A0A077Z143_TRITR Loading...

Cystatin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z143, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077Z143_TRITR|A0A077Z143
MDPASEEAKEVAHKSLADRNTKSNSAYHDMLIKIVEASSQVVSGMNYKLIAYIGPSKCAKKDVKPEDVHSKCQLNDGNSAEKCTIKVYEQPWTNTFEVTEFSCKPATRREALKA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	93.5	Very high	97.3	Very high	55 Å²	55	61.8 Å²	61.8	27%	0.271	33%	0.33	S	S	.	.				0	139.3	0	-177.9	163.1	66.8	0	0	108.2	E7 A8 A37 Y47 L49	M1-E7 HydrophobicContact SD-CB 4.22Å; M1-E7 HydrophobicContact SD-CG 3.84Å; M1-A8 HydrophobicContact CE-CB 4.04Å; M1-A8 HydrophobicContact CG-CB 4.22Å; M1-A8 HydrophobicContact SD-CB 4.11Å; M1-A37 HydrophobicContact CB-CB 4.38Å; M1-A37 HydrophobicContact CE-CB 3.83Å; M1-A37 HydrophobicContact CG-CB 4.3Å; M1-Y47 HydrophobicContact CE-CD1 3.7Å; M1-Y47 HydrophobicContact CE-CE1 4.47Å; M1-Y47 HydrophobicContact CE-CG 4.45Å; M1-Y47 HydrophobicContact SD-CD1 3.92Å; M1-Y47 HydrophobicContact SD-CE1 4.11Å; M1-L49 HydrophobicContact CE-CD2 3.51Å
2	D	95.9	Very high	97.4	Very high	99 Å²	99	56.7 Å²	56.7	53%	0.529	30%	0.303	S	S	.	.			trans	-80.4	127.9	175.3	179.1	-10	0	0	0	109.4	A4 S5 A8	D2-A4 PolarHBondContact O-N 2.89Å; D2-A4 VanDerWaalsContact O-N 3.15Å; D2-A4 PolarHBondContact OD1-N 2.83Å; D2-S5 VanDerWaalsContact O-CB 3.29Å; D2-S5 WeakPolarHBondContact O-CB 3.47Å; D2-S5 PolarHBondContact O-N 3.03Å; D2-S5 PolarHBondContact O-OG 2.85Å; D2-A8 WeakPolarHBondContact O-CB 3.35Å
3	P	97.5	Very high	97.5	Very high	42 Å²	42	55.1 Å²	55.1	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26	174.4	-26.1	34.7	0	0	0	115.2	I34 A37	P3-I34 HydrophobicContact CB-CB 4.33Å; P3-I34 HydrophobicContact CB-CG2 3.96Å; P3-A37 HydrophobicContact CB-CB 4.19Å; P3-A37 HydrophobicContact CG-CB 3.98Å
4	A	96.2	Very high	97.6	Very high	67 Å²	67	56.8 Å²	56.8	55%	0.554	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.7	179	0	0	0	0	0	113.8	D2	D2-A4 PolarHBondContact O-N 2.89Å; D2-A4 VanDerWaalsContact O-N 3.15Å; D2-A4 PolarHBondContact OD1-N 2.83Å
5	S	98.2	Very high	97.7	Very high	31 Å²	31	53 Å²	53	22%	0.217	28%	0.276	C	S	.	.	S	Bend	trans	-65.7	152.2	-179.6	64.8	0	0	0	0	112.6	D2 E7 A8 K9	D2-S5 VanDerWaalsContact O-CB 3.29Å; D2-S5 WeakPolarHBondContact O-CB 3.47Å; D2-S5 PolarHBondContact O-N 3.03Å; D2-S5 PolarHBondContact O-OG 2.85Å; S5-E7 PolarHBondContact O-N 3.14Å; S5-A8 PolarHBondContact O-N 2.64Å; S5-A8 WeakPolarHBondContact OG-CB 3.35Å; S5-A8 PolarHBondContact OG-N 2.82Å; S5-K9 PolarHBondContact O-N 2.93Å
6	E	97.5	Very high	97.7	Very high	129 Å²	129	50.1 Å²	50.1	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-32.8	173.9	-71.6	-50.5	144.4	0	0	112.5	A8 K9 E10	E6-A8 PolarHBondContact O-N 2.94Å; E6-K9 PolarHBondContact O-N 2.74Å; E6-K9 IonicContact OE1-NZ 2.69Å; E6-K9 PolarHBondContact OE1-NZ 2.97Å; E6-K9 IonicContact OE2-NZ 2.74Å; E6-E10 WeakPolarHBondContact O-CB 3.45Å; E6-E10 PolarHBondContact O-N 3.48Å
7	E	97.6	Very high	97.8	Very high	84 Å²	84	48 Å²	48	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-46.8	173.7	-172.3	-178.2	-170.6	0	0	111.5	M1 S5 K9 E10 V11 Y47	M1-E7 HydrophobicContact SD-CB 4.22Å; M1-E7 HydrophobicContact SD-CG 3.84Å; S5-E7 PolarHBondContact O-N 3.14Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 3.21Å; E7-E10 PolarHBondContact O-N 3.03Å; E7-V11 WeakPolarHBondContact O-CG2 3.29Å; E7-V11 PolarHBondContact O-N 2.87Å; E7-Y47 HydrophobicContact CG-CE1 4.36Å; E7-Y47 WeakPolarHBondContact OE1-CE1 3.25Å; E7-Y47 PolarHBondContact OE1-OH 3.15Å
8	A	98.6	Very high	97.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-40.2	177.3	0	0	0	0	0	112.2	M1 D2 S5 E6 A12 I34 A37	M1-A8 HydrophobicContact CE-CB 4.04Å; M1-A8 HydrophobicContact CG-CB 4.22Å; M1-A8 HydrophobicContact SD-CB 4.11Å; D2-A8 WeakPolarHBondContact O-CB 3.35Å; S5-A8 PolarHBondContact O-N 2.64Å; S5-A8 WeakPolarHBondContact OG-CB 3.35Å; S5-A8 PolarHBondContact OG-N 2.82Å; E6-A8 PolarHBondContact O-N 2.94Å; A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3Å; A8-I34 HydrophobicContact CB-CD1 4Å; A8-I34 WeakPolarHBondContact O-CD1 3.49Å; A8-A37 HydrophobicContact CB-CB 4.14Å
9	K	98.4	Very high	97.8	Very high	66 Å²	66	48.2 Å²	48.2	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-65.4	-45	175.7	-66.5	178.9	-160.3	162.2	0	111.3	S5 E6 E7 V11 A12 H13 I34	S5-K9 PolarHBondContact O-N 2.93Å; E6-K9 PolarHBondContact O-N 2.74Å; E6-K9 IonicContact OE1-NZ 2.69Å; E6-K9 PolarHBondContact OE1-NZ 2.97Å; E6-K9 IonicContact OE2-NZ 2.74Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 3.21Å; K9-V11 PolarHBondContact O-N 3.26Å; K9-A12 WeakPolarHBondContact O-CB 3.28Å; K9-A12 PolarHBondContact O-N 2.76Å; K9-H13 WeakPolarHBondContact O-CB 3.41Å; K9-H13 PolarHBondContact O-CD2 3.4Å; K9-H13 VanDerWaalsContact O-CG 3.23Å; K9-H13 PolarHBondContact O-N 3.49Å; K9-I34 HydrophobicContact CG-CD1 4.43Å
10	E	98.2	Very high	97.9	Very high	103 Å²	103	46 Å²	46	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-49	178.9	-173.8	179.2	170.2	0	0	111.4	E6 E7 A12 H13 K14	E6-E10 WeakPolarHBondContact O-CB 3.45Å; E6-E10 PolarHBondContact O-N 3.48Å; E7-E10 PolarHBondContact O-N 3.03Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 2.83Å; E10-H13 PolarHBondContact O-N 3.17Å; E10-K14 HydrophobicContact CG-CD 4.13Å; E10-K14 WeakPolarHBondContact O-CB 3.39Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.32Å; E10-K14 WeakPolarHBondContact OE1-CE 3.32Å; E10-K14 IonicContact OE1-NZ 3.64Å; E10-K14 PolarHBondContact OE1-NZ 2.81Å
11	V	98.7	Very high	97.8	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-42.9	175.6	175.2	0	0	0	0	110.7	E7 K9 S15 Y47 L49 V87 F96	E7-V11 WeakPolarHBondContact O-CG2 3.29Å; E7-V11 PolarHBondContact O-N 2.87Å; K9-V11 PolarHBondContact O-N 3.26Å; V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.32Å; V11-S15 PolarHBondContact O-OG 2.82Å; V11-Y47 HydrophobicContact CG1-CD2 4.14Å; V11-Y47 HydrophobicContact CG1-CG 4.15Å; V11-Y47 HydrophobicContact CG2-CD1 4.25Å; V11-Y47 HydrophobicContact CG2-CD2 3.86Å; V11-Y47 HydrophobicContact CG2-CE1 4.28Å; V11-Y47 HydrophobicContact CG2-CE2 3.86Å; V11-Y47 HydrophobicContact CG2-CG 4.03Å; V11-L49 HydrophobicContact CB-CD1 4.26Å; V11-L49 HydrophobicContact CG1-CD1 3.89Å; V11-L49 HydrophobicContact CG1-CG 4.46Å; V11-V87 HydrophobicContact CG1-CB 4.13Å; V11-V87 HydrophobicContact CG1-CG1 4.45Å; V11-V87 HydrophobicContact CG1-CG2 3.8Å; V11-F96 HydrophobicContact CG1-CZ 4.38Å
