V	93.4	Very high	91	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.2	170.8	-173.1	0	0	0	0	107.3	F95 L97 F108 Y118 L120 L128 L131	F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.14Å; F95-V110 PolarHBondContact O-N 3.33Å; L97-V110 HydrophobicContact CB-CG2 4.19Å; F108-V110 PolarHBondContact O-N 2.9Å; V110-Y118 HydrophobicContact CG1-CD1 4.06Å; V110-L120 HydrophobicContact CB-CD2 4.29Å; V110-L120 HydrophobicContact CG2-CD2 3.83Å; V110-L128 HydrophobicContact CG1-CD2 3.76Å; V110-L131 HydrophobicContact CG1-CD1 3.85Å
111	L	91.4	Very high	90.9	Very high	66 Å²	66	60 Å²	60	35%	0.346	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	154.2	-179.8	-59.4	175.9	0	0	0	110	K109 Y118 F119	K109-L111 HydrophobicContact CD-CD2 3.82Å; K109-L111 HydrophobicContact CG-CD2 3.9Å; K109-L111 PolarHBondContact O-N 2.8Å; L111-Y118 CarbonylContact O-C 3.6Å; L111-Y118 VanDerWaalsContact O-CA 3.29Å; L111-Y118 WeakPolarHBondContact O-CA 3.46Å; L111-F119 HydrophobicContact CB-CD1 4.21Å; L111-F119 HydrophobicContact CB-CD2 4.03Å; L111-F119 HydrophobicContact CB-CE1 3.8Å; L111-F119 HydrophobicContact CB-CE2 3.64Å; L111-F119 HydrophobicContact CB-CG 4.32Å; L111-F119 HydrophobicContact CB-CZ 3.5Å; L111-F119 VanDerWaalsContact CB-CZ 3.5Å; L111-F119 HydrophobicContact CD1-CD2 4.27Å; L111-F119 HydrophobicContact CD1-CE2 3.58Å; L111-F119 HydrophobicContact CD1-CZ 4.03Å; L111-F119 HydrophobicContact CG-CE2 4.23Å; L111-F119 HydrophobicContact CG-CZ 4.43Å; L111-F119 PolarHBondContact N-O 2.92Å; L111-F119 PolarHBondContact O-N 3.01Å
112	R	89.1	Confident	90.6	Very high	128 Å²	128	63.2 Å²	63.2	48%	0.483	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.7	174.2	-164	177.4	-175.4	-154.6	-10	109.1	G116 K117 Y118	R112-G116 PolarHBondContact NE-O 3.11Å; R112-K117 CarbonylContact C-O 3.47Å; R112-K117 VanDerWaalsContact CA-O 3.27Å; R112-K117 WeakPolarHBondContact CA-O 3.46Å; R112-Y118 HydrophobicContact CG-CE1 4.41Å
113	D	88.1	Confident	90.7	Very high	33 Å²	33	64.8 Å²	64.8	18%	0.176	36%	0.357	C	S	.	.			trans	-85.1	174.5	175.3	74.4	5.2	0	0	0	111.7	A115 G116 K117 F119 K124	D113-A115 PolarHBondContact O-N 3.42Å; D113-A115 WeakPolarHBondContact OD1-CA 3.04Å; D113-A115 PolarHBondContact OD1-N 2.9Å; D113-G116 WeakPolarHBondContact O-CA 3.21Å; D113-G116 PolarHBondContact O-N 3.39Å; D113-G116 PolarHBondContact OD1-N 2.93Å; D113-K117 PolarHBondContact N-O 2.98Å; D113-K117 WeakPolarHBondContact OD1-CB 2.94Å; D113-K117 PolarHBondContact OD1-N 2.8Å; D113-F119 HydrophobicContact CB-CE1 3.92Å; D113-K124 WeakPolarHBondContact OD2-CD 3.44Å; D113-K124 WeakPolarHBondContact OD2-CE 3.28Å; D113-K124 IonicContact OD2-NZ 3.3Å; D113-K124 PolarHBondContact OD2-NZ 2.99Å
114	G	81.8	Confident	90.8	Very high	96 Å²	96	62.4 Å²	62.4	99%	0.99	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.2	179.8	0	0	0	0	0	114.5	G116	G114-G116 VanDerWaalsContact C-N 3.31Å
115	A	81.5	Confident	90.7	Very high	82 Å²	82	57.5 Å²	57.5	68%	0.678	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	2.6	173.1	0	0	0	0	0	112.3	D113	D113-A115 PolarHBondContact O-N 3.42Å; D113-A115 WeakPolarHBondContact OD1-CA 3.04Å; D113-A115 PolarHBondContact OD1-N 2.9Å
116	G	80.8	Confident	90	Very high	9 Å²	9	60.1 Å²	60.1	9%	0.093	33%	0.325	C	S	.	.			trans	84.3	10.3	175.7	0	0	0	0	0	115.5	R112 D113 G114	R112-G116 PolarHBondContact NE-O 3.11Å; D113-G116 WeakPolarHBondContact O-CA 3.21Å; D113-G116 PolarHBondContact O-N 3.39Å; D113-G116 PolarHBondContact OD1-N 2.93Å; G114-G116 VanDerWaalsContact C-N 3.31Å
117	K	86.6	Confident	89.4	Confident	76 Å²	76	58.2 Å²	58.2	33%	0.33	32%	0.317	S	S	.	.			trans	-82.8	142	179.4	-60.8	-172.3	179.6	-105.9	0	111.8	R112 D113 K124 F125 N126	R112-K117 CarbonylContact C-O 3.47Å; R112-K117 VanDerWaalsContact CA-O 3.27Å; R112-K117 WeakPolarHBondContact CA-O 3.46Å; D113-K117 PolarHBondContact N-O 2.98Å; D113-K117 WeakPolarHBondContact OD1-CB 2.94Å; D113-K117 PolarHBondContact OD1-N 2.8Å; K117-K124 HydrophobicContact CB-CB 4.17Å; K117-K124 HydrophobicContact CD-CB 4.22Å; K117-F125 CarbonylContact C-O 3.55Å; K117-F125 VanDerWaalsContact CA-O 3.23Å; K117-F125 WeakPolarHBondContact CA-O 3.34Å; K117-F125 WeakPolarHBondContact CB-O 3.37Å; K117-N126 PolarHBondContact NZ-OD1 2.81Å
118	Y	90.8	Very high	89	Confident	22 Å²	22	57.1 Å²	57.1	9%	0.086	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.8	-178.9	-58.1	-81.6	0	0	0	112.1	K26 F95 V110 L111 R112 K124 F125 L128	K26-Y118 WeakPolarHBondContact CE-OH 3.24Å; F95-Y118 HydrophobicContact CD2-CE1 4.13Å; F95-Y118 HydrophobicContact CE2-CE1 4.11Å; V110-Y118 HydrophobicContact CG1-CD1 4.06Å; L111-Y118 CarbonylContact O-C 3.6Å; L111-Y118 VanDerWaalsContact O-CA 3.29Å; L111-Y118 WeakPolarHBondContact O-CA 3.46Å; R112-Y118 HydrophobicContact CG-CE1 4.41Å; Y118-K124 CarbonylContact O-C 3.54Å; Y118-K124 WeakPolarHBondContact O-CA 3.45Å; Y118-F125 PolarHBondContact N-O 2.82Å; Y118-F125 WeakPolarHBondContact O-CD2 3.49Å; Y118-F125 PolarHBondContact O-N 2.82Å; Y118-L128 HydrophobicContact CD1-CD2 3.86Å; Y118-L128 HydrophobicContact CD1-CG 4.41Å; Y118-L128 HydrophobicContact CE1-CD2 4.27Å; Y118-L128 HydrophobicContact CE1-CG 4.44Å; Y118-L128 HydrophobicContact CG-CD2 4.09Å
119	F	94.2	Very high	88.6	Confident	38 Å²	38	57 Å²	57	17%	0.167	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	154.1	174.6	60	-79.5	0	0	0	112	L111 D113 W121 V123 K124	L111-F119 HydrophobicContact CB-CD1 4.21Å; L111-F119 HydrophobicContact CB-CD2 4.03Å; L111-F119 HydrophobicContact CB-CE1 3.8Å; L111-F119 HydrophobicContact CB-CE2 3.64Å; L111-F119 HydrophobicContact CB-CG 4.32Å; L111-F119 HydrophobicContact CB-CZ 3.5Å; L111-F119 VanDerWaalsContact CB-CZ 3.5Å; L111-F119 HydrophobicContact CD1-CD2 4.27Å; L111-F119 HydrophobicContact CD1-CE2 3.58Å; L111-F119 HydrophobicContact CD1-CZ 4.03Å; L111-F119 HydrophobicContact CG-CE2 4.23Å; L111-F119 HydrophobicContact CG-CZ 4.43Å; L111-F119 PolarHBondContact N-O 2.92Å; L111-F119 PolarHBondContact O-N 3.01Å; D113-F119 HydrophobicContact CB-CE1 3.92Å; F119-W121 VanDerWaalsContact CD2-O 3.25Å; F119-W121 WeakPolarHBondContact CD2-O 3.42Å; F119-V123 WeakPolarHBondContact CB-O 3.44Å; F119-K124 HydrophobicContact CB-CG 4.14Å; F119-K124 HydrophobicContact CD1-CG 4.22Å; F119-K124 HydrophobicContact CG-CG 4.31Å
120	L	93.4	Very high	88.4	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.052	31%	0.312	C	S	.	.	S	Bend	trans	-98.1	-33.7	165.6	-59.1	-179.4	0	0	0	111.6	L97 F108 V110 L131 V140	L97-L120 HydrophobicContact CD1-CD1 4.45Å; F108-L120 HydrophobicContact CB-CD1 4.45Å; F108-L120 HydrophobicContact CB-CD2 3.99Å; V110-L120 HydrophobicContact CB-CD2 4.29Å; V110-L120 HydrophobicContact CG2-CD2 3.83Å; L120-L131 HydrophobicContact CD1-CD2 4.36Å; L120-L131 HydrophobicContact CD2-CD1 4.5Å; L120-L131 HydrophobicContact CG-CD1 4.22Å; L120-L131 HydrophobicContact CG-CD2 4.43Å; L120-V140 HydrophobicContact CD1-CG2 3.26Å
121	W	92.9	Very high	88.4	Confident	101 Å²	101	56.2 Å²	56.2	38%	0.383	31%	0.311	S	S	.	.	S	Bend	trans	-138.1	-112.5	-170.6	-55.4	119.4	0	0	0	111.4	F108 F119 V140 R142	F108-W121 HydrophobicContact CD1-CH2 4.37Å; F108-W121 AromaticContact CD1-CZ2 3.76Å; F108-W121 HydrophobicContact CD1-CZ2 3.76Å; F108-W121 HydrophobicContact CE1-CH2 4.47Å; F108-W121 AromaticContact CE1-CZ2 3.78Å; F108-W121 HydrophobicContact CE1-CZ2 3.78Å; F119-W121 VanDerWaalsContact CD2-O 3.25Å; F119-W121 WeakPolarHBondContact CD2-O 3.42Å; W121-V140 PolarHBondContact NE1-O 3.08Å; W121-R142 HydrophobicContact CD2-CG 4.42Å
122	V	90.3	Very high	88.4	Confident	120 Å²	120	53.1 Å²	53.1	73%	0.727	30%	0.295	S	S	*	.	S	Bend	trans	-94.8	-38.9	-174.2	-175.5	0	0	0	0	111.5
123	V	92.9	Very high	88.5	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.388	30%	0.295	S	S	.	.			trans	-80.3	136.1	-177.3	-171.4	0	0	0	0	110	F119 F125	F119-V123 WeakPolarHBondContact CB-O 3.44Å; V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CB-CZ 3.9Å; V123-F125 HydrophobicContact CG1-CE1 3.75Å; V123-F125 HydrophobicContact CG1-CE2 4.17Å; V123-F125 HydrophobicContact CG1-CZ 3.49Å; V123-F125 VanDerWaalsContact CG1-CZ 3.49Å; V123-F125 WeakPolarHBondContact O-CE2 3.45Å