12	A	98.8	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-44	177.1	0	0	0	0	0	112.5	A8 K9 E10 S15 L16 L31 I34 L49	A8-A12 WeakPolarHBondContact O-CB 3.37Å; A8-A12 PolarHBondContact O-N 3Å; K9-A12 WeakPolarHBondContact O-CB 3.28Å; K9-A12 PolarHBondContact O-N 2.76Å; E10-A12 VanDerWaalsContact C-N 3.31Å; E10-A12 PolarHBondContact O-N 2.83Å; A12-S15 PolarHBondContact O-N 3.07Å; A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 WeakPolarHBondContact O-CG 3.39Å; A12-L16 PolarHBondContact O-N 3.05Å; A12-L31 HydrophobicContact CB-CD1 4.31Å; A12-L31 HydrophobicContact CB-CD2 4.05Å; A12-I34 HydrophobicContact CB-CD1 3.87Å; A12-I34 HydrophobicContact CB-CG1 4.39Å; A12-L49 HydrophobicContact CB-CD1 3.81Å
13	H	98.7	Very high	97.9	Very high	36 Å²	36	49.6 Å²	49.6	17%	0.167	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-45	-179.6	-66.8	-41.6	0	0	0	112.2	K9 E10 S15 L16 A17 H69	K9-H13 WeakPolarHBondContact O-CB 3.41Å; K9-H13 PolarHBondContact O-CD2 3.4Å; K9-H13 VanDerWaalsContact O-CG 3.23Å; K9-H13 PolarHBondContact O-N 3.49Å; E10-H13 PolarHBondContact O-N 3.17Å; H13-S15 VanDerWaalsContact C-N 3.33Å; H13-S15 PolarHBondContact O-N 3.03Å; H13-L16 PolarHBondContact O-N 2.81Å; H13-A17 PolarHBondContact O-N 2.67Å; H13-H69 AromaticContact CD2-CD2 3.46Å; H13-H69 PolarHBondContact CD2-CD2 2.79Å; H13-H69 VanDerWaalsContact CD2-CD2 3.46Å; H13-H69 AromaticContact CD2-CG 3.67Å; H13-H69 AromaticContact CD2-NE2 3.93Å; H13-H69 AromaticContact CE1-CD2 3.67Å; H13-H69 AromaticContact CE1-CE1 3.53Å; H13-H69 AromaticContact CE1-CG 3.18Å; H13-H69 AromaticContact CE1-ND1 3.1Å; H13-H69 PolarHBondContact CE1-ND1 3.01Å; H13-H69 AromaticContact CE1-NE2 3.89Å; H13-H69 AromaticContact CG-CG 3.83Å; H13-H69 AromaticContact ND1-CG 3.53Å; H13-H69 AromaticContact ND1-ND1 3.84Å; H13-H69 AromaticContact NE2-CD2 3.24Å; H13-H69 PolarHBondContact NE2-CD2 3.39Å; H13-H69 AromaticContact NE2-CE1 3.34Å; H13-H69 PolarHBondContact NE2-CE1 2.99Å; H13-H69 VanDerWaalsContact NE2-CE1 3.34Å; H13-H69 AromaticContact NE2-CG 3.29Å; H13-H69 VanDerWaalsContact NE2-CG 3.29Å; H13-H69 AromaticContact NE2-ND1 3.36Å; H13-H69 PolarHBondContact NE2-ND1 3.47Å; H13-H69 AromaticContact NE2-NE2 3.3Å; H13-H69 PolarHBondContact NE2-NE2 3.3Å
14	K	98.5	Very high	97.8	Very high	79 Å²	79	55.8 Å²	55.8	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-42.8	173.3	-74.3	174.9	170.3	168.9	0	111.5	E10 L16 A17 D18 E89 F96	E10-K14 HydrophobicContact CG-CD 4.13Å; E10-K14 WeakPolarHBondContact O-CB 3.39Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.32Å; E10-K14 WeakPolarHBondContact OE1-CE 3.32Å; E10-K14 IonicContact OE1-NZ 3.64Å; E10-K14 PolarHBondContact OE1-NZ 2.81Å; K14-L16 VanDerWaalsContact C-N 3.35Å; K14-L16 PolarHBondContact O-N 3.22Å; K14-A17 PolarHBondContact O-N 2.84Å; K14-D18 PolarHBondContact O-N 3.33Å; K14-E89 IonicContact NZ-OE1 2.71Å; K14-F96 HydrophobicContact CB-CD1 4.33Å; K14-F96 HydrophobicContact CB-CE1 3.64Å; K14-F96 HydrophobicContact CB-CE2 3.88Å; K14-F96 HydrophobicContact CB-CZ 3.37Å; K14-F96 HydrophobicContact CD-CD2 3.87Å; K14-F96 HydrophobicContact CD-CE2 3.64Å; K14-F96 HydrophobicContact CD-CG 4.47Å; K14-F96 HydrophobicContact CD-CZ 4.08Å; K14-F96 HydrophobicContact CG-CE2 4.43Å; K14-F96 HydrophobicContact CG-CZ 4.38Å
15	S	98.8	Very high	97.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-38.3	176.8	-56.5	0	0	0	0	112.7	V11 A12 H13 D18 R19 V87 F101	V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.37Å; V11-S15 PolarHBondContact O-N 3.32Å; V11-S15 PolarHBondContact O-OG 2.82Å; A12-S15 PolarHBondContact O-N 3.07Å; H13-S15 VanDerWaalsContact C-N 3.33Å; H13-S15 PolarHBondContact O-N 3.03Å; S15-D18 PolarHBondContact O-N 3.2Å; S15-R19 PolarHBondContact O-N 3.29Å; S15-V87 VanDerWaalsContact OG-CG2 3.25Å; S15-V87 WeakPolarHBondContact OG-CG2 3.49Å; S15-F101 WeakPolarHBondContact O-CE2 3.38Å
16	L	98.8	Very high	97.7	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-68.7	-36.7	174.7	-85.3	167.2	0	0	0	112.3	A12 H13 K14 D18 R19 N20 D29 L31 I53 F101	A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 WeakPolarHBondContact O-CG 3.39Å; A12-L16 PolarHBondContact O-N 3.05Å; H13-L16 PolarHBondContact O-N 2.81Å; K14-L16 VanDerWaalsContact C-N 3.35Å; K14-L16 PolarHBondContact O-N 3.22Å; L16-D18 VanDerWaalsContact C-N 3.35Å; L16-R19 PolarHBondContact O-N 2.87Å; L16-N20 WeakPolarHBondContact O-CB 3.22Å; L16-N20 VanDerWaalsContact O-CG 3.26Å; L16-N20 PolarHBondContact O-N 2.83Å; L16-N20 PolarHBondContact O-ND2 2.97Å; L16-D29 HydrophobicContact CD2-CB 4.12Å; L16-L31 HydrophobicContact CD1-CB 3.7Å; L16-L31 VanDerWaalsContact CD1-N 3.34Å; L16-I53 HydrophobicContact CD1-CG2 4.37Å; L16-I53 HydrophobicContact CD2-CB 4.34Å; L16-I53 HydrophobicContact CD2-CD1 4.23Å; L16-I53 HydrophobicContact CD2-CG2 3.91Å; L16-F101 HydrophobicContact CD2-CZ 4.11Å
17	A	98.6	Very high	97.7	Very high	15 Å²	15	56.2 Å²	56.2	12%	0.124	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-43.2	173.6	0	0	0	0	0	111.4	H13 K14 N20 T21 P65	H13-A17 PolarHBondContact O-N 2.67Å; K14-A17 PolarHBondContact O-N 2.84Å; A17-N20 PolarHBondContact O-N 2.98Å; A17-T21 WeakPolarHBondContact O-CB 3.44Å; A17-T21 PolarHBondContact O-N 3.3Å; A17-T21 PolarHBondContact O-OG1 2.89Å; A17-P65 HydrophobicContact CB-CB 4Å; A17-P65 WeakPolarHBondContact O-CB 3.36Å
18	D	98.4	Very high	97.8	Very high	49 Å²	49	52.3 Å²	52.3	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-50.9	173.1	177.3	80.2	0	0	0	111.8	K14 S15 L16 N20 T21 K22 V98	K14-D18 PolarHBondContact O-N 3.33Å; S15-D18 PolarHBondContact O-N 3.2Å; L16-D18 VanDerWaalsContact C-N 3.35Å; D18-N20 VanDerWaalsContact C-N 3.35Å; D18-N20 PolarHBondContact O-N 3.3Å; D18-T21 WeakPolarHBondContact O-CB 3.39Å; D18-T21 PolarHBondContact O-N 3.27Å; D18-K22 WeakPolarHBondContact O-CG 3.32Å; D18-K22 PolarHBondContact O-N 3.42Å; D18-K22 VanDerWaalsContact O-N 3.14Å; D18-K22 WeakPolarHBondContact OD1-CE 3.33Å; D18-K22 IonicContact OD1-NZ 2.79Å; D18-K22 PolarHBondContact OD1-NZ 3.01Å; D18-K22 WeakPolarHBondContact OD2-CE 3.4Å; D18-K22 IonicContact OD2-NZ 3.87Å; D18-K22 PolarHBondContact OD2-NZ 3.4Å; D18-V98 HydrophobicContact CB-CG2 3.91Å
19	R	98.1	Very high	97.7	Very high	51 Å²	51	53 Å²	53	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-45.4	175.4	174	177.6	172.7	111.8	-7.6	112.3	S15 L16 T21 K22 S23 D29 E81 F101 C103	S15-R19 PolarHBondContact O-N 3.29Å; L16-R19 PolarHBondContact O-N 2.87Å; R19-T21 PolarHBondContact O-N 3.26Å; R19-K22 CarbonylContact O-C 3.6Å; R19-K22 PolarHBondContact O-N 2.93Å; R19-K22 VanDerWaalsContact O-N 3.11Å; R19-S23 VanDerWaalsContact O-CB 3.25Å; R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 2.82Å; R19-D29 IonicContact CZ-OD2 3.56Å; R19-D29 IonicContact NE-OD2 2.86Å; R19-D29 PolarHBondContact NE-OD2 2.77Å; R19-D29 IonicContact NH2-OD2 3.88Å; R19-D29 PolarHBondContact NH2-OD2 3.19Å; R19-E81 IonicContact CZ-OE2 3.51Å; R19-E81 IonicContact NH2-OE2 3.24Å; R19-E81 PolarHBondContact NH2-OE2 2.76Å; R19-F101 HydrophobicContact CB-CD2 4.04Å; R19-F101 HydrophobicContact CB-CE2 3.82Å; R19-F101 HydrophobicContact CB-CZ 4.22Å; R19-F101 HydrophobicContact CG-CE2 4.46Å; R19-F101 HydrophobicContact CG-CZ 4.42Å; R19-C103 PolarHBondContact NH1-SG 3.36Å
20	N	98.3	Very high	97.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-29.3	-179.5	-82	-30.9	0	0	0	112.3	L16 A17 D18 H28 D29 K60 P65	L16-N20 WeakPolarHBondContact O-CB 3.22Å; L16-N20 VanDerWaalsContact O-CG 3.26Å; L16-N20 PolarHBondContact O-N 2.83Å; L16-N20 PolarHBondContact O-ND2 2.97Å; A17-N20 PolarHBondContact O-N 2.98Å; D18-N20 VanDerWaalsContact C-N 3.35Å; D18-N20 PolarHBondContact O-N 3.3Å; N20-H28 WeakPolarHBondContact CB-ND1 3.47Å; N20-D29 PolarHBondContact ND2-O 2.78Å; N20-D29 PolarHBondContact OD1-N 3.22Å; N20-K60 WeakPolarHBondContact O-CE 3.48Å; N20-K60 PolarHBondContact O-NZ 2.77Å; N20-P65 HydrophobicContact CB-CB 4.03Å; N20-P65 HydrophobicContact CB-CG 4.46Å
21	T	97.4	Very high	97.7	Very high	103 Å²	103	47.4 Å²	47.4	63%	0.632	25%	0.252	S	S	*	.	H	α-helix	trans	-69.9	-37.5	172.7	-56.8	0	0	0	0	111.4	A17 D18 R19 P65	A17-T21 WeakPolarHBondContact O-CB 3.44Å; A17-T21 PolarHBondContact O-N 3.3Å; A17-T21 PolarHBondContact O-OG1 2.89Å; D18-T21 WeakPolarHBondContact O-CB 3.39Å; D18-T21 PolarHBondContact O-N 3.27Å; R19-T21 PolarHBondContact O-N 3.26Å; T21-P65 WeakPolarHBondContact OG1-CG 3.41Å
22	K	96.5	Very high	97.7	Very high	137 Å²	137	48.6 Å²	48.6	60%	0.596	26%	0.258	S	S	*	.	H	α-helix	trans	-86.5	-22.8	-176.7	-66.2	169.9	-177.9	166.6	0	114.6	D18 R19	D18-K22 WeakPolarHBondContact O-CG 3.32Å; D18-K22 PolarHBondContact O-N 3.42Å; D18-K22 VanDerWaalsContact O-N 3.14Å; D18-K22 WeakPolarHBondContact OD1-CE 3.33Å; D18-K22 IonicContact OD1-NZ 2.79Å; D18-K22 PolarHBondContact OD1-NZ 3.01Å; D18-K22 WeakPolarHBondContact OD2-CE 3.4Å; D18-K22 IonicContact OD2-NZ 3.87Å; D18-K22 PolarHBondContact OD2-NZ 3.4Å; R19-K22 CarbonylContact O-C 3.6Å; R19-K22 PolarHBondContact O-N 2.93Å; R19-K22 VanDerWaalsContact O-N 3.11Å
23	S	95.2	Very high	97.6	Very high	37 Å²	37	52.4 Å²	52.4	26%	0.259	28%	0.275	S	S	.	.			trans	-76.1	142.6	-176.5	160.3	0	0	0	0	112.1	R19 S25 K60	R19-S23 VanDerWaalsContact O-CB 3.25Å; R19-S23 WeakPolarHBondContact O-CB 3.36Å; R19-S23 PolarHBondContact O-N 2.82Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 WeakPolarHBondContact OG-CB 3.29Å; S23-S25 PolarHBondContact OG-N 3.5Å; S23-K60 VanDerWaalsContact C-NZ 3.33Å; S23-K60 VanDerWaalsContact CB-NZ 3.34Å; S23-K60 PolarHBondContact O-NZ 2.78Å; S23-K60 PolarHBondContact OG-NZ 2.91Å
24	N	95	Very high	97.6	Very high	171 Å²	171	51.5 Å²	51.5	91%	0.914	27%	0.271	S	S	*	.			trans	-88.2	5.2	175.1	-68.1	-33.8	0	0	0	113.9
25	S	95.4	Very high	97.6	Very high	51 Å²	51	49.4 Å²	49.4	36%	0.357	26%	0.264	S	S	.	.			trans	-63.1	143.9	176.1	178	0	0	0	0	111.5	S23 Y27 K60	S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 WeakPolarHBondContact OG-CB 3.29Å; S23-S25 PolarHBondContact OG-N 3.5Å; S25-Y27 WeakPolarHBondContact CB-O 3.47Å; S25-Y27 PolarHBondContact O-N 2.87Å; S25-Y27 PolarHBondContact OG-N 3.25Å; S25-Y27 PolarHBondContact OG-O 3.2Å; S25-K60 WeakPolarHBondContact O-CD 3.2Å; S25-K60 WeakPolarHBondContact O-CE 3.47Å; S25-K60 PolarHBondContact O-NZ 2.87Å
26	A	96.3	Very high	97.6	Very high	68 Å²	68	54.7 Å²	54.7	56%	0.562	29%	0.289	S	S	*	.	S	Bend	trans	-68.9	-22.3	173.5	0	0	0	0	0	113	A59 K60	A26-A59 CarbonylContact O-C 3.53Å; A26-A59 VanDerWaalsContact O-CA 3.26Å; A26-A59 WeakPolarHBondContact O-CA 3.49Å; A26-K60 PolarHBondContact O-N 2.93Å
27	Y	97.9	Very high	97.6	Very high	118 Å²	118	55.1 Å²	55.1	46%	0.463	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.7	-179.3	-61.7	-90	0	0	0	110.9	S25 C58 A59 K60	S25-Y27 WeakPolarHBondContact CB-O 3.47Å; S25-Y27 PolarHBondContact O-N 2.87Å; S25-Y27 PolarHBondContact OG-N 3.25Å; S25-Y27 PolarHBondContact OG-O 3.2Å; Y27-C58 VanDerWaalsContact CA-O 3.32Å; Y27-C58 WeakPolarHBondContact CA-O 3.28Å; Y27-A59 HydrophobicContact CD1-CB 4.33Å; Y27-A59 HydrophobicContact CE1-CB 4.29Å; Y27-K60 WeakPolarHBondContact O-CE 3.47Å
28	H	98.5	Very high	97.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	142.5	173.4	-69.1	-66.9	0	0	0	111.4	N20 S56 C58 K60 V63 V68	N20-H28 WeakPolarHBondContact CB-ND1 3.47Å; H28-S56 VanDerWaalsContact O-CB 3.23Å; H28-S56 WeakPolarHBondContact O-CB 3.43Å; H28-S56 PolarHBondContact O-N 3.24Å; H28-S56 PolarHBondContact O-OG 2.6Å; H28-C58 PolarHBondContact N-O 2.82Å; H28-K60 WeakPolarHBondContact NE2-CA 3.46Å; H28-V63 PolarHBondContact NE2-O 2.58Å; H28-V68 HydrophobicContact CB-CG1 3.97Å; H28-V68 HydrophobicContact CB-CG2 3.67Å; H28-V68 VanDerWaalsContact CG-CG2 3.4Å
29	D	98.4	Very high	97.6	Very high	16 Å²	16	57.1 Å²	57.1	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	146.2	160.8	-67.1	-30	0	0	0	109.4	L16 R19 N20 I53 G54	L16-D29 HydrophobicContact CD2-CB 4.12Å; R19-D29 IonicContact CZ-OD2 3.56Å; R19-D29 IonicContact NE-OD2 2.86Å; R19-D29 PolarHBondContact NE-OD2 2.77Å; R19-D29 IonicContact NH2-OD2 3.88Å; R19-D29 PolarHBondContact NH2-OD2 3.19Å; N20-D29 PolarHBondContact ND2-O 2.78Å; N20-D29 PolarHBondContact OD1-N 3.22Å; D29-I53 HydrophobicContact CB-CD1 4.15Å; D29-G54 CarbonylContact C-O 3.49Å; D29-G54 WeakPolarHBondContact CA-O 3.13Å