124	K	93.6	Very high	88.8	Confident	108 Å²	108	53.8 Å²	53.8	47%	0.47	30%	0.302	S	S	.	.			trans	-115.9	143.9	-176.2	-61.8	179.5	174.6	-170.9	0	111.4	D113 K117 Y118 F119	D113-K124 WeakPolarHBondContact OD2-CD 3.44Å; D113-K124 WeakPolarHBondContact OD2-CE 3.28Å; D113-K124 IonicContact OD2-NZ 3.3Å; D113-K124 PolarHBondContact OD2-NZ 2.99Å; K117-K124 HydrophobicContact CB-CB 4.17Å; K117-K124 HydrophobicContact CD-CB 4.22Å; Y118-K124 CarbonylContact O-C 3.54Å; Y118-K124 WeakPolarHBondContact O-CA 3.45Å; F119-K124 HydrophobicContact CB-CG 4.14Å; F119-K124 HydrophobicContact CD1-CG 4.22Å; F119-K124 HydrophobicContact CG-CG 4.31Å
125	F	89.6	Confident	89.5	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.057	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-129.4	149.8	-172	-53.8	-76.2	0	0	0	110.9	K117 Y118 V123 S127 E130 L131 Y134	K117-F125 CarbonylContact C-O 3.55Å; K117-F125 VanDerWaalsContact CA-O 3.23Å; K117-F125 WeakPolarHBondContact CA-O 3.34Å; K117-F125 WeakPolarHBondContact CB-O 3.37Å; Y118-F125 PolarHBondContact N-O 2.82Å; Y118-F125 WeakPolarHBondContact O-CD2 3.49Å; Y118-F125 PolarHBondContact O-N 2.82Å; V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CB-CZ 3.9Å; V123-F125 HydrophobicContact CG1-CE1 3.75Å; V123-F125 HydrophobicContact CG1-CE2 4.17Å; V123-F125 HydrophobicContact CG1-CZ 3.49Å; V123-F125 VanDerWaalsContact CG1-CZ 3.49Å; V123-F125 WeakPolarHBondContact O-CE2 3.45Å; F125-S127 VanDerWaalsContact C-N 3.32Å; F125-S127 WeakPolarHBondContact CB-O 3.5Å; F125-E130 HydrophobicContact CB-CB 3.93Å; F125-E130 HydrophobicContact CD1-CB 4.03Å; F125-E130 HydrophobicContact CG-CB 4.35Å; F125-L131 HydrophobicContact CB-CB 4.09Å; F125-L131 HydrophobicContact CD2-CB 3.52Å; F125-L131 HydrophobicContact CD2-CD1 3.98Å; F125-L131 HydrophobicContact CD2-CG 3.75Å; F125-L131 HydrophobicContact CE2-CB 4.1Å; F125-L131 HydrophobicContact CE2-CD1 4.46Å; F125-L131 HydrophobicContact CE2-CG 3.99Å; F125-L131 HydrophobicContact CG-CB 3.82Å; F125-Y134 HydrophobicContact CE1-CD1 4.01Å; F125-Y134 HydrophobicContact CE1-CD2 4.04Å; F125-Y134 AromaticContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE2-CD1 4.41Å; F125-Y134 AromaticContact CZ-CD1 3.42Å; F125-Y134 HydrophobicContact CZ-CD1 3.42Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.42Å; F125-Y134 HydrophobicContact CZ-CD2 4.22Å; F125-Y134 HydrophobicContact CZ-CE1 4Å; F125-Y134 AromaticContact CZ-CG 3.52Å; F125-Y134 HydrophobicContact CZ-CG 3.52Å
126	N	82.4	Confident	90.2	Very high	80 Å²	80	49.5 Å²	49.5	43%	0.428	24%	0.239	S	C	.	.	S	Bend	trans	-79.1	-22.7	179	-53.2	-58.7	0	0	0	112	K117 E130	K117-N126 PolarHBondContact NZ-OD1 2.81Å; N126-E130 PolarHBondContact N-OE2 3.05Å; N126-E130 PolarHBondContact ND2-OE1 3.48Å; N126-E130 VanDerWaalsContact ND2-OE1 3.15Å; N126-E130 PolarHBondContact ND2-OE2 3.39Å
127	S	83.1	Confident	90.8	Very high	10 Å²	10	53.3 Å²	53.3	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-141.5	165.5	178	75.7	0	0	0	0	112.9	E2 F125 N129 E130 L131	E2-S127 WeakPolarHBondContact OE1-CB 3.33Å; E2-S127 PolarHBondContact OE1-OG 3.05Å; F125-S127 VanDerWaalsContact C-N 3.32Å; F125-S127 WeakPolarHBondContact CB-O 3.5Å; S127-N129 PolarHBondContact O-N 3.28Å; S127-N129 PolarHBondContact OG-N 2.76Å; S127-E130 PolarHBondContact OG-N 2.98Å; S127-L131 PolarHBondContact O-N 2.7Å
128	L	86.2	Confident	91.2	Very high	19 Å²	19	52 Å²	52	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-28.4	171.1	-67.4	175.2	0	0	0	111.4	W60 I85 F95 V110 Y118 L131 V132	W60-L128 HydrophobicContact CH2-CB 3.95Å; W60-L128 HydrophobicContact CZ3-CB 4.18Å; I85-L128 HydrophobicContact CD1-CB 4.45Å; I85-L128 HydrophobicContact CD1-CD2 4.36Å; I85-L128 HydrophobicContact CG2-CD1 4.25Å; F95-L128 HydrophobicContact CD1-CD1 4.39Å; F95-L128 HydrophobicContact CD2-CD1 3.89Å; F95-L128 HydrophobicContact CD2-CD2 4.22Å; F95-L128 HydrophobicContact CE1-CD1 4.49Å; F95-L128 HydrophobicContact CE2-CD1 4Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.3Å; V110-L128 HydrophobicContact CG1-CD2 3.76Å; Y118-L128 HydrophobicContact CD1-CD2 3.86Å; Y118-L128 HydrophobicContact CD1-CG 4.41Å; Y118-L128 HydrophobicContact CE1-CD2 4.27Å; Y118-L128 HydrophobicContact CE1-CG 4.44Å; Y118-L128 HydrophobicContact CG-CD2 4.09Å; L128-L131 WeakPolarHBondContact O-CB 3.33Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-V132 WeakPolarHBondContact O-CB 3.37Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.36Å
129	N	85.6	Confident	91.5	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-49.2	-179.2	-62.9	48	0	0	0	111.2	E2 H58 W60 S127 L131 V132 D133	E2-N129 WeakPolarHBondContact OE1-CB 3.21Å; E2-N129 PolarHBondContact OE1-OD1 2.88Å; E2-N129 PolarHBondContact OE2-ND2 3.41Å; H58-N129 PolarHBondContact CE1-ND2 3.08Å; H58-N129 PolarHBondContact NE2-ND2 3.15Å; W60-N129 WeakPolarHBondContact CH2-OD1 3.43Å; W60-N129 HydrophobicContact CZ2-CB 4.45Å; S127-N129 PolarHBondContact O-N 3.28Å; S127-N129 PolarHBondContact OG-N 2.76Å; N129-L131 PolarHBondContact O-N 2.88Å; N129-V132 PolarHBondContact O-N 2.92Å; N129-V132 VanDerWaalsContact O-N 3.09Å; N129-D133 WeakPolarHBondContact O-CB 3.23Å; N129-D133 PolarHBondContact O-N 2.9Å
130	E	88.1	Confident	91.5	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-56.1	-41.3	173	-75.1	-178.1	-173.1	0	0	111.2	F125 N126 S127 Y134	F125-E130 HydrophobicContact CB-CB 3.93Å; F125-E130 HydrophobicContact CD1-CB 4.03Å; F125-E130 HydrophobicContact CG-CB 4.35Å; N126-E130 PolarHBondContact N-OE2 3.05Å; N126-E130 PolarHBondContact ND2-OE1 3.48Å; N126-E130 VanDerWaalsContact ND2-OE1 3.15Å; N126-E130 PolarHBondContact ND2-OE2 3.39Å; S127-E130 PolarHBondContact OG-N 2.98Å; E130-Y134 VanDerWaalsContact O-CB 3.23Å; E130-Y134 WeakPolarHBondContact O-CB 3.42Å; E130-Y134 PolarHBondContact O-N 3.31Å
131	L	93.4	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-47.6	175.2	-178.4	158.6	0	0	0	111.5	L97 V110 L120 F125 S127 L128 N129 H135	L97-L131 HydrophobicContact CD1-CD2 4.21Å; V110-L131 HydrophobicContact CG1-CD1 3.85Å; L120-L131 HydrophobicContact CD1-CD2 4.36Å; L120-L131 HydrophobicContact CD2-CD1 4.5Å; L120-L131 HydrophobicContact CG-CD1 4.22Å; L120-L131 HydrophobicContact CG-CD2 4.43Å; F125-L131 HydrophobicContact CB-CB 4.09Å; F125-L131 HydrophobicContact CD2-CB 3.52Å; F125-L131 HydrophobicContact CD2-CD1 3.98Å; F125-L131 HydrophobicContact CD2-CG 3.75Å; F125-L131 HydrophobicContact CE2-CB 4.1Å; F125-L131 HydrophobicContact CE2-CD1 4.46Å; F125-L131 HydrophobicContact CE2-CG 3.99Å; F125-L131 HydrophobicContact CG-CB 3.82Å; S127-L131 PolarHBondContact O-N 2.7Å; L128-L131 WeakPolarHBondContact O-CB 3.33Å; L128-L131 PolarHBondContact O-N 3.4Å; N129-L131 PolarHBondContact O-N 2.88Å; L131-H135 PolarHBondContact O-CD2 2.78Å; L131-H135 PolarHBondContact O-N 2.75Å; L131-H135 VanDerWaalsContact O-N 3.12Å
132	V	92.9	Very high	91.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-51.6	179.6	164.6	0	0	0	0	110.5	W60 F83 I85 L128 N129 Y134 H135 R136 L148	W60-V132 HydrophobicContact CD2-CG2 4.13Å; W60-V132 HydrophobicContact CE3-CG2 4.12Å; W60-V132 HydrophobicContact CH2-CG2 4.19Å; W60-V132 HydrophobicContact CZ2-CB 4.49Å; W60-V132 HydrophobicContact CZ2-CG2 4.18Å; W60-V132 HydrophobicContact CZ3-CG2 4.16Å; F83-V132 HydrophobicContact CE1-CG1 4.38Å; F83-V132 HydrophobicContact CE2-CG1 3.96Å; F83-V132 HydrophobicContact CE2-CG2 3.75Å; F83-V132 HydrophobicContact CZ-CB 4.46Å; F83-V132 HydrophobicContact CZ-CG1 3.45Å; F83-V132 VanDerWaalsContact CZ-CG1 3.45Å; F83-V132 HydrophobicContact CZ-CG2 4.13Å; I85-V132 HydrophobicContact CD1-CG2 3.69Å; L128-V132 WeakPolarHBondContact O-CB 3.37Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.36Å; N129-V132 PolarHBondContact O-N 2.92Å; N129-V132 VanDerWaalsContact O-N 3.09Å; V132-Y134 VanDerWaalsContact C-N 3.33Å; V132-Y134 PolarHBondContact O-N 3.04Å; V132-H135 CarbonylContact O-C 3.55Å; V132-H135 WeakPolarHBondContact O-CA 3.4Å; V132-H135 PolarHBondContact O-N 3.43Å; V132-R136 WeakPolarHBondContact O-CG 3.38Å; V132-R136 PolarHBondContact O-N 3.38Å; V132-L148 HydrophobicContact CB-CD1 4.48Å; V132-L148 HydrophobicContact CG1-CD1 4.42Å; V132-L148 HydrophobicContact CG2-CD1 4.4Å
133	D	91.1	Very high	91.1	Very high	93 Å²	93	55.5 Å²	55.5	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-38.9	-176.5	-71	-22.4	0	0	0	111.9	N129 H135 R136	N129-D133 WeakPolarHBondContact O-CB 3.23Å; N129-D133 PolarHBondContact O-N 2.9Å; D133-H135 VanDerWaalsContact C-N 3.31Å; D133-H135 PolarHBondContact O-N 3.15Å; D133-R136 WeakPolarHBondContact O-CB 3.47Å; D133-R136 PolarHBondContact O-N 2.75Å; D133-R136 IonicContact OD1-NE 2.86Å; D133-R136 PolarHBondContact OD1-NE 2.79Å