30	M	97.3	Very high	97.6	Very high	21 Å²	21	60.6 Å²	60.6	10%	0.103	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.7	174.7	68.8	-178.4	-71.1	0	0	112.1	I32 I53 G54 V68 C72 L74	M30-I32 PolarHBondContact O-N 2.88Å; M30-I53 VanDerWaalsContact O-CA 3.28Å; M30-I53 WeakPolarHBondContact O-CA 3.42Å; M30-I53 WeakPolarHBondContact O-CB 3.25Å; M30-G54 PolarHBondContact N-O 3.05Å; M30-G54 PolarHBondContact O-N 2.97Å; M30-V68 HydrophobicContact CB-CG1 3.8Å; M30-C72 HydrophobicContact SD-CB 4.47Å; M30-L74 HydrophobicContact CE-CG 4.05Å; M30-L74 HydrophobicContact CG-CD2 3.34Å; M30-L74 HydrophobicContact CG-CG 3.81Å; M30-L74 VanDerWaalsContact SD-CA 3.53Å; M30-L74 HydrophobicContact SD-CB 4.2Å; M30-L74 HydrophobicContact SD-CD2 3.87Å; M30-L74 HydrophobicContact SD-CG 3.69Å; M30-L74 PolarHBondContact SD-N 2.8Å
31	L	98.3	Very high	97.6	Very high	29 Å²	29	66 Å²	66	15%	0.152	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.5	-178.4	-173.9	64.4	0	0	0	110.5	A12 L16 I34 A51	A12-L31 HydrophobicContact CB-CD1 4.31Å; A12-L31 HydrophobicContact CB-CD2 4.05Å; L16-L31 HydrophobicContact CD1-CB 3.7Å; L16-L31 VanDerWaalsContact CD1-N 3.34Å; L31-I34 HydrophobicContact CD1-CG1 3.95Å; L31-I34 HydrophobicContact CD2-CD1 4.16Å; L31-I34 HydrophobicContact CD2-CG1 3.97Å; L31-I34 HydrophobicContact CG-CG1 4.49Å; L31-A51 HydrophobicContact CD1-CB 3.92Å
32	I	97.7	Very high	97.6	Very high	30 Å²	30	64 Å²	64	15%	0.154	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-54.7	167.3	-57.5	174.9	0	0	0	109.3	M30 Y52 I53 L74 A80 A111 L112	M30-I32 PolarHBondContact O-N 2.88Å; I32-Y52 WeakPolarHBondContact CB-O 3.31Å; I32-Y52 PolarHBondContact N-O 3.15Å; I32-I53 WeakPolarHBondContact CD1-O 3.24Å; I32-L74 HydrophobicContact CB-CD1 4.39Å; I32-L74 HydrophobicContact CD1-CD2 4.33Å; I32-L74 HydrophobicContact CG1-CD1 3.8Å; I32-L74 HydrophobicContact CG1-CD2 3.67Å; I32-L74 HydrophobicContact CG1-CG 4.41Å; I32-L74 HydrophobicContact CG2-CD1 4.4Å; I32-A80 HydrophobicContact CD1-CB 3.73Å; I32-A111 HydrophobicContact CB-CB 4.42Å; I32-A111 HydrophobicContact CD1-CB 4.28Å; I32-A111 HydrophobicContact CG2-CB 3.8Å; I32-L112 HydrophobicContact CG2-CD2 4.23Å
33	K	97.4	Very high	97.6	Very high	80 Å²	80	62 Å²	62	35%	0.348	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	140.7	-176	-177.1	167.1	-177.7	170.3	0	111.6	A51 Y52 A114	K33-A51 CarbonylContact O-C 3.53Å; K33-A51 VanDerWaalsContact O-CA 3.27Å; K33-A51 WeakPolarHBondContact O-CA 3.25Å; K33-Y52 PolarHBondContact N-O 3.21Å; K33-Y52 PolarHBondContact O-N 2.69Å; K33-A114 WeakPolarHBondContact CE-O 3.32Å; K33-A114 PolarHBondContact NZ-O 3.2Å
34	I	98.7	Very high	97.7	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.087	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.1	165.1	-51.6	174.8	0	0	0	107.5	P3 A8 K9 A12 L31 A37 A51	P3-I34 HydrophobicContact CB-CB 4.33Å; P3-I34 HydrophobicContact CB-CG2 3.96Å; A8-I34 HydrophobicContact CB-CD1 4Å; A8-I34 WeakPolarHBondContact O-CD1 3.49Å; K9-I34 HydrophobicContact CG-CD1 4.43Å; A12-I34 HydrophobicContact CB-CD1 3.87Å; A12-I34 HydrophobicContact CB-CG1 4.39Å; L31-I34 HydrophobicContact CD1-CG1 3.95Å; L31-I34 HydrophobicContact CD2-CD1 4.16Å; L31-I34 HydrophobicContact CD2-CG1 3.97Å; L31-I34 HydrophobicContact CG-CG1 4.49Å; I34-A37 HydrophobicContact CG2-CB 4.27Å; I34-A51 HydrophobicContact CG1-CB 4.43Å
35	V	98.3	Very high	97.9	Very high	34 Å²	34	54.2 Å²	54.2	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-48	-178.6	-173.4	0	0	0	0	110.1	I50 Y52 A114	V35-I50 HydrophobicContact CB-CG2 4.33Å; V35-I50 PolarHBondContact N-O 2.87Å; V35-Y52 HydrophobicContact CG2-CD2 3.52Å; V35-Y52 HydrophobicContact CG2-CE2 3.48Å; V35-Y52 VanDerWaalsContact CG2-CE2 3.48Å; V35-A114 HydrophobicContact CG2-CB 4.19Å
36	E	98.5	Very high	98.1	Very high	111 Å²	111	54.3 Å²	54.3	52%	0.519	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.3	179.6	-64.3	170.4	-142.9	0	0	109.3	L49 I50	E36-L49 WeakPolarHBondContact O-CA 3.25Å; E36-I50 HydrophobicContact CB-CB 4Å; E36-I50 HydrophobicContact CB-CG1 4.01Å; E36-I50 PolarHBondContact N-O 3.24Å; E36-I50 PolarHBondContact O-N 2.91Å
37	A	98.7	Very high	98.2	Very high	16 Å²	16	51.7 Å²	51.7	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.9	179	0	0	0	0	0	109	M1 P3 A8 I34 L49	M1-A37 HydrophobicContact CB-CB 4.38Å; M1-A37 HydrophobicContact CE-CB 3.83Å; M1-A37 HydrophobicContact CG-CB 4.3Å; P3-A37 HydrophobicContact CB-CB 4.19Å; P3-A37 HydrophobicContact CG-CB 3.98Å; A8-A37 HydrophobicContact CB-CB 4.14Å; I34-A37 HydrophobicContact CG2-CB 4.27Å; A37-L49 HydrophobicContact CB-CD2 3.66Å
38	S	98.6	Very high	98.2	Very high	55 Å²	55	50.4 Å²	50.4	39%	0.385	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.5	177	57	0	0	0	0	109.9	Y47 K48	S38-Y47 WeakPolarHBondContact O-CA 3.27Å; S38-K48 PolarHBondContact N-O 3.46Å; S38-K48 PolarHBondContact O-N 3.3Å; S38-K48 PolarHBondContact OG-O 3.43Å
39	S	98.4	Very high	98.2	Very high	51 Å²	51	50.3 Å²	50.3	36%	0.357	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.9	179.5	55.5	0	0	0	0	109.6	N46	S39-N46 CarbonylContact C-O 3.57Å; S39-N46 VanDerWaalsContact CA-O 3.25Å; S39-N46 WeakPolarHBondContact CA-O 3.37Å
40	Q	98.4	Very high	98.3	Very high	124 Å²	124	50.3 Å²	50.3	58%	0.579	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.4	177.2	179.7	-178.1	40.2	0	0	109.2	V42 N46	Q40-V42 HydrophobicContact CG-CG1 4.44Å; Q40-N46 HydrophobicContact CB-CB 4.29Å; Q40-N46 PolarHBondContact N-O 3.34Å; Q40-N46 PolarHBondContact O-N 3.36Å
41	V	98.2	Very high	98.3	Very high	116 Å²	116	49.3 Å²	49.3	70%	0.703	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.5	174.4	-177.6	0	0	0	0	109.5	M45	V41-M45 HydrophobicContact CB-SD 4.24Å; V41-M45 HydrophobicContact CG1-SD 4.5Å; V41-M45 HydrophobicContact CG2-CE 4.12Å; V41-M45 HydrophobicContact CG2-SD 3.78Å
42	V	97.6	Very high	98.3	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.376	27%	0.266	S	S	.	.	S	Bend	trans	-136.9	-149.9	173.4	-66.9	0	0	0	0	108	Q40 G44 Y88	Q40-V42 HydrophobicContact CG-CG1 4.44Å; V42-G44 CarbonylContact C-O 3.47Å; V42-G44 WeakPolarHBondContact CG2-O 3.16Å; V42-G44 PolarHBondContact N-O 3.1Å; V42-G44 PolarHBondContact O-N 3.25Å; V42-Y88 HydrophobicContact CG2-CD2 4.13Å; V42-Y88 HydrophobicContact CG2-CE2 3.75Å
43	S	97.3	Very high	98.4	Very high	93 Å²	93	46.9 Å²	46.9	65%	0.65	26%	0.258	S	S	*	.	S	Bend	trans	-71.2	42.2	163.9	-59.4	0	0	0	0	112.3	Y88 Q90	S43-Y88 PolarHBondContact O-OH 3.24Å; S43-Q90 VanDerWaalsContact O-CD 3.31Å; S43-Q90 PolarHBondContact O-NE2 3.46Å
44	G	97.6	Very high	98.4	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	24%	0.243	C	C	.	.	S	Bend	trans	150	-153.8	-159.9	0	0	0	0	0	108.8	V42 E89	V42-G44 CarbonylContact C-O 3.47Å; V42-G44 WeakPolarHBondContact CG2-O 3.16Å; V42-G44 PolarHBondContact N-O 3.1Å; V42-G44 PolarHBondContact O-N 3.25Å; G44-E89 CarbonylContact C-O 3.58Å; G44-E89 WeakPolarHBondContact CA-O 3.44Å
45	M	98.5	Very high	98.3	Very high	41 Å²	41	44.1 Å²	44.1	20%	0.202	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.3	177	-65.4	-59.3	-65.5	0	0	110.3	V41 Y47 Y88 E89	V41-M45 HydrophobicContact CB-SD 4.24Å; V41-M45 HydrophobicContact CG1-SD 4.5Å; V41-M45 HydrophobicContact CG2-CE 4.12Å; V41-M45 HydrophobicContact CG2-SD 3.78Å; M45-Y47 HydrophobicContact CB-CE1 4.29Å; M45-Y47 HydrophobicContact CB-CE2 3.75Å; M45-Y47 HydrophobicContact CE-CE1 4.43Å; M45-Y88 CarbonylContact O-C 3.49Å; M45-Y88 WeakPolarHBondContact O-CA 3.33Å; M45-E89 PolarHBondContact N-O 3.42Å; M45-E89 PolarHBondContact O-N 2.87Å
46	N	98.8	Very high	98.3	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.3	163.6	-78.2	-31.8	0	0	0	109.1	S39 Q40 V87 Y88	S39-N46 CarbonylContact C-O 3.57Å; S39-N46 VanDerWaalsContact CA-O 3.25Å; S39-N46 WeakPolarHBondContact CA-O 3.37Å; Q40-N46 HydrophobicContact CB-CB 4.29Å; Q40-N46 PolarHBondContact N-O 3.34Å; Q40-N46 PolarHBondContact O-N 3.36Å; N46-V87 CarbonylContact C-O 3.44Å; N46-V87 WeakPolarHBondContact CA-O 3.47Å; N46-Y88 WeakPolarHBondContact OD1-CD2 3.33Å
47	Y	98.9	Very high	98.3	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.7	170.3	-52.1	-81.4	0	0	0	110.3	M1 E7 V11 S38 M45 K86 V87 E89	M1-Y47 HydrophobicContact CE-CD1 3.7Å; M1-Y47 HydrophobicContact CE-CE1 4.47Å; M1-Y47 HydrophobicContact CE-CG 4.45Å; M1-Y47 HydrophobicContact SD-CD1 3.92Å; M1-Y47 HydrophobicContact SD-CE1 4.11Å; E7-Y47 HydrophobicContact CG-CE1 4.36Å; E7-Y47 WeakPolarHBondContact OE1-CE1 3.25Å; E7-Y47 PolarHBondContact OE1-OH 3.15Å; V11-Y47 HydrophobicContact CG1-CD2 4.14Å; V11-Y47 HydrophobicContact CG1-CG 4.15Å; V11-Y47 HydrophobicContact CG2-CD1 4.25Å; V11-Y47 HydrophobicContact CG2-CD2 3.86Å; V11-Y47 HydrophobicContact CG2-CE1 4.28Å; V11-Y47 HydrophobicContact CG2-CE2 3.86Å; V11-Y47 HydrophobicContact CG2-CG 4.03Å; S38-Y47 WeakPolarHBondContact O-CA 3.27Å; M45-Y47 HydrophobicContact CB-CE1 4.29Å; M45-Y47 HydrophobicContact CB-CE2 3.75Å; M45-Y47 HydrophobicContact CE-CE1 4.43Å; Y47-K86 VanDerWaalsContact O-CA 3.29Å; Y47-K86 WeakPolarHBondContact O-CA 3.46Å; Y47-V87 HydrophobicContact CD2-CB 4.17Å; Y47-V87 HydrophobicContact CD2-CG1 4.2Å; Y47-V87 PolarHBondContact N-O 2.91Å; Y47-V87 PolarHBondContact O-N 3.46Å; Y47-E89 HydrophobicContact CE2-CB 3.78Å; Y47-E89 VanDerWaalsContact CE2-OE2 3.28Å; Y47-E89 WeakPolarHBondContact CE2-OE2 2.95Å; Y47-E89 PolarHBondContact OH-OE2 3.3Å
48	K	98.8	Very high	98.3	Very high	90 Å²	90	41.6 Å²	41.6	39%	0.391	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.3	166	178.8	-169.5	175.2	-167.4	0	108.9	S38 T84 I85 K86	S38-K48 PolarHBondContact N-O 3.46Å; S38-K48 PolarHBondContact O-N 3.3Å; S38-K48 PolarHBondContact OG-O 3.43Å; K48-T84 HydrophobicContact CG-CG2 4.5Å; K48-I85 CarbonylContact C-O 3.54Å; K48-I85 WeakPolarHBondContact CA-O 3.4Å; K48-K86 HydrophobicContact CB-CG 4.42Å; K48-K86 HydrophobicContact CG-CG 4.27Å
49	L	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.2	176	-50.7	-179.6	0	0	0	110.4	M1 V11 A12 E36 A37 T84 I85	M1-L49 HydrophobicContact CE-CD2 3.51Å; V11-L49 HydrophobicContact CB-CD1 4.26Å; V11-L49 HydrophobicContact CG1-CD1 3.89Å; V11-L49 HydrophobicContact CG1-CG 4.46Å; A12-L49 HydrophobicContact CB-CD1 3.81Å; E36-L49 WeakPolarHBondContact O-CA 3.25Å; A37-L49 HydrophobicContact CB-CD2 3.66Å; L49-T84 WeakPolarHBondContact O-CA 3.18Å; L49-I85 HydrophobicContact CB-CB 4.27Å; L49-I85 PolarHBondContact N-O 2.96Å; L49-I85 PolarHBondContact O-N 2.97Å
50	I	98.7	Very high	98.2	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.6	160.4	-54.4	-61.2	0	0	0	106.5	V35 E36 K82 C83 T84	V35-I50 HydrophobicContact CB-CG2 4.33Å; V35-I50 PolarHBondContact N-O 2.87Å; E36-I50 HydrophobicContact CB-CB 4Å; E36-I50 HydrophobicContact CB-CG1 4.01Å; E36-I50 PolarHBondContact N-O 3.24Å; E36-I50 PolarHBondContact O-N 2.91Å; I50-K82 HydrophobicContact CG2-CD 4.43Å; I50-K82 HydrophobicContact CG2-CG 4.23Å; I50-C83 WeakPolarHBondContact CA-O 3.27Å; I50-T84 HydrophobicContact CD1-CG2 3.89Å; I50-T84 VanDerWaalsContact CD1-OG1 3.25Å; I50-T84 WeakPolarHBondContact CD1-OG1 3.23Å
51	A	98.8	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.6	-174.6	0	0	0	0	0	111.9	L31 K33 I34 C83 I85	L31-A51 HydrophobicContact CD1-CB 3.92Å; K33-A51 CarbonylContact O-C 3.53Å; K33-A51 VanDerWaalsContact O-CA 3.27Å; K33-A51 WeakPolarHBondContact O-CA 3.25Å; I34-A51 HydrophobicContact CG1-CB 4.43Å; A51-C83 PolarHBondContact N-O 2.9Å; A51-C83 PolarHBondContact O-N 2.65Å; A51-I85 HydrophobicContact CB-CD1 4.46Å
52	Y	98.8	Very high	98.1	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.6	166	-71.1	-86.6	0	0	0	110.2	I32 K33 V35 E81 K82 A106 E110 A111 A114	I32-Y52 WeakPolarHBondContact CB-O 3.31Å; I32-Y52 PolarHBondContact N-O 3.15Å; K33-Y52 PolarHBondContact N-O 3.21Å; K33-Y52 PolarHBondContact O-N 2.69Å; V35-Y52 HydrophobicContact CG2-CD2 3.52Å; V35-Y52 HydrophobicContact CG2-CE2 3.48Å; V35-Y52 VanDerWaalsContact CG2-CE2 3.48Å; Y52-E81 CarbonylContact C-O 3.53Å; Y52-E81 VanDerWaalsContact CA-O 3.24Å; Y52-E81 WeakPolarHBondContact CA-O 3.36Å; Y52-K82 HydrophobicContact CD1-CB 3.92Å; Y52-K82 HydrophobicContact CD1-CG 4.35Å; Y52-K82 HydrophobicContact CE1-CB 3.6Å; Y52-K82 HydrophobicContact CE1-CD 4.18Å; Y52-K82 HydrophobicContact CE1-CG 3.94Å; Y52-K82 HydrophobicContact CE2-CD 4.43Å; Y52-K82 HydrophobicContact CE2-CG 4.39Å; Y52-A106 HydrophobicContact CD1-CB 3.98Å; Y52-A106 HydrophobicContact CE1-CB 3.69Å; Y52-E110 HydrophobicContact CE1-CG 4.26Å; Y52-E110 WeakPolarHBondContact CE1-OE1 3.47Å; Y52-E110 PolarHBondContact OH-OE1 3.05Å; Y52-A111 VanDerWaalsContact CB-CB 3.43Å; Y52-A111 HydrophobicContact CD1-CB 3.6Å; Y52-A111 HydrophobicContact CD2-CB 3.88Å; Y52-A111 HydrophobicContact CE1-CB 4.28Å; Y52-A111 HydrophobicContact CG-CB 3.36Å; Y52-A114 HydrophobicContact CD2-CB 4.3Å; Y52-A114 HydrophobicContact CE2-CB 3.55Å