134	Y	94.4	Very high	91	Very high	83 Å²	83	56.4 Å²	56.4	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-57.6	-45.7	170.6	178.3	-97.8	0	0	0	111.7	F125 E130 V132 R136 S137 T138	F125-Y134 HydrophobicContact CE1-CD1 4.01Å; F125-Y134 HydrophobicContact CE1-CD2 4.04Å; F125-Y134 AromaticContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE1-CG 3.59Å; F125-Y134 HydrophobicContact CE2-CD1 4.41Å; F125-Y134 AromaticContact CZ-CD1 3.42Å; F125-Y134 HydrophobicContact CZ-CD1 3.42Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.42Å; F125-Y134 HydrophobicContact CZ-CD2 4.22Å; F125-Y134 HydrophobicContact CZ-CE1 4Å; F125-Y134 AromaticContact CZ-CG 3.52Å; F125-Y134 HydrophobicContact CZ-CG 3.52Å; E130-Y134 VanDerWaalsContact O-CB 3.23Å; E130-Y134 WeakPolarHBondContact O-CB 3.42Å; E130-Y134 PolarHBondContact O-N 3.31Å; V132-Y134 VanDerWaalsContact C-N 3.33Å; V132-Y134 PolarHBondContact O-N 3.04Å; Y134-R136 VanDerWaalsContact C-N 3.26Å; Y134-R136 PolarHBondContact O-N 2.76Å; Y134-S137 PolarHBondContact O-N 3.27Å; Y134-S137 PolarHBondContact O-OG 2.86Å; Y134-T138 HydrophobicContact CD1-CG2 4.47Å; Y134-T138 HydrophobicContact CE1-CG2 3.6Å; Y134-T138 WeakPolarHBondContact O-CB 3.43Å; Y134-T138 PolarHBondContact O-N 3.39Å; Y134-T138 PolarHBondContact O-OG1 3.12Å
135	H	96.3	Very high	91	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-79.5	-2	-177.5	-75.3	-60.4	0	0	0	115	L131 V132 D133 S137 T138 S139 L148	L131-H135 PolarHBondContact O-CD2 2.78Å; L131-H135 PolarHBondContact O-N 2.75Å; L131-H135 VanDerWaalsContact O-N 3.12Å; V132-H135 CarbonylContact O-C 3.55Å; V132-H135 WeakPolarHBondContact O-CA 3.4Å; V132-H135 PolarHBondContact O-N 3.43Å; D133-H135 VanDerWaalsContact C-N 3.31Å; D133-H135 PolarHBondContact O-N 3.15Å; H135-S137 VanDerWaalsContact C-N 3.29Å; H135-T138 CarbonylContact C-O 3.43Å; H135-T138 WeakPolarHBondContact CA-O 3.49Å; H135-T138 PolarHBondContact ND1-O 3.05Å; H135-T138 VanDerWaalsContact O-O 3.14Å; H135-S139 PolarHBondContact ND1-O 3.44Å; H135-L148 HydrophobicContact CB-CD1 3.47Å; H135-L148 VanDerWaalsContact CB-CD1 3.47Å; H135-L148 HydrophobicContact CB-CG 3.7Å; H135-L148 PolarHBondContact O-N 3.42Å
136	R	94.9	Very high	91.2	Very high	79 Å²	79	57.9 Å²	57.9	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-27	165.4	-66.8	179.6	-175.5	-81.4	-3.8	112.5	V132 D133 Y134 L148 D150	V132-R136 WeakPolarHBondContact O-CG 3.38Å; V132-R136 PolarHBondContact O-N 3.38Å; D133-R136 WeakPolarHBondContact O-CB 3.47Å; D133-R136 PolarHBondContact O-N 2.75Å; D133-R136 IonicContact OD1-NE 2.86Å; D133-R136 PolarHBondContact OD1-NE 2.79Å; Y134-R136 VanDerWaalsContact C-N 3.26Å; Y134-R136 PolarHBondContact O-N 2.76Å; R136-L148 HydrophobicContact CG-CB 4.38Å; R136-D150 IonicContact CZ-OD1 2.78Å; R136-D150 IonicContact CZ-OD2 2.82Å; R136-D150 IonicContact NH1-OD1 2.87Å; R136-D150 PolarHBondContact NH1-OD1 2.8Å; R136-D150 IonicContact NH1-OD2 3.8Å; R136-D150 PolarHBondContact NH1-OD2 3.19Å; R136-D150 VanDerWaalsContact NH2-CG 3.34Å; R136-D150 IonicContact NH2-OD1 2.75Å; R136-D150 PolarHBondContact NH2-OD1 3.25Å; R136-D150 IonicContact NH2-OD2 2.7Å; R136-D150 PolarHBondContact NH2-OD2 3.01Å; R136-D150 VanDerWaalsContact NH2-OD2 3.15Å
137	S	94.3	Very high	91.9	Very high	90 Å²	90	57 Å²	57	63%	0.629	28%	0.281	S	S	*	.	H	α-helix	trans	-116.7	-14	179.1	60.7	0	0	0	0	113.7	Y134 H135 F147	Y134-S137 PolarHBondContact O-N 3.27Å; Y134-S137 PolarHBondContact O-OG 2.86Å; H135-S137 VanDerWaalsContact C-N 3.29Å; S137-F147 VanDerWaalsContact O-CE1 3.25Å; S137-F147 WeakPolarHBondContact O-CE1 3.48Å
138	T	95.1	Very high	92.5	Very high	49 Å²	49	56.7 Å²	56.7	30%	0.301	28%	0.278	S	S	.	.	S	Bend	trans	-119	133.9	177.4	-53.1	0	0	0	0	111.4	Y134 H135 V140	Y134-T138 HydrophobicContact CD1-CG2 4.47Å; Y134-T138 HydrophobicContact CE1-CG2 3.6Å; Y134-T138 WeakPolarHBondContact O-CB 3.43Å; Y134-T138 PolarHBondContact O-N 3.39Å; Y134-T138 PolarHBondContact O-OG1 3.12Å; H135-T138 CarbonylContact C-O 3.43Å; H135-T138 WeakPolarHBondContact CA-O 3.49Å; H135-T138 PolarHBondContact ND1-O 3.05Å; H135-T138 VanDerWaalsContact O-O 3.14Å; T138-V140 PolarHBondContact O-N 3.41Å
139	S	95.8	Very high	92.9	Very high	31 Å²	31	62.4 Å²	62.4	22%	0.217	30%	0.299	C	S	.	.			trans	-56.5	135.8	-176.7	-170.6	0	0	0	0	112.8	H135 S141 Q144 I146	H135-S139 PolarHBondContact ND1-O 3.44Å; S139-S141 VanDerWaalsContact C-N 3.34Å; S139-S141 PolarHBondContact OG-N 3.03Å; S139-S141 PolarHBondContact OG-O 2.9Å; S139-Q144 PolarHBondContact OG-O 3.43Å; S139-I146 CarbonylContact C-O 3.41Å; S139-I146 VanDerWaalsContact CA-O 3.29Å; S139-I146 WeakPolarHBondContact CA-O 3.25Å; S139-I146 PolarHBondContact OG-N 3.05Å
140	V	94.3	Very high	93.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-77.5	-22	173.2	72.6	0	0	0	0	112.2	L97 V99 F108 L120 W121 T138 I146 L148	L97-V140 HydrophobicContact CD1-CG2 4.5Å; L97-V140 HydrophobicContact CD2-CG2 4.19Å; V99-V140 HydrophobicContact CG1-CG1 4.26Å; F108-V140 HydrophobicContact CD2-CG2 4.16Å; F108-V140 HydrophobicContact CE2-CG1 4.09Å; F108-V140 HydrophobicContact CE2-CG2 4.33Å; F108-V140 HydrophobicContact CG-CG2 4.43Å; F108-V140 HydrophobicContact CZ-CG1 4.42Å; L120-V140 HydrophobicContact CD1-CG2 3.26Å; W121-V140 PolarHBondContact NE1-O 3.08Å; T138-V140 PolarHBondContact O-N 3.41Å; V140-I146 HydrophobicContact CG1-CB 3.79Å; V140-I146 HydrophobicContact CG1-CG2 3.76Å; V140-I146 PolarHBondContact N-O 2.95Å; V140-L148 HydrophobicContact CB-CD2 4.4Å; V140-L148 HydrophobicContact CG1-CD2 4.34Å
141	S	92.2	Very high	93.1	Very high	15 Å²	15	61.1 Å²	61.1	11%	0.105	29%	0.294	C	S	.	.			trans	-106	146.3	178.5	178	0	0	0	0	111.8	S139 N143 Q144	S139-S141 VanDerWaalsContact C-N 3.34Å; S139-S141 PolarHBondContact OG-N 3.03Å; S139-S141 PolarHBondContact OG-O 2.9Å; S141-N143 PolarHBondContact OG-N 3.28Å; S141-Q144 WeakPolarHBondContact CB-O 3.18Å; S141-Q144 PolarHBondContact OG-N 3.33Å
142	R	89.1	Confident	92.5	Very high	164 Å²	164	65.9 Å²	65.9	62%	0.619	32%	0.317	S	S	*	.	S	Bend	trans	-81.8	-21.8	174.6	-65.7	-175	-178.2	-169.7	0.6	113.4	W121	W121-R142 HydrophobicContact CD2-CG 4.42Å
143	N	88.7	Confident	91.1	Very high	154 Å²	154	72.9 Å²	72.9	82%	0.824	35%	0.349	S	S	*	.	S	Bend	trans	-106.2	-18.4	-172.6	-59.7	-18.7	0	0	0	112.5	S141	S141-N143 PolarHBondContact OG-N 3.28Å
144	Q	89.8	Confident	89.1	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	35%	0.351	S	S	.	.	S	Bend	trans	-139	151.2	-175.1	-70	168.9	-21.4	0	0	109.2	F101 S139 S141 I146	F101-Q144 VanDerWaalsContact CD1-OE1 3.24Å; F101-Q144 HydrophobicContact CE1-CB 4.2Å; F101-Q144 HydrophobicContact CE1-CG 4.01Å; F101-Q144 HydrophobicContact CZ-CB 4.04Å; F101-Q144 HydrophobicContact CZ-CG 4.21Å; S139-Q144 PolarHBondContact OG-O 3.43Å; S141-Q144 WeakPolarHBondContact CB-O 3.18Å; S141-Q144 PolarHBondContact OG-N 3.33Å; Q144-I146 HydrophobicContact CB-CD1 4.14Å; Q144-I146 HydrophobicContact CB-CG1 4.02Å; Q144-I146 PolarHBondContact O-N 3.34Å
145	Q	93.7	Very high	86.7	Confident	148 Å²	148	74.1 Å²	74.1	69%	0.692	37%	0.371	S	S	*	.			trans	-87.4	104.1	176.5	-169.6	173.3	45.8	0	0	109.7	F147	Q145-F147 HydrophobicContact CG-CD2 4.37Å; Q145-F147 HydrophobicContact CG-CE1 4.35Å; Q145-F147 HydrophobicContact CG-CE2 3.57Å; Q145-F147 HydrophobicContact CG-CZ 3.58Å
146	I	94.9	Very high	84.4	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.015	41%	0.405	C	S	.	.			trans	-131.7	110.4	-176.2	-49.6	-179.7	0	0	0	108.2	V99 F101 S139 V140 Q144	V99-I146 HydrophobicContact CG1-CG2 4.44Å; V99-I146 HydrophobicContact CG2-CG2 3.77Å; F101-I146 HydrophobicContact CB-CD1 3.84Å; F101-I146 HydrophobicContact CD1-CD1 4.16Å; F101-I146 HydrophobicContact CD2-CB 4.44Å; F101-I146 HydrophobicContact CD2-CD1 3.67Å; F101-I146 HydrophobicContact CD2-CG1 3.49Å; F101-I146 VanDerWaalsContact CD2-CG1 3.49Å; F101-I146 HydrophobicContact CD2-CG2 4.39Å; F101-I146 HydrophobicContact CE2-CD1 4.24Å; F101-I146 HydrophobicContact CE2-CG1 3.74Å; F101-I146 HydrophobicContact CG-CD1 3.6Å; F101-I146 HydrophobicContact CG-CG1 3.98Å; F101-I146 HydrophobicContact CZ-CG1 4.45Å; S139-I146 CarbonylContact C-O 3.41Å; S139-I146 VanDerWaalsContact CA-O 3.29Å; S139-I146 WeakPolarHBondContact CA-O 3.25Å; S139-I146 PolarHBondContact OG-N 3.05Å; V140-I146 HydrophobicContact CG1-CB 3.79Å; V140-I146 HydrophobicContact CG1-CG2 3.76Å; V140-I146 PolarHBondContact N-O 2.95Å; Q144-I146 HydrophobicContact CB-CD1 4.14Å; Q144-I146 HydrophobicContact CB-CG1 4.02Å; Q144-I146 PolarHBondContact O-N 3.34Å