53	I	98.6	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	161.4	175.4	72.3	173	0	0	0	109.5	L16 D29 M30 I32 A80 E81 F101	L16-I53 HydrophobicContact CD1-CG2 4.37Å; L16-I53 HydrophobicContact CD2-CB 4.34Å; L16-I53 HydrophobicContact CD2-CD1 4.23Å; L16-I53 HydrophobicContact CD2-CG2 3.91Å; D29-I53 HydrophobicContact CB-CD1 4.15Å; M30-I53 VanDerWaalsContact O-CA 3.28Å; M30-I53 WeakPolarHBondContact O-CA 3.42Å; M30-I53 WeakPolarHBondContact O-CB 3.25Å; I32-I53 WeakPolarHBondContact CD1-O 3.24Å; I53-A80 CarbonylContact O-C 3.54Å; I53-A80 VanDerWaalsContact O-CA 3.24Å; I53-A80 WeakPolarHBondContact O-CA 3.48Å; I53-A80 WeakPolarHBondContact O-CB 3.26Å; I53-E81 HydrophobicContact CG1-CB 4.08Å; I53-E81 PolarHBondContact N-O 3.25Å; I53-E81 PolarHBondContact O-N 3.02Å; I53-F101 HydrophobicContact CD1-CE1 4.07Å; I53-F101 HydrophobicContact CD1-CZ 4.28Å
54	G	97.9	Very high	98.1	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	167.2	174	0	0	0	0	0	112	D29 M30	D29-G54 CarbonylContact C-O 3.49Å; D29-G54 WeakPolarHBondContact CA-O 3.13Å; M30-G54 PolarHBondContact N-O 3.05Å; M30-G54 PolarHBondContact O-N 2.97Å
55	P	97.3	Very high	98.1	Very high	36 Å²	36	43.1 Å²	43.1	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.2	179.8	26.5	-32.8	0	0	0	110.2	N75	P55-N75 HydrophobicContact CB-CB 4.35Å; P55-N75 HydrophobicContact CG-CB 4.08Å; P55-N75 WeakPolarHBondContact O-CB 3.1Å; P55-N75 PolarHBondContact O-N 3.03Å
56	S	98	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	171.4	169.9	74	0	0	0	0	111.4	H28 C58 Q73	H28-S56 VanDerWaalsContact O-CB 3.23Å; H28-S56 WeakPolarHBondContact O-CB 3.43Å; H28-S56 PolarHBondContact O-N 3.24Å; H28-S56 PolarHBondContact O-OG 2.6Å; S56-C58 VanDerWaalsContact C-N 3.27Å; S56-C58 PolarHBondContact OG-N 3.24Å; S56-C58 PolarHBondContact OG-O 2.85Å; S56-Q73 CarbonylContact C-O 3.57Å; S56-Q73 VanDerWaalsContact CA-O 3.28Å; S56-Q73 WeakPolarHBondContact CA-O 3.37Å; S56-Q73 WeakPolarHBondContact CB-O 3.45Å
57	K	97.9	Very high	98	Very high	91 Å²	91	46.6 Å²	46.6	40%	0.396	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-7.3	168	-64.1	-178.4	178.6	175.8	0	113	Q73 L74 D76	K57-Q73 HydrophobicContact CD-CB 4.5Å; K57-Q73 PolarHBondContact N-O 2.96Å; K57-L74 VanDerWaalsContact CE-O 3.28Å; K57-L74 WeakPolarHBondContact CE-O 3.49Å; K57-D76 WeakPolarHBondContact CE-OD1 3.45Å; K57-D76 WeakPolarHBondContact CE-OD2 3.24Å; K57-D76 IonicContact NZ-OD1 3Å; K57-D76 PolarHBondContact NZ-OD1 2.71Å; K57-D76 IonicContact NZ-OD2 2.73Å; K57-D76 PolarHBondContact NZ-OD2 2.79Å
58	C	98.3	Very high	98	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.122	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.3	-176.7	-70.1	0	0	0	0	111.9	Y27 H28 S56 V63 C72	Y27-C58 VanDerWaalsContact CA-O 3.32Å; Y27-C58 WeakPolarHBondContact CA-O 3.28Å; H28-C58 PolarHBondContact N-O 2.82Å; S56-C58 VanDerWaalsContact C-N 3.27Å; S56-C58 PolarHBondContact OG-N 3.24Å; S56-C58 PolarHBondContact OG-O 2.85Å; C58-V63 HydrophobicContact CB-CB 4.28Å; C58-V63 HydrophobicContact CB-CG2 4.07Å; C58-C72 HydrophobicContact CB-CB 3.89Å; C58-C72 WeakPolarHBondContact CB-SG 3.37Å; C58-C72 WeakPolarHBondContact SG-CA 3.43Å; C58-C72 WeakPolarHBondContact SG-CB 3.47Å; C58-C72 CovalentContact SG-SG 2.02Å; C58-C72 PolarHBondContact SG-SG 3.4Å
59	A	97.6	Very high	97.8	Very high	14 Å²	14	47.3 Å²	47.3	12%	0.116	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.4	168.6	0	0	0	0	0	110.8	A26 Y27 K61 D62 V63	A26-A59 CarbonylContact O-C 3.53Å; A26-A59 VanDerWaalsContact O-CA 3.26Å; A26-A59 WeakPolarHBondContact O-CA 3.49Å; Y27-A59 HydrophobicContact CD1-CB 4.33Å; Y27-A59 HydrophobicContact CE1-CB 4.29Å; A59-K61 HydrophobicContact CB-CG 3.94Å; A59-K61 PolarHBondContact O-N 2.77Å; A59-D62 WeakPolarHBondContact CB-OD2 3.19Å; A59-D62 PolarHBondContact O-N 3.49Å; A59-V63 PolarHBondContact O-N 2.99Å
60	K	96.9	Very high	97.7	Very high	53 Å²	53	51.7 Å²	51.7	23%	0.23	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	-178.7	-63.5	-160.6	179.1	178.1	0	114.6	N20 S23 S25 A26 Y27 H28 D62	N20-K60 WeakPolarHBondContact O-CE 3.48Å; N20-K60 PolarHBondContact O-NZ 2.77Å; S23-K60 VanDerWaalsContact C-NZ 3.33Å; S23-K60 VanDerWaalsContact CB-NZ 3.34Å; S23-K60 PolarHBondContact O-NZ 2.78Å; S23-K60 PolarHBondContact OG-NZ 2.91Å; S25-K60 WeakPolarHBondContact O-CD 3.2Å; S25-K60 WeakPolarHBondContact O-CE 3.47Å; S25-K60 PolarHBondContact O-NZ 2.87Å; A26-K60 PolarHBondContact O-N 2.93Å; Y27-K60 WeakPolarHBondContact O-CE 3.47Å; H28-K60 WeakPolarHBondContact NE2-CA 3.46Å; K60-D62 VanDerWaalsContact C-N 3.29Å
61	K	96.7	Very high	97.7	Very high	178 Å²	178	57.3 Å²	57.3	77%	0.774	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-22	176	61.2	170	-167.6	177	0	113.4	A59	A59-K61 HydrophobicContact CB-CG 3.94Å; A59-K61 PolarHBondContact O-N 2.77Å
62	D	97.7	Very high	97.7	Very high	111 Å²	111	57.9 Å²	57.9	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-27.7	-169.5	-58.7	-42.4	0	0	0	112.5	A59 K60	A59-D62 WeakPolarHBondContact CB-OD2 3.19Å; A59-D62 PolarHBondContact O-N 3.49Å; K60-D62 VanDerWaalsContact C-N 3.29Å
63	V	98.2	Very high	97.6	Very high	23 Å²	23	64 Å²	64	14%	0.139	32%	0.319	C	S	.	.	S	Bend	trans	-131.9	141.1	-178.5	-179	0	0	0	0	109.4	H28 C58 A59 D67 V68 K71	H28-V63 PolarHBondContact NE2-O 2.58Å; C58-V63 HydrophobicContact CB-CB 4.28Å; C58-V63 HydrophobicContact CB-CG2 4.07Å; A59-V63 PolarHBondContact O-N 2.99Å; V63-D67 HydrophobicContact CG1-CB 3.78Å; V63-V68 HydrophobicContact CG1-CG2 4.45Å; V63-K71 HydrophobicContact CG1-CB 4.29Å
64	K	98	Very high	97.5	Very high	128 Å²	128	65.8 Å²	65.8	56%	0.557	33%	0.328	S	S	*	.			trans	-78.3	150.5	175.6	-62.3	-172.1	180	-178.8	0	111.5	E66 D67	K64-E66 VanDerWaalsContact C-N 3.25Å; K64-E66 HydrophobicContact CB-CG 4.31Å; K64-E66 WeakPolarHBondContact CB-OE2 3.46Å; K64-E66 VanDerWaalsContact CD-OE1 3.23Å; K64-E66 WeakPolarHBondContact CD-OE1 3.5Å; K64-E66 PolarHBondContact O-N 2.98Å; K64-D67 PolarHBondContact O-N 2.04Å
65	P	97.6	Very high	97.4	Very high	29 Å²	29	68.7 Å²	68.7	19%	0.188	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-51.2	-39.2	-180	-27.8	35.1	0	0	0	114.9	A17 N20 T21 D67 V68	A17-P65 HydrophobicContact CB-CB 4Å; A17-P65 WeakPolarHBondContact O-CB 3.36Å; N20-P65 HydrophobicContact CB-CB 4.03Å; N20-P65 HydrophobicContact CB-CG 4.46Å; T21-P65 WeakPolarHBondContact OG1-CG 3.41Å; P65-D67 VanDerWaalsContact C-N 3.3Å; P65-D67 PolarHBondContact O-N 3.04Å; P65-V68 WeakPolarHBondContact O-CG2 3.13Å
66	E	96.7	Very high	97.2	Very high	122 Å²	122	72.7 Å²	72.7	57%	0.57	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.3	179.7	60.9	-90.7	-151.3	0	0	114.2	K64	K64-E66 VanDerWaalsContact C-N 3.25Å; K64-E66 HydrophobicContact CB-CG 4.31Å; K64-E66 WeakPolarHBondContact CB-OE2 3.46Å; K64-E66 VanDerWaalsContact CD-OE1 3.23Å; K64-E66 WeakPolarHBondContact CD-OE1 3.5Å; K64-E66 PolarHBondContact O-N 2.98Å
67	D	97.8	Very high	97	Very high	46 Å²	46	74 Å²	74	25%	0.246	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-94.7	-5.3	-176.4	-76.5	-31.6	0	0	0	113.3	V63 K64 P65 H69 S70 K71	V63-D67 HydrophobicContact CG1-CB 3.78Å; K64-D67 PolarHBondContact O-N 2.04Å; P65-D67 VanDerWaalsContact C-N 3.3Å; P65-D67 PolarHBondContact O-N 3.04Å; D67-H69 VanDerWaalsContact C-N 3.33Å; D67-H69 PolarHBondContact O-N 3.19Å; D67-S70 PolarHBondContact O-N 3.41Å; D67-S70 PolarHBondContact O-OG 3.01Å; D67-K71 HydrophobicContact CB-CD 3.91Å; D67-K71 HydrophobicContact CB-CG 4.31Å; D67-K71 VanDerWaalsContact CG-NZ 3.28Å; D67-K71 WeakPolarHBondContact O-CB 3.42Å; D67-K71 PolarHBondContact O-N 3.18Å; D67-K71 IonicContact OD1-NZ 2.76Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.37Å
68	V	98	Very high	96.8	Very high	6 Å²	6	73.8 Å²	73.8	4%	0.036	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-42.9	-170.6	174.9	0	0	0	0	111.8	H28 M30 V63 P65 S70 C72	H28-V68 HydrophobicContact CB-CG1 3.97Å; H28-V68 HydrophobicContact CB-CG2 3.67Å; H28-V68 VanDerWaalsContact CG-CG2 3.4Å; M30-V68 HydrophobicContact CB-CG1 3.8Å; V63-V68 HydrophobicContact CG1-CG2 4.45Å; P65-V68 WeakPolarHBondContact O-CG2 3.13Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.32Å; V68-C72 HydrophobicContact CG1-CB 4Å; V68-C72 WeakPolarHBondContact O-CB 3.37Å; V68-C72 PolarHBondContact O-N 2.81Å
69	H	96.6	Very high	96.8	Very high	112 Å²	112	76.3 Å²	76.3	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-35	-177.9	176.7	47	0	0	0	113.1	H13 D67	H13-H69 AromaticContact CD2-CD2 3.46Å; H13-H69 PolarHBondContact CD2-CD2 2.79Å; H13-H69 VanDerWaalsContact CD2-CD2 3.46Å; H13-H69 AromaticContact CD2-CG 3.67Å; H13-H69 AromaticContact CD2-NE2 3.93Å; H13-H69 AromaticContact CE1-CD2 3.67Å; H13-H69 AromaticContact CE1-CE1 3.53Å; H13-H69 AromaticContact CE1-CG 3.18Å; H13-H69 AromaticContact CE1-ND1 3.1Å; H13-H69 PolarHBondContact CE1-ND1 3.01Å; H13-H69 AromaticContact CE1-NE2 3.89Å; H13-H69 AromaticContact CG-CG 3.83Å; H13-H69 AromaticContact ND1-CG 3.53Å; H13-H69 AromaticContact ND1-ND1 3.84Å; H13-H69 AromaticContact NE2-CD2 3.24Å; H13-H69 PolarHBondContact NE2-CD2 3.39Å; H13-H69 AromaticContact NE2-CE1 3.34Å; H13-H69 PolarHBondContact NE2-CE1 2.99Å; H13-H69 VanDerWaalsContact NE2-CE1 3.34Å; H13-H69 AromaticContact NE2-CG 3.29Å; H13-H69 VanDerWaalsContact NE2-CG 3.29Å; H13-H69 AromaticContact NE2-ND1 3.36Å; H13-H69 PolarHBondContact NE2-ND1 3.47Å; H13-H69 AromaticContact NE2-NE2 3.3Å; H13-H69 PolarHBondContact NE2-NE2 3.3Å; D67-H69 VanDerWaalsContact C-N 3.33Å; D67-H69 PolarHBondContact O-N 3.19Å
70	S	96.8	Very high	96.8	Very high	93 Å²	93	76 Å²	76	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-93.3	-24.5	-175.4	59.6	0	0	0	0	113.7	D67 V68	D67-S70 PolarHBondContact O-N 3.41Å; D67-S70 PolarHBondContact O-OG 3.01Å; V68-S70 VanDerWaalsContact C-N 3.29Å; V68-S70 PolarHBondContact O-N 3.32Å
71	K	97.9	Very high	96.9	Very high	133 Å²	133	76.1 Å²	76.1	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-111.4	-13	-173.3	-60.9	-173.1	-170.3	162.7	0	115	V63 D67	V63-K71 HydrophobicContact CG1-CB 4.29Å; D67-K71 HydrophobicContact CB-CD 3.91Å; D67-K71 HydrophobicContact CB-CG 4.31Å; D67-K71 VanDerWaalsContact CG-NZ 3.28Å; D67-K71 WeakPolarHBondContact O-CB 3.42Å; D67-K71 PolarHBondContact O-N 3.18Å; D67-K71 IonicContact OD1-NZ 2.76Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.37Å
72	C	98	Very high	97	Very high	13 Å²	13	71.4 Å²	71.4	9%	0.088	38%	0.376	C	S	.	.			trans	-114.1	156	-172	-59.7	0	0	0	0	113.7	M30 C58 V68	M30-C72 HydrophobicContact SD-CB 4.47Å; C58-C72 HydrophobicContact CB-CB 3.89Å; C58-C72 WeakPolarHBondContact CB-SG 3.37Å; C58-C72 WeakPolarHBondContact SG-CA 3.43Å; C58-C72 WeakPolarHBondContact SG-CB 3.47Å; C58-C72 CovalentContact SG-SG 2.02Å; C58-C72 PolarHBondContact SG-SG 3.4Å; V68-C72 HydrophobicContact CG1-CB 4Å; V68-C72 WeakPolarHBondContact O-CB 3.37Å; V68-C72 PolarHBondContact O-N 2.81Å
73	Q	96.8	Very high	97	Very high	136 Å²	136	66.1 Å²	66.1	64%	0.636	35%	0.347	S	S	*	.			trans	-118.5	151.4	173.8	-63.5	178.7	10.3	0	0	110	S56 K57	S56-Q73 CarbonylContact C-O 3.57Å; S56-Q73 VanDerWaalsContact CA-O 3.28Å; S56-Q73 WeakPolarHBondContact CA-O 3.37Å; S56-Q73 WeakPolarHBondContact CB-O 3.45Å; K57-Q73 HydrophobicContact CD-CB 4.5Å; K57-Q73 PolarHBondContact N-O 2.96Å
74	L	96.7	Very high	97	Very high	36 Å²	36	66.9 Å²	66.9	19%	0.188	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-61.4	143.3	175	-80.1	164.4	0	0	0	109.8	M30 I32 K57	M30-L74 HydrophobicContact CE-CG 4.05Å; M30-L74 HydrophobicContact CG-CD2 3.34Å; M30-L74 HydrophobicContact CG-CG 3.81Å; M30-L74 VanDerWaalsContact SD-CA 3.53Å; M30-L74 HydrophobicContact SD-CB 4.2Å; M30-L74 HydrophobicContact SD-CD2 3.87Å; M30-L74 HydrophobicContact SD-CG 3.69Å; M30-L74 PolarHBondContact SD-N 2.8Å; I32-L74 HydrophobicContact CB-CD1 4.39Å; I32-L74 HydrophobicContact CD1-CD2 4.33Å; I32-L74 HydrophobicContact CG1-CD1 3.8Å; I32-L74 HydrophobicContact CG1-CD2 3.67Å; I32-L74 HydrophobicContact CG1-CG 4.41Å; I32-L74 HydrophobicContact CG2-CD1 4.4Å; K57-L74 VanDerWaalsContact CE-O 3.28Å; K57-L74 WeakPolarHBondContact CE-O 3.49Å
75	N	95.3	Very high	97.1	Very high	65 Å²	65	60.8 Å²	60.8	35%	0.348	33%	0.326	S	S	.	.			trans	-61.1	148.2	167.7	-168.9	-64.3	0	0	0	109.7	P55 G77 R108	P55-N75 HydrophobicContact CB-CB 4.35Å; P55-N75 HydrophobicContact CG-CB 4.08Å; P55-N75 WeakPolarHBondContact O-CB 3.1Å; P55-N75 PolarHBondContact O-N 3.03Å; N75-G77 PolarHBondContact O-N 3.14Å; N75-G77 PolarHBondContact OD1-N 3.17Å; N75-R108 PolarHBondContact O-NH1 3.29Å
76	D	93.6	Very high	97.2	Very high	119 Å²	119	63.3 Å²	63.3	64%	0.636	33%	0.334	S	S	*	.	S	Bend	trans	-74.2	-10.5	-178	-58	-43	0	0	0	112.9	K57	K57-D76 WeakPolarHBondContact CE-OD1 3.45Å; K57-D76 WeakPolarHBondContact CE-OD2 3.24Å; K57-D76 IonicContact NZ-OD1 3Å; K57-D76 PolarHBondContact NZ-OD1 2.71Å; K57-D76 IonicContact NZ-OD2 2.73Å; K57-D76 PolarHBondContact NZ-OD2 2.79Å