147	F	96.6	Very high	82.3	Confident	62 Å²	62	84 Å²	84	27%	0.272	42%	0.42	S	S	.	.			trans	-100.4	139.2	176.1	-57.5	-63.7	0	0	0	110.2	G81 S137 Q145 R149	G81-F147 WeakPolarHBondContact CA-O 3.44Å; S137-F147 VanDerWaalsContact O-CE1 3.25Å; S137-F147 WeakPolarHBondContact O-CE1 3.48Å; Q145-F147 HydrophobicContact CG-CD2 4.37Å; Q145-F147 HydrophobicContact CG-CE1 4.35Å; Q145-F147 HydrophobicContact CG-CE2 3.57Å; Q145-F147 HydrophobicContact CG-CZ 3.58Å; F147-R149 PolarHBondContact O-N 3.25Å
148	L	95.9	Very high	80.7	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	41%	0.406	C	S	.	.			trans	-69.6	129.9	178.1	-60.9	-175	0	0	0	110.8	F83 L97 V99 V132 H135 R136 V140	F83-L148 HydrophobicContact CB-CD2 3.83Å; F83-L148 HydrophobicContact CD1-CB 3.62Å; F83-L148 HydrophobicContact CD1-CD1 4.49Å; F83-L148 HydrophobicContact CD1-CD2 4.05Å; F83-L148 HydrophobicContact CD1-CG 4.23Å; F83-L148 HydrophobicContact CD2-CD1 4.17Å; F83-L148 HydrophobicContact CD2-CD2 4.22Å; F83-L148 HydrophobicContact CE1-CB 3.73Å; F83-L148 HydrophobicContact CE2-CD1 4.15Å; F83-L148 HydrophobicContact CG-CB 4.18Å; F83-L148 HydrophobicContact CG-CD1 4.36Å; F83-L148 HydrophobicContact CG-CD2 3.75Å; F83-L148 HydrophobicContact CG-CG 4.29Å; F83-L148 HydrophobicContact CZ-CB 4.32Å; F83-L148 HydrophobicContact CZ-CD1 4.35Å; L97-L148 HydrophobicContact CD1-CD1 3.83Å; L97-L148 HydrophobicContact CD1-CD2 4.15Å; L97-L148 HydrophobicContact CD2-CD2 4.12Å; V99-L148 HydrophobicContact CG2-CD2 4.22Å; V132-L148 HydrophobicContact CB-CD1 4.48Å; V132-L148 HydrophobicContact CG1-CD1 4.42Å; V132-L148 HydrophobicContact CG2-CD1 4.4Å; H135-L148 HydrophobicContact CB-CD1 3.47Å; H135-L148 VanDerWaalsContact CB-CD1 3.47Å; H135-L148 HydrophobicContact CB-CG 3.7Å; H135-L148 PolarHBondContact O-N 3.42Å; R136-L148 HydrophobicContact CG-CB 4.38Å; V140-L148 HydrophobicContact CB-CD2 4.4Å; V140-L148 HydrophobicContact CG1-CD2 4.34Å
149	R	94	Very high	79.9	Confident	139 Å²	139	83.1 Å²	83.1	53%	0.525	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.1	174.6	-64.5	-174.4	180	-175.3	1.5	108.6	G81 A82 F83 F147	G81-R149 PolarHBondContact O-N 2.79Å; G81-R149 VanDerWaalsContact O-O 3.13Å; A82-R149 VanDerWaalsContact CA-O 3.27Å; A82-R149 WeakPolarHBondContact CA-O 3.04Å; F83-R149 WeakPolarHBondContact CD1-O 3.14Å; F83-R149 PolarHBondContact N-O 3.35Å; F147-R149 PolarHBondContact O-N 3.25Å
150	D	90.2	Very high	79.5	Confident	60 Å²	60	85.5 Å²	85.5	32%	0.321	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	145.7	179.5	-60.9	-56	0	0	0	110.4	H79 R136 E152	H79-D150 PolarHBondContact CE1-O 2.73Å; R136-D150 IonicContact CZ-OD1 2.78Å; R136-D150 IonicContact CZ-OD2 2.82Å; R136-D150 IonicContact NH1-OD1 2.87Å; R136-D150 PolarHBondContact NH1-OD1 2.8Å; R136-D150 IonicContact NH1-OD2 3.8Å; R136-D150 PolarHBondContact NH1-OD2 3.19Å; R136-D150 VanDerWaalsContact NH2-CG 3.34Å; R136-D150 IonicContact NH2-OD1 2.75Å; R136-D150 PolarHBondContact NH2-OD1 3.25Å; R136-D150 IonicContact NH2-OD2 2.7Å; R136-D150 PolarHBondContact NH2-OD2 3.01Å; R136-D150 VanDerWaalsContact NH2-OD2 3.15Å; D150-E152 PolarHBondContact O-N 3.06Å
151	I	87	Confident	79.5	Confident	20 Å²	20	85.7 Å²	85.7	10%	0.103	42%	0.418	C	S	.	.			trans	-59.2	127.8	172.1	-73.4	172.1	0	0	0	107.6	F62 L74 Q77 A82 F83 L84 Q153	F62-I151 HydrophobicContact CE2-CD1 4.01Å; F62-I151 HydrophobicContact CZ-CD1 4.25Å; L74-I151 HydrophobicContact CD2-CD1 3.64Å; L74-I151 HydrophobicContact CD2-CG1 3.84Å; Q77-I151 HydrophobicContact CG-CG2 4.41Å; A82-I151 HydrophobicContact CB-CG1 4.46Å; F83-I151 VanDerWaalsContact O-CD1 3.23Å; F83-I151 WeakPolarHBondContact O-CD1 3.3Å; F83-I151 VanDerWaalsContact O-CG1 3.27Å; F83-I151 WeakPolarHBondContact O-CG1 3.44Å; L84-I151 HydrophobicContact CB-CD1 3.9Å; L84-I151 HydrophobicContact CD2-CD1 3.98Å; L84-I151 HydrophobicContact CG-CD1 4.35Å; I151-Q153 PolarHBondContact O-N 2.89Å
152	E	80.8	Confident	79.6	Confident	100 Å²	100	88.5 Å²	88.5	47%	0.467	43%	0.429	S	S	.	.			trans	-61.1	106.9	160.8	-76.8	178.2	-172	0	0	105.9	Q77 H79 D150 V154	Q77-E152 PolarHBondContact NE2-O 3.1Å; H79-E152 IonicContact CD2-OE1 2.73Å; H79-E152 IonicContact NE2-OE1 3.99Å; D150-E152 PolarHBondContact O-N 3.06Å; E152-V154 PolarHBondContact O-N 3.27Å
153	Q	63	Low	80	Confident	146 Å²	146	80.8 Å²	80.8	68%	0.682	40%	0.401	S	S	*	.			trans	-61.6	92.4	168.3	-69.6	-170.7	10	0	0	106	I151 P155	I151-Q153 PolarHBondContact O-N 2.89Å; Q153-P155 VanDerWaalsContact O-CD 3.3Å; Q153-P155 WeakPolarHBondContact O-CD 3.28Å
154	V	50.9	Low	80.2	Confident	89 Å²	89	76.9 Å²	76.9	54%	0.539	38%	0.38	S	S	.	.			trans	-51.2	120.5	161.7	-175.8	0	0	0	0	103.2	E152 Q156	E152-V154 PolarHBondContact O-N 3.27Å; V154-Q156 VanDerWaalsContact C-N 3.3Å; V154-Q156 PolarHBondContact O-N 3Å
155	P	42.9	Very low	80.4	Confident	114 Å²	114	78.3 Å²	78.3	74%	0.74	39%	0.385	S	S	*	.			trans	-51.2	108	172.7	-21.7	31.1	0	0	0	104.8	Q153 Q157	Q153-P155 VanDerWaalsContact O-CD 3.3Å; Q153-P155 WeakPolarHBondContact O-CD 3.28Å; P155-Q157 PolarHBondContact O-N 2.84Å; P155-Q157 VanDerWaalsContact O-N 3.07Å
156	Q	47.4	Very low	80.5	Confident	160 Å²	160	74.7 Å²	74.7	75%	0.748	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-55.2	128.4	173	-68.2	-160.4	28.8	0	0	103.3	V154	V154-Q156 VanDerWaalsContact C-N 3.3Å; V154-Q156 PolarHBondContact O-N 3Å
157	Q	52.5	Low	80.6	Confident	134 Å²	134	75.5 Å²	75.5	63%	0.626	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-47.1	129.7	176.5	-77.2	-172.3	1	0	0	106.6	P155 T159	P155-Q157 PolarHBondContact O-N 2.84Å; P155-Q157 VanDerWaalsContact O-N 3.07Å; Q157-T159 PolarHBondContact O-N 2.81Å
158	P	59.1	Low	80.5	Confident	51 Å²	51	77 Å²	77	33%	0.331	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-49.3	117.5	-174.1	12.3	-26.3	0	0	0	108.2	Y160 Q184	P158-Y160 HydrophobicContact CB-CD2 4.27Å; P158-Y160 HydrophobicContact CB-CE2 3.6Å; P158-Y160 HydrophobicContact CG-CE2 3.71Å; P158-Y160 WeakPolarHBondContact O-CD2 3.42Å; P158-Y160 WeakPolarHBondContact O-CE2 3.22Å; P158-Y160 PolarHBondContact O-N 2.84Å; P158-Q184 HydrophobicContact CB-CG 3.84Å
159	T	78.2	Confident	80.4	Confident	70 Å²	70	80 Å²	80	43%	0.429	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117	179.5	-64.2	0	0	0	0	105.6	Q157 V185	Q157-T159 PolarHBondContact O-N 2.81Å; T159-V185 HydrophobicContact CG2-CB 4.5Å; T159-V185 HydrophobicContact CG2-CG2 4.47Å; T159-V185 WeakPolarHBondContact O-CB 3.44Å; T159-V185 PolarHBondContact O-N 3.15Å
160	Y	89.1	Confident	80.1	Confident	81 Å²	81	81.7 Å²	81.7	32%	0.318	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.9	178.1	-71.6	-86.2	0	0	0	110.2	P158 F182 I183 Q184 V213	P158-Y160 HydrophobicContact CB-CD2 4.27Å; P158-Y160 HydrophobicContact CB-CE2 3.6Å; P158-Y160 HydrophobicContact CG-CE2 3.71Å; P158-Y160 WeakPolarHBondContact O-CD2 3.42Å; P158-Y160 WeakPolarHBondContact O-CE2 3.22Å; P158-Y160 PolarHBondContact O-N 2.84Å; Y160-F182 HydrophobicContact CD1-CB 4.24Å; Y160-I183 WeakPolarHBondContact CA-O 3.28Å; Y160-Q184 HydrophobicContact CD1-CB 4.19Å; Y160-Q184 HydrophobicContact CE1-CB 3.75Å; Y160-Q184 HydrophobicContact CE1-CG 4.42Å; Y160-V213 WeakPolarHBondContact O-CB 3.18Å; Y160-V213 PolarHBondContact O-N 2.96Å
161	V	92.9	Very high	80.1	Confident	3 Å²	3	85.8 Å²	85.8	2%	0.018	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.8	168	-63.4	0	0	0	0	108.7	F182 I183 V185 W194 F205 V210 T211	V161-F182 WeakPolarHBondContact O-CA 3.39Å; V161-I183 HydrophobicContact CG2-CB 3.84Å; V161-I183 HydrophobicContact CG2-CG2 4.48Å; V161-I183 PolarHBondContact N-O 2.87Å; V161-I183 PolarHBondContact O-N 2.8Å; V161-V185 HydrophobicContact CB-CG2 4.34Å; V161-V185 HydrophobicContact CG1-CG2 3.64Å; V161-V185 HydrophobicContact CG2-CG2 3.87Å; V161-W194 HydrophobicContact CG1-CZ3 3.97Å; V161-F205 HydrophobicContact CG2-CE2 4.17Å; V161-F205 HydrophobicContact CG2-CZ 4.03Å; V161-V210 HydrophobicContact CB-CB 3.82Å; V161-V210 HydrophobicContact CB-CG1 4.46Å; V161-V210 HydrophobicContact CB-CG2 3.87Å; V161-V210 HydrophobicContact CG1-CG2 4.18Å; V161-V210 HydrophobicContact CG2-CB 3.73Å; V161-V210 HydrophobicContact CG2-CG1 3.83Å; V161-V210 HydrophobicContact CG2-CG2 3.8Å; V161-T211 CarbonylContact C-O 3.6Å; V161-T211 WeakPolarHBondContact CA-O 3.34Å; V161-T211 WeakPolarHBondContact CB-O 3.32Å
162	Q	95.2	Very high	80	Confident	74 Å²	74	94.7 Å²	94.7	35%	0.346	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.1	176.2	-171.1	174.6	25.2	0	0	109.9	L164 G180 D181 F182 V210 T211 V213	Q162-L164 PolarHBondContact O-N 3.33Å; Q162-G180 PolarHBondContact NE2-O 2.82Å; Q162-D181 CarbonylContact C-O 3.42Å; Q162-D181 WeakPolarHBondContact CA-O 3.4Å; Q162-F182 HydrophobicContact CB-CD1 4.33Å; Q162-F182 HydrophobicContact CB-CE1 4.18Å; Q162-F182 HydrophobicContact CG-CE1 4.26Å; Q162-V210 CarbonylContact O-C 3.5Å; Q162-V210 VanDerWaalsContact O-CA 3.23Å; Q162-V210 WeakPolarHBondContact O-CA 3.37Å; Q162-T211 HydrophobicContact CB-CG2 4.07Å; Q162-T211 PolarHBondContact N-O 2.96Å; Q162-T211 PolarHBondContact O-N 3.28Å; Q162-V213 HydrophobicContact CB-CG2 3.9Å
163	A	96.2	Very high	80.3	Confident	3 Å²	3	92.2 Å²	92.2	3%	0.025	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.3	176.3	0	0	0	0	0	111.6	F177 R178 G180 D181 I183 Y209	A163-F177 HydrophobicContact CB-CD2 3.44Å; A163-F177 VanDerWaalsContact CB-CD2 3.44Å; A163-F177 HydrophobicContact CB-CE2 3.76Å; A163-F177 HydrophobicContact CB-CG 4.47Å; A163-R178 VanDerWaalsContact CB-O 3.26Å; A163-R178 WeakPolarHBondContact CB-O 3.09Å; A163-G180 PolarHBondContact O-N 2.89Å; A163-D181 HydrophobicContact CB-CB 4.39Å; A163-D181 PolarHBondContact N-O 2.93Å; A163-I183 HydrophobicContact CB-CD1 4.31Å; A163-Y209 CarbonylContact C-O 3.47Å
164	L	94.1	Very high	81.8	Confident	71 Å²	71	86.8 Å²	86.8	37%	0.372	45%	0.453	S	S	.	.	S	Bend	trans	-85.7	-27.4	173.9	-66.3	175.1	0	0	0	112	Q162 R179 Y209 T211	Q162-L164 PolarHBondContact O-N 3.33Å; L164-R179 VanDerWaalsContact O-CD 3.23Å; L164-R179 WeakPolarHBondContact O-CD 2.95Å; L164-R179 VanDerWaalsContact O-CG 3.29Å; L164-R179 WeakPolarHBondContact O-CG 3.43Å; L164-Y209 PolarHBondContact N-O 3.29Å; L164-T211 HydrophobicContact CD2-CG2 3.74Å; L164-T211 HydrophobicContact CG-CG2 4.2Å
165	F	93.5	Very high	83.9	Confident	113 Å²	113	82.6 Å²	82.6	50%	0.496	43%	0.427	S	S	.	.	S	Bend	trans	-137.7	160.9	-178.3	-49.3	-70.8	0	0	0	110.4	F177 Y209	F165-F177 WeakPolarHBondContact O-CE2 3.32Å; F165-Y209 HydrophobicContact CB-CD1 3.78Å; F165-Y209 HydrophobicContact CB-CE1 4.04Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.3Å
166	D	96.6	Very high	86.4	Confident	72 Å²	72	77.9 Å²	77.9	39%	0.385	40%	0.399	S	S	.	.			trans	-69.7	145.5	167.5	-69.2	17.8	0	0	0	109.4	R178 R179 Y209	D166-R178 WeakPolarHBondContact OD2-CD 3.33Å; D166-R178 IonicContact OD2-CZ 3.15Å; D166-R178 IonicContact OD2-NE 2.75Å; D166-R178 IonicContact OD2-NH1 3.55Å; D166-R178 PolarHBondContact OD2-NH1 2.73Å; D166-R179 VanDerWaalsContact OD1-CB 3.26Å; D166-R179 WeakPolarHBondContact OD1-CB 3.32Å; D166-R179 PolarHBondContact OD1-N 2.81Å; D166-Y209 WeakPolarHBondContact O-CE1 3.22Å
167	F	96.1	Very high	88.8	Confident	20 Å²	20	70.6 Å²	70.6	9%	0.088	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-137.6	111.8	174.3	-178.1	-99.7	0	0	0	108.9	E174 L175 G176 F177 W193 P206 Y209	F167-E174 HydrophobicContact CE1-CB 4.16Å; F167-E174 WeakPolarHBondContact CZ-OE2 3.48Å; F167-L175 WeakPolarHBondContact CD1-O 3.44Å; F167-G176 WeakPolarHBondContact O-CA 3.5Å; F167-F177 HydrophobicContact CB-CD1 4.2Å; F167-F177 HydrophobicContact CB-CD2 4.1Å; F167-F177 HydrophobicContact CB-CE1 3.6Å; F167-F177 HydrophobicContact CB-CE2 3.56Å; F167-F177 HydrophobicContact CB-CG 4.41Å; F167-F177 HydrophobicContact CB-CZ 3.29Å; F167-F177 HydrophobicContact CD1-CD1 4.36Å; F167-F177 AromaticContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CZ 4.11Å; F167-F177 AromaticContact CG-CE1 3.9Å; F167-F177 HydrophobicContact CG-CE1 3.9Å; F167-F177 AromaticContact CG-CZ 3.84Å; F167-F177 HydrophobicContact CG-CZ 3.84Å; F167-F177 PolarHBondContact N-O 2.88Å; F167-F177 PolarHBondContact O-N 2.82Å; F167-F177 VanDerWaalsContact O-N 3.11Å; F167-W193 AromaticContact CZ-CH2 3.96Å; F167-W193 HydrophobicContact CZ-CH2 3.96Å; F167-W193 HydrophobicContact CZ-CZ3 4.16Å; F167-P206 HydrophobicContact CD2-CG 3.89Å; F167-P206 HydrophobicContact CE2-CG 3.76Å; F167-P206 HydrophobicContact CZ-CG 4.36Å; F167-Y209 HydrophobicContact CB-CD1 4.03Å; F167-Y209 HydrophobicContact CB-CE1 4.37Å; F167-Y209 HydrophobicContact CD2-CD1 4.13Å; F167-Y209 AromaticContact CD2-CE1 3.99Å; F167-Y209 HydrophobicContact CD2-CE1 3.99Å; F167-Y209 HydrophobicContact CG-CD1 4.49Å
168	D	95.5	Very high	90.9	Very high	94 Å²	94	70.1 Å²	70.1	50%	0.503	36%	0.358	S	S	.	.			trans	-94.4	122	174.6	-64.7	-61.1	0	0	0	108.4	Q170 R178	D168-Q170 PolarHBondContact O-N 2.98Å; D168-R178 IonicContact OD1-CZ 3.17Å; D168-R178 IonicContact OD1-NH1 3.65Å; D168-R178 IonicContact OD1-NH2 2.71Å; D168-R178 PolarHBondContact OD1-NH2 2.99Å
169	P	92.4	Very high	92.7	Very high	66 Å²	66	76.6 Å²	76.6	43%	0.429	38%	0.376	S	S	.	.			trans	-56.6	131	-179.1	-28.6	38	0	0	0	112.4	E174 G176	P169-E174 WeakPolarHBondContact CA-OE2 2.88Å; P169-E174 HydrophobicContact CB-CB 3.89Å; P169-G176 VanDerWaalsContact CG-CA 3.41Å; P169-G176 VanDerWaalsContact CG-N 3.3Å
170	Q	88.3	Confident	93.4	Very high	175 Å²	175	74.6 Å²	74.6	82%	0.818	37%	0.369	S	S	*	.			trans	-101.3	-31.2	175.8	-60.3	-172	1.4	0	0	112	D168 E174	D168-Q170 PolarHBondContact O-N 2.98Å; Q170-E174 PolarHBondContact N-OE2 2.99Å
171	E	89.9	Confident	93.7	Very high	145 Å²	145	72.3 Å²	72.3	68%	0.678	36%	0.362	S	S	*	.	S	Bend	trans	-121.4	156.9	-178.2	-63.4	-170.8	-178.6	0	0	113.1	G173 E174	E171-G173 PolarHBondContact O-N 3.48Å; E171-E174 HydrophobicContact CB-CG 4.26Å; E171-E174 PolarHBondContact N-OE2 3.43Å; E171-E174 WeakPolarHBondContact O-CB 3.45Å; E171-E174 PolarHBondContact O-N 3.17Å
172	E	84.7	Confident	93.8	Very high	208 Å²	208	77.6 Å²	77.6	97%	0.972	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	122.5	175.3	-168.7	177.7	-179	0	0	110.1
173	G	87.4	Confident	93.7	Very high	48 Å²	48	74.1 Å²	74.1	50%	0.495	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.3	-2.7	-176.4	0	0	0	0	0	114.5	E171 G203 M204	E171-G173 PolarHBondContact O-N 3.48Å; G173-G203 CarbonylContact O-C 3.52Å; G173-G203 WeakPolarHBondContact O-CA 3.27Å; G173-M204 PolarHBondContact O-N 2.83Å
174	E	94.7	Very high	93.5	Very high	32 Å²	32	77.2 Å²	77.2	15%	0.15	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-80.1	147.9	169.6	-71	-175.6	174.6	0	0	112.4	F167 P169 Q170 E171 W193 M204	F167-E174 HydrophobicContact CE1-CB 4.16Å; F167-E174 WeakPolarHBondContact CZ-OE2 3.48Å; P169-E174 WeakPolarHBondContact CA-OE2 2.88Å; P169-E174 HydrophobicContact CB-CB 3.89Å; Q170-E174 PolarHBondContact N-OE2 2.99Å; E171-E174 HydrophobicContact CB-CG 4.26Å; E171-E174 PolarHBondContact N-OE2 3.43Å; E171-E174 WeakPolarHBondContact O-CB 3.45Å; E171-E174 PolarHBondContact O-N 3.17Å; E174-W193 HydrophobicContact CG-CH2 4.31Å; E174-W193 HydrophobicContact CG-CZ3 4.11Å; E174-W193 VanDerWaalsContact OE1-CH2 3.3Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.44Å; E174-M204 CarbonylContact C-O 3.54Å; E174-M204 WeakPolarHBondContact CA-O 3.47Å
175	L	95.4	Very high	93.3	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-99.4	117.1	-178.6	-178.9	69.6	0	0	0	110.6	F167 F177 I183 C198 Q201 M204 F205	F167-L175 WeakPolarHBondContact CD1-O 3.44Å; L175-F177 HydrophobicContact CG-CD1 4.42Å; L175-F177 WeakPolarHBondContact O-CD1 3.18Å; L175-F177 WeakPolarHBondContact O-CE1 3.48Å; L175-I183 HydrophobicContact CD2-CG2 3.78Å; L175-C198 HydrophobicContact CD1-CB 4.22Å; L175-C198 HydrophobicContact CD2-CB 3.95Å; L175-C198 HydrophobicContact CG-CB 4.29Å; L175-Q201 HydrophobicContact CD1-CB 3.93Å; L175-Q201 WeakPolarHBondContact CD1-O 3.17Å; L175-M204 PolarHBondContact N-O 3.2Å; L175-F205 HydrophobicContact CD2-CD1 4.1Å
176	G	95.1	Very high	92.8	Very high	16 Å²	16	73.2 Å²	73.2	17%	0.165	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-82.3	138.7	175.6	0	0	0	0	0	112.8	F167 P169	F167-G176 WeakPolarHBondContact O-CA 3.5Å; P169-G176 VanDerWaalsContact CG-CA 3.41Å; P169-G176 VanDerWaalsContact CG-N 3.3Å
177	F	96.9	Very high	91.8	Very high	7 Å²	7	73.4 Å²	73.4	3%	0.031	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-155.8	163.5	177	53	-90.7	0	0	0	111.7	A163 F165 F167 L175 D181 I183 F205	A163-F177 HydrophobicContact CB-CD2 3.44Å; A163-F177 VanDerWaalsContact CB-CD2 3.44Å; A163-F177 HydrophobicContact CB-CE2 3.76Å; A163-F177 HydrophobicContact CB-CG 4.47Å; F165-F177 WeakPolarHBondContact O-CE2 3.32Å; F167-F177 HydrophobicContact CB-CD1 4.2Å; F167-F177 HydrophobicContact CB-CD2 4.1Å; F167-F177 HydrophobicContact CB-CE1 3.6Å; F167-F177 HydrophobicContact CB-CE2 3.56Å; F167-F177 HydrophobicContact CB-CG 4.41Å; F167-F177 HydrophobicContact CB-CZ 3.29Å; F167-F177 HydrophobicContact CD1-CD1 4.36Å; F167-F177 AromaticContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CZ 4.11Å; F167-F177 AromaticContact CG-CE1 3.9Å; F167-F177 HydrophobicContact CG-CE1 3.9Å; F167-F177 AromaticContact CG-CZ 3.84Å; F167-F177 HydrophobicContact CG-CZ 3.84Å; F167-F177 PolarHBondContact N-O 2.88Å; F167-F177 PolarHBondContact O-N 2.82Å; F167-F177 VanDerWaalsContact O-N 3.11Å; L175-F177 HydrophobicContact CG-CD1 4.42Å; L175-F177 WeakPolarHBondContact O-CD1 3.18Å; L175-F177 WeakPolarHBondContact O-CE1 3.48Å; F177-D181 HydrophobicContact CB-CB 4.29Å; F177-I183 HydrophobicContact CB-CD1 4.23Å; F177-I183 HydrophobicContact CB-CG1 4.49Å; F177-I183 HydrophobicContact CD1-CD1 3.68Å; F177-I183 HydrophobicContact CD2-CD1 3.83Å; F177-I183 HydrophobicContact CE1-CD1 3.97Å; F177-I183 HydrophobicContact CE2-CD1 4.05Å; F177-I183 HydrophobicContact CG-CD1 3.62Å; F177-I183 HydrophobicContact CG-CG1 4.38Å; F177-I183 HydrophobicContact CZ-CD1 4.12Å; F177-F205 HydrophobicContact CD1-CB 4.4Å; F177-F205 HydrophobicContact CE1-CB 3.4Å; F177-F205 VanDerWaalsContact CE1-CB 3.4Å; F177-F205 HydrophobicContact CE1-CD2 4.36Å; F177-F205 HydrophobicContact CE1-CG 4.05Å; F177-F205 HydrophobicContact CZ-CB 4Å; F177-F205 HydrophobicContact CZ-CD2 4.39Å
178	R	97.5	Very high	90.9	Very high	123 Å²	123	76.7 Å²	76.7	46%	0.464	39%	0.386	S	S	.	.			trans	-107.3	154	176.5	-62.7	-67.7	172.2	-162.4	-17.4	110.4	A163 D166 D168 G180 D181	A163-R178 VanDerWaalsContact CB-O 3.26Å; A163-R178 WeakPolarHBondContact CB-O 3.09Å; D166-R178 WeakPolarHBondContact OD2-CD 3.33Å; D166-R178 IonicContact OD2-CZ 3.15Å; D166-R178 IonicContact OD2-NE 2.75Å; D166-R178 IonicContact OD2-NH1 3.55Å; D166-R178 PolarHBondContact OD2-NH1 2.73Å; D168-R178 IonicContact OD1-CZ 3.17Å; D168-R178 IonicContact OD1-NH1 3.65Å; D168-R178 IonicContact OD1-NH2 2.71Å; D168-R178 PolarHBondContact OD1-NH2 2.99Å; R178-G180 PolarHBondContact O-N 3.24Å; R178-D181 PolarHBondContact N-OD2 3.09Å; R178-D181 VanDerWaalsContact O-CB 3.24Å; R178-D181 WeakPolarHBondContact O-CB 3.37Å; R178-D181 PolarHBondContact O-N 2.64Å
179	R	96.3	Very high	89.4	Confident	188 Å²	188	76.9 Å²	76.9	71%	0.709	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	129.3	173.2	174	176	176.6	-168.8	-1.2	110.1	L164 D166	L164-R179 VanDerWaalsContact O-CD 3.23Å; L164-R179 WeakPolarHBondContact O-CD 2.95Å; L164-R179 VanDerWaalsContact O-CG 3.29Å; L164-R179 WeakPolarHBondContact O-CG 3.43Å; D166-R179 VanDerWaalsContact OD1-CB 3.26Å; D166-R179 WeakPolarHBondContact OD1-CB 3.32Å; D166-R179 PolarHBondContact OD1-N 2.81Å
180	G	93.6	Very high	88.7	Confident	28 Å²	28	77 Å²	77	29%	0.289	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-14.7	-179	0	0	0	0	0	114.2	Q162 A163 R178	Q162-G180 PolarHBondContact NE2-O 2.82Å; A163-G180 PolarHBondContact O-N 2.89Å; R178-G180 PolarHBondContact O-N 3.24Å
181	D	95.9	Very high	87.8	Confident	32 Å²	32	72.3 Å²	72.3	17%	0.171	38%	0.377	C	S	.	.			trans	-62.1	143.9	178.9	-73.3	-15	0	0	0	111.9	Q162 A163 F177 R178 H199	Q162-D181 CarbonylContact C-O 3.42Å; Q162-D181 WeakPolarHBondContact CA-O 3.4Å; A163-D181 HydrophobicContact CB-CB 4.39Å; A163-D181 PolarHBondContact N-O 2.93Å; F177-D181 HydrophobicContact CB-CB 4.29Å; R178-D181 PolarHBondContact N-OD2 3.09Å; R178-D181 VanDerWaalsContact O-CB 3.24Å; R178-D181 WeakPolarHBondContact O-CB 3.37Å; R178-D181 PolarHBondContact O-N 2.64Å; D181-H199 IonicContact OD1-CE1 3.15Å; D181-H199 IonicContact OD2-CE1 3.43Å; D181-H199 PolarHBondContact OD2-CE1 3.31Å; D181-H199 IonicContact OD2-ND1 3.38Å
182	F	93.9	Very high	87.3	Confident	115 Å²	115	70.6 Å²	70.6	50%	0.504	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.2	170.5	-68.1	-77.4	0	0	0	109.5	Y160 V161 Q162 V213	Y160-F182 HydrophobicContact CD1-CB 4.24Å; V161-F182 WeakPolarHBondContact O-CA 3.39Å; Q162-F182 HydrophobicContact CB-CD1 4.33Å; Q162-F182 HydrophobicContact CB-CE1 4.18Å; Q162-F182 HydrophobicContact CG-CE1 4.26Å; F182-V213 HydrophobicContact CD1-CG2 3.77Å; F182-V213 HydrophobicContact CE1-CG1 4.16Å; F182-V213 HydrophobicContact CE1-CG2 3.65Å
183	I	94.3	Very high	87.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.2	-179.1	-55	162.4	0	0	0	107.4	Y160 V161 A163 L175 F177 V185 C198 F205 V210	Y160-I183 WeakPolarHBondContact CA-O 3.28Å; V161-I183 HydrophobicContact CG2-CB 3.84Å; V161-I183 HydrophobicContact CG2-CG2 4.48Å; V161-I183 PolarHBondContact N-O 2.87Å; V161-I183 PolarHBondContact O-N 2.8Å; A163-I183 HydrophobicContact CB-CD1 4.31Å; L175-I183 HydrophobicContact CD2-CG2 3.78Å; F177-I183 HydrophobicContact CB-CD1 4.23Å; F177-I183 HydrophobicContact CB-CG1 4.49Å; F177-I183 HydrophobicContact CD1-CD1 3.68Å; F177-I183 HydrophobicContact CD2-CD1 3.83Å; F177-I183 HydrophobicContact CE1-CD1 3.97Å; F177-I183 HydrophobicContact CE2-CD1 4.05Å; F177-I183 HydrophobicContact CG-CD1 3.62Å; F177-I183 HydrophobicContact CG-CG1 4.38Å; F177-I183 HydrophobicContact CZ-CD1 4.12Å; I183-V185 PolarHBondContact O-N 3.18Å; I183-C198 HydrophobicContact CG1-CB 4.16Å; I183-C198 HydrophobicContact CG2-CB 4.47Å; I183-F205 HydrophobicContact CD1-CD2 4.5Å; I183-F205 HydrophobicContact CG2-CD1 4.24Å; I183-F205 HydrophobicContact CG2-CE1 3.75Å; I183-F205 HydrophobicContact CG2-CZ 4.03Å; I183-V210 HydrophobicContact CD1-CG1 3.81Å
184	Q	92.1	Very high	87.5	Confident	68 Å²	68	64.4 Å²	64.4	32%	0.318	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	117.9	171.1	179.7	-179.4	-4.4	0	0	108.4	P158 Y160 L186 G196 A197	P158-Q184 HydrophobicContact CB-CG 3.84Å; Y160-Q184 HydrophobicContact CD1-CB 4.19Å; Y160-Q184 HydrophobicContact CE1-CB 3.75Å; Y160-Q184 HydrophobicContact CE1-CG 4.42Å; Q184-L186 HydrophobicContact CG-CD2 4.13Å; Q184-L186 PolarHBondContact O-N 2.82Å; Q184-G196 CarbonylContact O-C 3.55Å; Q184-G196 WeakPolarHBondContact O-CA 3.3Å; Q184-A197 HydrophobicContact CB-CB 4.46Å; Q184-A197 PolarHBondContact N-O 3.3Å; Q184-A197 PolarHBondContact O-N 3.17Å
185	V	88.9	Confident	87.2	Confident	15 Å²	15	67.3 Å²	67.3	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.4	174.4	-177	0	0	0	0	108.9	T159 V161 I183 N188 W194 F205	T159-V185 HydrophobicContact CG2-CB 4.5Å; T159-V185 HydrophobicContact CG2-CG2 4.47Å; T159-V185 WeakPolarHBondContact O-CB 3.44Å; T159-V185 PolarHBondContact O-N 3.15Å; V161-V185 HydrophobicContact CB-CG2 4.34Å; V161-V185 HydrophobicContact CG1-CG2 3.64Å; V161-V185 HydrophobicContact CG2-CG2 3.87Å; I183-V185 PolarHBondContact O-N 3.18Å; V185-N188 HydrophobicContact CG1-CB 3.89Å; V185-W194 HydrophobicContact CG1-CE3 4.33Å; V185-W194 HydrophobicContact CG2-CE3 4.17Å; V185-W194 HydrophobicContact CG2-CZ3 4.44Å; V185-F205 HydrophobicContact CG2-CZ 4.41Å
186	L	82.5	Confident	87.1	Confident	86 Å²	86	67.3 Å²	67.3	45%	0.45	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-34.6	176.3	-58.5	-179.2	0	0	0	111.7	Q184 K195 A197 T202	Q184-L186 HydrophobicContact CG-CD2 4.13Å; Q184-L186 PolarHBondContact O-N 2.82Å; L186-K195 PolarHBondContact N-O 3.24Å; L186-A197 HydrophobicContact CD1-CB 4.15Å; L186-A197 HydrophobicContact CG-CB 4.46Å; L186-T202 HydrophobicContact CD1-CG2 3.63Å
187	D	76.4	Confident	87	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	131.8	176.2	-169.9	-9.4	0	0	0	109.8	S189 W194 K195	D187-S189 VanDerWaalsContact OD1-CB 3.23Å; D187-S189 WeakPolarHBondContact OD1-CB 3.46Å; D187-S189 PolarHBondContact OD1-N 2.98Å; D187-S189 PolarHBondContact OD1-OG 3.29Å; D187-S189 PolarHBondContact OD2-OG 3.22Å; D187-W194 CarbonylContact O-C 3.58Å; D187-W194 WeakPolarHBondContact O-CA 3.43Å; D187-W194 WeakPolarHBondContact O-CB 3.15Å; D187-K195 HydrophobicContact CB-CB 3.86Å; D187-K195 PolarHBondContact N-O 2.78Å; D187-K195 VanDerWaalsContact N-O 3.08Å; D187-K195 PolarHBondContact O-N 2.81Å
188	N	78.3	Confident	86.9	Confident	88 Å²	88	67.6 Å²	67.6	47%	0.471	34%	0.339	S	S	.	.			trans	-131	22.3	177	66.4	-2.2	0	0	0	112.7	V185 D190 W194	V185-N188 HydrophobicContact CG1-CB 3.89Å; N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 2.95Å; N188-W194 HydrophobicContact CB-CD2 3.64Å; N188-W194 HydrophobicContact CB-CE3 4.16Å; N188-W194 HydrophobicContact CB-CG 3.88Å; N188-W194 HydrophobicContact CB-CH2 4.43Å; N188-W194 HydrophobicContact CB-CZ2 3.94Å
189	S	63.8	Low	86.5	Confident	98 Å²	98	68.4 Å²	68.4	69%	0.685	35%	0.348	S	S	*	.			trans	-62.2	-34.2	179.7	53.7	0	0	0	0	112.8	D187	D187-S189 VanDerWaalsContact OD1-CB 3.23Å; D187-S189 WeakPolarHBondContact OD1-CB 3.46Å; D187-S189 PolarHBondContact OD1-N 2.98Å; D187-S189 PolarHBondContact OD1-OG 3.29Å; D187-S189 PolarHBondContact OD2-OG 3.22Å
190	D	76.4	Confident	86.1	Confident	70 Å²	70	63.6 Å²	63.6	37%	0.374	36%	0.356	S	S	.	.	S	Bend	trans	-81	136.7	174.1	-176.4	-72.5	0	0	0	111.3	N188 N192 W193 W194	N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 2.95Å; D190-N192 VanDerWaalsContact C-N 3.28Å; D190-N192 PolarHBondContact O-N 3.31Å; D190-N192 WeakPolarHBondContact OD1-CA 3.13Å; D190-N192 PolarHBondContact OD1-N 3.31Å; D190-W193 WeakPolarHBondContact CB-O 3.23Å; D190-W193 PolarHBondContact OD1-N 3.43Å; D190-W194 PolarHBondContact O-NE1 3.33Å
191	P	69.2	Low	86	Confident	76 Å²	76	68 Å²	68	49%	0.494	37%	0.37	S	S	.	.	S	Bend	trans	-70	-20.3	-175.6	27.4	-35.7	0	0	0	114.7	R207	P191-R207 WeakPolarHBondContact O-CD 3.45Å; P191-R207 PolarHBondContact O-NH1 3.09Å
192	N	79.3	Confident	85.8	Confident	108 Å²	108	70.3 Å²	70.3	58%	0.578	39%	0.385	S	S	*	.	S	Bend	trans	-116.2	-35.7	-171.1	-63.2	-41	0	0	0	112.9	D190 P206 R207	D190-N192 VanDerWaalsContact C-N 3.28Å; D190-N192 PolarHBondContact O-N 3.31Å; D190-N192 WeakPolarHBondContact OD1-CA 3.13Å; D190-N192 PolarHBondContact OD1-N 3.31Å; N192-P206 CarbonylContact O-C 3.48Å; N192-P206 WeakPolarHBondContact O-CA 3.22Å; N192-R207 WeakPolarHBondContact O-CB 3.29Å; N192-R207 PolarHBondContact O-N 2.69Å
193	W	88.6	Confident	85.8	Confident	94 Å²	94	65 Å²	65	36%	0.356	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.4	-172.6	-82	93.4	0	0	0	111.9	F167 E174 D190 M204 F205	F167-W193 AromaticContact CZ-CH2 3.96Å; F167-W193 HydrophobicContact CZ-CH2 3.96Å; F167-W193 HydrophobicContact CZ-CZ3 4.16Å; E174-W193 HydrophobicContact CG-CH2 4.31Å; E174-W193 HydrophobicContact CG-CZ3 4.11Å; E174-W193 VanDerWaalsContact OE1-CH2 3.3Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.44Å; D190-W193 WeakPolarHBondContact CB-O 3.23Å; D190-W193 PolarHBondContact OD1-N 3.43Å; W193-M204 HydrophobicContact CB-CE 3.9Å; W193-M204 HydrophobicContact CE3-CB 3.77Å; W193-M204 HydrophobicContact CZ3-CB 4.08Å; W193-M204 WeakPolarHBondContact O-CE 3.21Å; W193-F205 VanDerWaalsContact CE3-C 3.49Å
194	W	88.9	Confident	85.8	Confident	32 Å²	32	68.3 Å²	68.3	12%	0.121	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.6	-178.3	-67.2	-2.2	0	0	0	110.7	V161 V185 D187 N188 D190 M204 F205 R207 V210	V161-W194 HydrophobicContact CG1-CZ3 3.97Å; V185-W194 HydrophobicContact CG1-CE3 4.33Å; V185-W194 HydrophobicContact CG2-CE3 4.17Å; V185-W194 HydrophobicContact CG2-CZ3 4.44Å; D187-W194 CarbonylContact O-C 3.58Å; D187-W194 WeakPolarHBondContact O-CA 3.43Å; D187-W194 WeakPolarHBondContact O-CB 3.15Å; N188-W194 HydrophobicContact CB-CD2 3.64Å; N188-W194 HydrophobicContact CB-CE3 4.16Å; N188-W194 HydrophobicContact CB-CG 3.88Å; N188-W194 HydrophobicContact CB-CH2 4.43Å; N188-W194 HydrophobicContact CB-CZ2 3.94Å; D190-W194 PolarHBondContact O-NE1 3.33Å; W194-M204 CarbonylContact O-C 3.59Å; W194-M204 VanDerWaalsContact O-CA 3.31Å; W194-M204 WeakPolarHBondContact O-CA 3.45Å; W194-F205 HydrophobicContact CB-CD1 4.43Å; W194-F205 HydrophobicContact CB-CE1 3.82Å; W194-F205 HydrophobicContact CB-CE2 4.08Å; W194-F205 HydrophobicContact CB-CZ 3.64Å; W194-F205 HydrophobicContact CE3-CE2 4.34Å; W194-F205 HydrophobicContact CE3-CZ 4.16Å; W194-F205 PolarHBondContact N-O 2.81Å; W194-F205 VanDerWaalsContact O-CD1 3.27Å; W194-F205 WeakPolarHBondContact O-CD1 3.42Å; W194-F205 PolarHBondContact O-N 3.2Å; W194-R207 HydrophobicContact CD2-CB 4.14Å; W194-R207 HydrophobicContact CD2-CG 4.07Å; W194-R207 HydrophobicContact CE3-CG 4.41Å; W194-R207 HydrophobicContact CG-CB 4.39Å; W194-R207 HydrophobicContact CH2-CG 3.91Å; W194-R207 HydrophobicContact CZ2-CB 4.38Å; W194-R207 HydrophobicContact CZ2-CG 3.52Å; W194-R207 HydrophobicContact CZ3-CG 4.34Å; W194-V210 HydrophobicContact CZ3-CG2 4.48Å
195	K	88.4	Confident	85.9	Confident	94 Å²	94	65 Å²	65	41%	0.409	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.5	169.9	-165.8	174	-178.3	173.1	0	109	L186 D187 T202 G203 M204	L186-K195 PolarHBondContact N-O 3.24Å; D187-K195 HydrophobicContact CB-CB 3.86Å; D187-K195 PolarHBondContact N-O 2.78Å; D187-K195 VanDerWaalsContact N-O 3.08Å; D187-K195 PolarHBondContact O-N 2.81Å; K195-T202 HydrophobicContact CG-CG2 4.33Å; K195-G203 WeakPolarHBondContact CA-O 3.47Å; K195-M204 HydrophobicContact CB-SD 3.76Å; K195-M204 HydrophobicContact CD-SD 4.49Å; K195-M204 HydrophobicContact CG-SD 4.05Å
196	G	93.2	Very high	86.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	172.7	178.9	0	0	0	0	0	113.6	Q184 T202 G203	Q184-G196 CarbonylContact O-C 3.55Å; Q184-G196 WeakPolarHBondContact O-CA 3.3Å; G196-T202 VanDerWaalsContact O-CA 3.28Å; G196-T202 WeakPolarHBondContact O-CA 2.98Å; G196-T202 WeakPolarHBondContact O-CG2 3.49Å; G196-G203 PolarHBondContact N-O 3.03Å; G196-G203 PolarHBondContact O-N 2.92Å
197	A	93.6	Very high	86.5	Confident	22 Å²	22	66.8 Å²	66.8	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.5	169.5	0	0	0	0	0	110.4	Q184 L186 Q201	Q184-A197 HydrophobicContact CB-CB 4.46Å; Q184-A197 PolarHBondContact N-O 3.3Å; Q184-A197 PolarHBondContact O-N 3.17Å; L186-A197 HydrophobicContact CD1-CB 4.15Å; L186-A197 HydrophobicContact CG-CB 4.46Å; A197-Q201 WeakPolarHBondContact CA-O 3.49Å
198	C	93.4	Very high	87.3	Confident	7 Å²	7	68.6 Å²	68.6	5%	0.047	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.1	175.5	-166.6	0	0	0	0	108.2	L175 I183 G200 Q201	L175-C198 HydrophobicContact CD1-CB 4.22Å; L175-C198 HydrophobicContact CD2-CB 3.95Å; L175-C198 HydrophobicContact CG-CB 4.29Å; I183-C198 HydrophobicContact CG1-CB 4.16Å; I183-C198 HydrophobicContact CG2-CB 4.47Å; C198-G200 PolarHBondContact O-N 2.83Å; C198-Q201 PolarHBondContact N-O 2.84Å; C198-Q201 PolarHBondContact O-N 2.83Å; C198-Q201 VanDerWaalsContact O-O 3.13Å
199	H	89.6	Confident	88	Confident	140 Å²	140	68.1 Å²	68.1	65%	0.648	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.5	177.8	-58.8	131.3	0	0	0	115.8	D181 Q201	D181-H199 IonicContact OD1-CE1 3.15Å; D181-H199 IonicContact OD2-CE1 3.43Å; D181-H199 PolarHBondContact OD2-CE1 3.31Å; D181-H199 IonicContact OD2-ND1 3.38Å; H199-Q201 PolarHBondContact O-N 3.35Å
200	G	86.9	Confident	89.5	Confident	86 Å²	86	64.1 Å²	64.1	89%	0.887	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.1	-178	0	0	0	0	0	114.6	C198	C198-G200 PolarHBondContact O-N 2.83Å
201	Q	91.5	Very high	90.2	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.57	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	155.1	171.1	-64	-175.2	-17.7	0	0	110.1	L175 A197 C198 H199	L175-Q201 HydrophobicContact CD1-CB 3.93Å; L175-Q201 WeakPolarHBondContact CD1-O 3.17Å; A197-Q201 WeakPolarHBondContact CA-O 3.49Å; C198-Q201 PolarHBondContact N-O 2.84Å; C198-Q201 PolarHBondContact O-N 2.83Å; C198-Q201 VanDerWaalsContact O-O 3.13Å; H199-Q201 PolarHBondContact O-N 3.35Å
202	T	91.7	Very high	91	Very high	79 Å²	79	63.9 Å²	63.9	49%	0.485	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.4	176.4	-63.1	0	0	0	0	108.6	L186 K195 G196	L186-T202 HydrophobicContact CD1-CG2 3.63Å; K195-T202 HydrophobicContact CG-CG2 4.33Å; G196-T202 VanDerWaalsContact O-CA 3.28Å; G196-T202 WeakPolarHBondContact O-CA 2.98Å; G196-T202 WeakPolarHBondContact O-CG2 3.49Å
203	G	93.9	Very high	91.2	Very high	4 Å²	4	61.3 Å²	61.3	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-176.7	-179.7	0	0	0	0	0	112.6	G173 K195 G196	G173-G203 CarbonylContact O-C 3.52Å; G173-G203 WeakPolarHBondContact O-CA 3.27Å; K195-G203 WeakPolarHBondContact CA-O 3.47Å; G196-G203 PolarHBondContact N-O 3.03Å; G196-G203 PolarHBondContact O-N 2.92Å
204	M	94.4	Very high	90	Very high	69 Å²	69	63 Å²	63	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.9	178.9	-59.6	-59.4	-69.3	0	0	110.8	G173 E174 L175 W193 W194 K195	G173-M204 PolarHBondContact O-N 2.83Å; E174-M204 CarbonylContact C-O 3.54Å; E174-M204 WeakPolarHBondContact CA-O 3.47Å; L175-M204 PolarHBondContact N-O 3.2Å; W193-M204 HydrophobicContact CB-CE 3.9Å; W193-M204 HydrophobicContact CE3-CB 3.77Å; W193-M204 HydrophobicContact CZ3-CB 4.08Å; W193-M204 WeakPolarHBondContact O-CE 3.21Å; W194-M204 CarbonylContact O-C 3.59Å; W194-M204 VanDerWaalsContact O-CA 3.31Å; W194-M204 WeakPolarHBondContact O-CA 3.45Å; K195-M204 HydrophobicContact CB-SD 3.76Å; K195-M204 HydrophobicContact CD-SD 4.49Å; K195-M204 HydrophobicContact CG-SD 4.05Å
205	F	95.3	Very high	88.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.2	173.6	67.8	-84.6	0	0	0	111.7	V161 L175 F177 I183 V185 W193 W194 V210	V161-F205 HydrophobicContact CG2-CE2 4.17Å; V161-F205 HydrophobicContact CG2-CZ 4.03Å; L175-F205 HydrophobicContact CD2-CD1 4.1Å; F177-F205 HydrophobicContact CD1-CB 4.4Å; F177-F205 HydrophobicContact CE1-CB 3.4Å; F177-F205 VanDerWaalsContact CE1-CB 3.4Å; F177-F205 HydrophobicContact CE1-CD2 4.36Å; F177-F205 HydrophobicContact CE1-CG 4.05Å; F177-F205 HydrophobicContact CZ-CB 4Å; F177-F205 HydrophobicContact CZ-CD2 4.39Å; I183-F205 HydrophobicContact CD1-CD2 4.5Å; I183-F205 HydrophobicContact CG2-CD1 4.24Å; I183-F205 HydrophobicContact CG2-CE1 3.75Å; I183-F205 HydrophobicContact CG2-CZ 4.03Å; V185-F205 HydrophobicContact CG2-CZ 4.41Å; W193-F205 VanDerWaalsContact CE3-C 3.49Å; W194-F205 HydrophobicContact CB-CD1 4.43Å; W194-F205 HydrophobicContact CB-CE1 3.82Å; W194-F205 HydrophobicContact CB-CE2 4.08Å; W194-F205 HydrophobicContact CB-CZ 3.64Å; W194-F205 HydrophobicContact CE3-CE2 4.34Å; W194-F205 HydrophobicContact CE3-CZ 4.16Å; W194-F205 PolarHBondContact N-O 2.81Å; W194-F205 VanDerWaalsContact O-CD1 3.27Å; W194-F205 WeakPolarHBondContact O-CD1 3.42Å; W194-F205 PolarHBondContact O-N 3.2Å; F205-V210 HydrophobicContact CD2-CG1 3.82Å; F205-V210 HydrophobicContact CE2-CB 4.3Å; F205-V210 HydrophobicContact CE2-CG1 3.55Å; F205-V210 HydrophobicContact CE2-CG2 3.76Å
206	P	93.7	Very high	86	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.065	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.8	-177.8	31.1	-36.8	0	0	0	111.4	F167 N192 N208 Y209	F167-P206 HydrophobicContact CD2-CG 3.89Å; F167-P206 HydrophobicContact CE2-CG 3.76Å; F167-P206 HydrophobicContact CZ-CG 4.36Å; N192-P206 CarbonylContact O-C 3.48Å; N192-P206 WeakPolarHBondContact O-CA 3.22Å; P206-N208 VanDerWaalsContact C-N 3.25Å; P206-N208 WeakPolarHBondContact CB-OD1 3.41Å; P206-N208 PolarHBondContact O-N 3.27Å; P206-Y209 HydrophobicContact CB-CD2 3.99Å; P206-Y209 HydrophobicContact CB-CE2 4.48Å; P206-Y209 HydrophobicContact CG-CD1 4.4Å; P206-Y209 HydrophobicContact CG-CD2 3.41Å; P206-Y209 VanDerWaalsContact CG-CD2 3.41Å; P206-Y209 HydrophobicContact CG-CE2 3.9Å; P206-Y209 HydrophobicContact CG-CG 3.71Å; P206-Y209 WeakPolarHBondContact O-CB 3.17Å; P206-Y209 PolarHBondContact O-N 3.35Å
207	R	90.9	Very high	83.3	Confident	127 Å²	127	81.2 Å²	81.2	48%	0.479	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-56.8	-35.5	-177.4	176.7	-170.6	175	-162.7	-1.2	113.1	P191 N192 W194 Y209 V210	P191-R207 WeakPolarHBondContact O-CD 3.45Å; P191-R207 PolarHBondContact O-NH1 3.09Å; N192-R207 WeakPolarHBondContact O-CB 3.29Å; N192-R207 PolarHBondContact O-N 2.69Å; W194-R207 HydrophobicContact CD2-CB 4.14Å; W194-R207 HydrophobicContact CD2-CG 4.07Å; W194-R207 HydrophobicContact CE3-CG 4.41Å; W194-R207 HydrophobicContact CG-CB 4.39Å; W194-R207 HydrophobicContact CH2-CG 3.91Å; W194-R207 HydrophobicContact CZ2-CB 4.38Å; W194-R207 HydrophobicContact CZ2-CG 3.52Å; W194-R207 HydrophobicContact CZ3-CG 4.34Å; R207-Y209 PolarHBondContact O-N 2.8Å; R207-V210 WeakPolarHBondContact O-CG2 3.18Å; R207-V210 PolarHBondContact O-N 2.93Å
208	N	92.3	Very high	82.8	Confident	115 Å²	115	84.2 Å²	84.2	62%	0.615	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-70.9	-6.9	-179.1	62.6	-29.7	0	0	0	113.6	P206 V210	P206-N208 VanDerWaalsContact C-N 3.25Å; P206-N208 WeakPolarHBondContact CB-OD1 3.41Å; P206-N208 PolarHBondContact O-N 3.27Å; N208-V210 VanDerWaalsContact C-N 3.32Å
209	Y	94.1	Very high	82.2	Confident	77 Å²	77	88.2 Å²	88.2	30%	0.302	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-89.2	-1	175.5	-81.3	-123.4	0	0	0	112.9	A163 L164 F165 D166 F167 P206 R207	A163-Y209 CarbonylContact C-O 3.47Å; L164-Y209 PolarHBondContact N-O 3.29Å; F165-Y209 HydrophobicContact CB-CD1 3.78Å; F165-Y209 HydrophobicContact CB-CE1 4.04Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.3Å; D166-Y209 WeakPolarHBondContact O-CE1 3.22Å; F167-Y209 HydrophobicContact CB-CD1 4.03Å; F167-Y209 HydrophobicContact CB-CE1 4.37Å; F167-Y209 HydrophobicContact CD2-CD1 4.13Å; F167-Y209 AromaticContact CD2-CE1 3.99Å; F167-Y209 HydrophobicContact CD2-CE1 3.99Å; F167-Y209 HydrophobicContact CG-CD1 4.49Å; P206-Y209 HydrophobicContact CB-CD2 3.99Å; P206-Y209 HydrophobicContact CB-CE2 4.48Å; P206-Y209 HydrophobicContact CG-CD1 4.4Å; P206-Y209 HydrophobicContact CG-CD2 3.41Å; P206-Y209 VanDerWaalsContact CG-CD2 3.41Å; P206-Y209 HydrophobicContact CG-CE2 3.9Å; P206-Y209 HydrophobicContact CG-CG 3.71Å; P206-Y209 WeakPolarHBondContact O-CB 3.17Å; P206-Y209 PolarHBondContact O-N 3.35Å; R207-Y209 PolarHBondContact O-N 2.8Å
210	V	94.4	Very high	81.8	Confident	14 Å²	14	85.3 Å²	85.3	9%	0.085	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.9	-174.8	-56.8	0	0	0	0	112.2	V161 Q162 I183 W194 F205 R207 N208	V161-V210 HydrophobicContact CB-CB 3.82Å; V161-V210 HydrophobicContact CB-CG1 4.46Å; V161-V210 HydrophobicContact CB-CG2 3.87Å; V161-V210 HydrophobicContact CG1-CG2 4.18Å; V161-V210 HydrophobicContact CG2-CB 3.73Å; V161-V210 HydrophobicContact CG2-CG1 3.83Å; V161-V210 HydrophobicContact CG2-CG2 3.8Å; Q162-V210 CarbonylContact O-C 3.5Å; Q162-V210 VanDerWaalsContact O-CA 3.23Å; Q162-V210 WeakPolarHBondContact O-CA 3.37Å; I183-V210 HydrophobicContact CD1-CG1 3.81Å; W194-V210 HydrophobicContact CZ3-CG2 4.48Å; F205-V210 HydrophobicContact CD2-CG1 3.82Å; F205-V210 HydrophobicContact CE2-CB 4.3Å; F205-V210 HydrophobicContact CE2-CG1 3.55Å; F205-V210 HydrophobicContact CE2-CG2 3.76Å; R207-V210 WeakPolarHBondContact O-CG2 3.18Å; R207-V210 PolarHBondContact O-N 2.93Å; N208-V210 VanDerWaalsContact C-N 3.32Å
211	T	90.8	Very high	81.5	Confident	52 Å²	52	85.3 Å²	85.3	32%	0.319	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.1	169.9	-176.5	0	0	0	0	110.4	V161 Q162 L164 V213	V161-T211 CarbonylContact C-O 3.6Å; V161-T211 WeakPolarHBondContact CA-O 3.34Å; V161-T211 WeakPolarHBondContact CB-O 3.32Å; Q162-T211 HydrophobicContact CB-CG2 4.07Å; Q162-T211 PolarHBondContact N-O 2.96Å; Q162-T211 PolarHBondContact O-N 3.28Å; L164-T211 HydrophobicContact CD2-CG2 3.74Å; L164-T211 HydrophobicContact CG-CG2 4.2Å; T211-V213 PolarHBondContact O-N 2.85Å
212	P	85.6	Confident	80.9	Confident	90 Å²	90	83 Å²	83	58%	0.584	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	138.2	171	-22.8	33.2	0	0	0	111.5	N214	P212-N214 PolarHBondContact O-N 2.91Å
213	V	85.1	Confident	80.2	Confident	53 Å²	53	83.3 Å²	83.3	32%	0.321	42%	0.42	S	S	.	.			trans	-89.8	102.4	170.2	-177.5	0	0	0	0	107.9	Y160 Q162 F182 T211 R215	Y160-V213 WeakPolarHBondContact O-CB 3.18Å; Y160-V213 PolarHBondContact O-N 2.96Å; Q162-V213 HydrophobicContact CB-CG2 3.9Å; F182-V213 HydrophobicContact CD1-CG2 3.77Å; F182-V213 HydrophobicContact CE1-CG1 4.16Å; F182-V213 HydrophobicContact CE1-CG2 3.65Å; T211-V213 PolarHBondContact O-N 2.85Å; V213-R215 PolarHBondContact O-N 2.86Å; V213-R215 VanDerWaalsContact O-N 3.13Å
214	N	63.2	Low	79.2	Confident	130 Å²	130	88.9 Å²	88.9	70%	0.695	45%	0.447	S	S	*	.			trans	-69.1	110.3	171	-71.7	-20	0	0	0	108.3	P212 N216	P212-N214 PolarHBondContact O-N 2.91Å; N214-N216 PolarHBondContact O-N 2.73Å
215	R	54	Low	78	Confident	141 Å²	141	90.5 Å²	90.5	53%	0.532	46%	0.455	S	S	.	.			trans	-68.7	89.5	164.1	-77.8	-175	177.2	-177.7	-3	107.7	V213 I217	V213-R215 PolarHBondContact O-N 2.86Å; V213-R215 VanDerWaalsContact O-N 3.13Å; R215-I217 VanDerWaalsContact C-N 3.27Å; R215-I217 HydrophobicContact CB-CG1 4.4Å; R215-I217 PolarHBondContact O-N 2.78Å
216	N	38.3	Very low	76.6	Confident	155 Å²	155	98 Å²	98	83%	0.829	49%	0.493	S	S	*	.			trans	-69.1	95.4	158.3	-68.9	-22.1	0	0	0	106.2	N214	N214-N216 PolarHBondContact O-N 2.73Å
217	I	36.4	Very low	75	Confident	212 Å²	212	106 Å²	106	100%	1.087	53%	0.532	S	S	*	.			trans	-100.5	0	159.3	-57.8	176	0	0	0	106.1	R215	R215-I217 VanDerWaalsContact C-N 3.27Å; R215-I217 HydrophobicContact CB-CG1 4.4Å; R215-I217 PolarHBondContact O-N 2.78Å

Retrieved 217 of 217 residues in 1555.3 ms (Link to these results)

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