77	G	94.3	Very high	97.3	Very high	29 Å²	29	57.6 Å²	57.6	30%	0.299	31%	0.307	S	S	.	.	S	Bend	trans	-61	164.2	175.1	0	0	0	0	0	114.3	N75 R108	N75-G77 PolarHBondContact O-N 3.14Å; N75-G77 PolarHBondContact OD1-N 3.17Å; G77-R108 WeakPolarHBondContact O-CD 3.41Å
78	N	94.2	Very high	97.3	Very high	86 Å²	86	57.6 Å²	57.6	46%	0.46	30%	0.304	S	S	.	.	S	Bend	trans	-93.7	3.7	-179.9	-168.4	44.2	0	0	0	113.3	T107 R108 R109	N78-T107 CarbonylContact O-C 3.58Å; N78-T107 VanDerWaalsContact O-CA 3.26Å; N78-T107 WeakPolarHBondContact O-CA 3.48Å; N78-R108 PolarHBondContact O-N 3.32Å; N78-R108 PolarHBondContact OD1-N 2.84Å; N78-R109 PolarHBondContact OD1-N 2.73Å; N78-R109 VanDerWaalsContact OD1-N 3.14Å
79	S	96.6	Very high	97.3	Very high	70 Å²	70	58.6 Å²	58.6	49%	0.49	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.3	177.3	50.9	0	0	0	0	110.9
80	A	98.3	Very high	97.4	Very high	7 Å²	7	55 Å²	55	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	169.6	169.7	0	0	0	0	0	109.1	I32 I53 A106 T107	I32-A80 HydrophobicContact CD1-CB 3.73Å; I53-A80 CarbonylContact O-C 3.54Å; I53-A80 VanDerWaalsContact O-CA 3.24Å; I53-A80 WeakPolarHBondContact O-CA 3.48Å; I53-A80 WeakPolarHBondContact O-CB 3.26Å; A80-A106 HydrophobicContact CB-CB 4.41Å; A80-A106 PolarHBondContact N-O 3.38Å; A80-A106 CarbonylContact O-C 3.32Å; A80-A106 WeakPolarHBondContact O-CA 3.17Å; A80-A106 PolarHBondContact O-N 2.82Å; A80-T107 VanDerWaalsContact CB-C 3.45Å
81	E	98.6	Very high	97.4	Very high	57 Å²	57	54 Å²	54	27%	0.266	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.8	169.2	-63.6	-173.8	96.2	0	0	109.4	R19 Y52 I53 C103 K104	R19-E81 IonicContact CZ-OE2 3.51Å; R19-E81 IonicContact NH2-OE2 3.24Å; R19-E81 PolarHBondContact NH2-OE2 2.76Å; Y52-E81 CarbonylContact C-O 3.53Å; Y52-E81 VanDerWaalsContact CA-O 3.24Å; Y52-E81 WeakPolarHBondContact CA-O 3.36Å; I53-E81 HydrophobicContact CG1-CB 4.08Å; I53-E81 PolarHBondContact N-O 3.25Å; I53-E81 PolarHBondContact O-N 3.02Å; E81-C103 HydrophobicContact CB-CB 4.05Å; E81-C103 WeakPolarHBondContact OE1-CB 3.16Å; E81-K104 CarbonylContact C-O 3.49Å; E81-K104 VanDerWaalsContact CA-O 3.26Å; E81-K104 WeakPolarHBondContact CA-O 3.42Å
82	K	98.7	Very high	97.3	Very high	79 Å²	79	56 Å²	56	34%	0.343	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.1	167.8	-170.3	178.9	-173.4	165.1	0	108.3	I50 Y52 C103 K104 A106	I50-K82 HydrophobicContact CG2-CD 4.43Å; I50-K82 HydrophobicContact CG2-CG 4.23Å; Y52-K82 HydrophobicContact CD1-CB 3.92Å; Y52-K82 HydrophobicContact CD1-CG 4.35Å; Y52-K82 HydrophobicContact CE1-CB 3.6Å; Y52-K82 HydrophobicContact CE1-CD 4.18Å; Y52-K82 HydrophobicContact CE1-CG 3.94Å; Y52-K82 HydrophobicContact CE2-CD 4.43Å; Y52-K82 HydrophobicContact CE2-CG 4.39Å; K82-C103 CarbonylContact O-C 3.57Å; K82-C103 WeakPolarHBondContact O-CA 3.1Å; K82-K104 PolarHBondContact N-O 3.14Å; K82-K104 PolarHBondContact O-N 3.29Å; K82-A106 HydrophobicContact CB-CB 4.35Å
83	C	98.8	Very high	97.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142.4	-173.6	-54.9	0	0	0	0	112.2	I50 A51 I85 F101 S102 C103	I50-C83 WeakPolarHBondContact CA-O 3.27Å; A51-C83 PolarHBondContact N-O 2.9Å; A51-C83 PolarHBondContact O-N 2.65Å; C83-I85 HydrophobicContact CB-CG1 4.33Å; C83-F101 HydrophobicContact CB-CD1 4.34Å; C83-F101 HydrophobicContact CB-CE1 3.83Å; C83-S102 CarbonylContact C-O 3.56Å; C83-S102 WeakPolarHBondContact CA-O 3.02Å; C83-C103 HydrophobicContact CB-CB 4.16Å; C83-C103 WeakPolarHBondContact CB-SG 3.28Å; C83-C103 WeakPolarHBondContact SG-CB 3.26Å; C83-C103 CovalentContact SG-SG 2.04Å; C83-C103 PolarHBondContact SG-SG 3.27Å
84	T	98.9	Very high	97.3	Very high	38 Å²	38	59.7 Å²	59.7	23%	0.233	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	162.8	-57.9	0	0	0	0	107.8	K48 L49 I50 S102	K48-T84 HydrophobicContact CG-CG2 4.5Å; L49-T84 WeakPolarHBondContact O-CA 3.18Å; I50-T84 HydrophobicContact CD1-CG2 3.89Å; I50-T84 VanDerWaalsContact CD1-OG1 3.25Å; I50-T84 WeakPolarHBondContact CD1-OG1 3.23Å; T84-S102 PolarHBondContact N-O 3.43Å; T84-S102 PolarHBondContact O-N 3.4Å
85	I	98.9	Very high	97.4	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.8	-178.1	-54.4	167.7	0	0	0	107.1	K48 L49 A51 C83 V87 V98 E100 F101	K48-I85 CarbonylContact C-O 3.54Å; K48-I85 WeakPolarHBondContact CA-O 3.4Å; L49-I85 HydrophobicContact CB-CB 4.27Å; L49-I85 PolarHBondContact N-O 2.96Å; L49-I85 PolarHBondContact O-N 2.97Å; A51-I85 HydrophobicContact CB-CD1 4.46Å; C83-I85 HydrophobicContact CB-CG1 4.33Å; I85-V87 HydrophobicContact CG2-CG2 4.04Å; I85-V98 HydrophobicContact CG2-CG1 4.5Å; I85-E100 CarbonylContact C-O 3.52Å; I85-E100 WeakPolarHBondContact CA-O 3.44Å; I85-F101 HydrophobicContact CD1-CD2 4.46Å; I85-F101 HydrophobicContact CD1-CE1 4.26Å; I85-F101 HydrophobicContact CD1-CE2 3.79Å; I85-F101 HydrophobicContact CD1-CZ 3.66Å; I85-F101 HydrophobicContact CG1-CD1 4.27Å; I85-F101 HydrophobicContact CG1-CD2 4.09Å; I85-F101 HydrophobicContact CG1-CE1 4.07Å; I85-F101 HydrophobicContact CG1-CE2 3.9Å; I85-F101 HydrophobicContact CG1-CG 4.27Å; I85-F101 HydrophobicContact CG1-CZ 3.88Å; I85-F101 HydrophobicContact CG2-CD2 4.2Å; I85-F101 HydrophobicContact CG2-CE2 4.39Å
86	K	98.9	Very high	97.5	Very high	82 Å²	82	60 Å²	60	36%	0.357	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.9	170.7	-63.6	177.6	-174.9	155	0	109.5	Y47 K48 V98 T99 E100	Y47-K86 VanDerWaalsContact O-CA 3.29Å; Y47-K86 WeakPolarHBondContact O-CA 3.46Å; K48-K86 HydrophobicContact CB-CG 4.42Å; K48-K86 HydrophobicContact CG-CG 4.27Å; K86-V98 CarbonylContact O-C 3.57Å; K86-T99 WeakPolarHBondContact CB-OG1 2.89Å; K86-T99 PolarHBondContact O-N 3.04Å; K86-T99 PolarHBondContact O-OG1 2.02Å; K86-E100 HydrophobicContact CB-CB 3.84Å; K86-E100 HydrophobicContact CD-CB 4.06Å; K86-E100 WeakPolarHBondContact CD-OE2 3.48Å; K86-E100 WeakPolarHBondContact CE-OE2 3.46Å; K86-E100 HydrophobicContact CG-CB 4.07Å; K86-E100 PolarHBondContact N-O 3.06Å; K86-E100 IonicContact NZ-OE2 2.79Å; K86-E100 PolarHBondContact NZ-OE2 2.71Å; K86-E100 PolarHBondContact O-N 2.7Å
87	V	98.9	Very high	97.8	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.1	-177.1	178.3	0	0	0	0	109.2	V11 S15 N46 Y47 I85 F96 E97 V98	V11-V87 HydrophobicContact CG1-CB 4.13Å; V11-V87 HydrophobicContact CG1-CG1 4.45Å; V11-V87 HydrophobicContact CG1-CG2 3.8Å; S15-V87 VanDerWaalsContact OG-CG2 3.25Å; S15-V87 WeakPolarHBondContact OG-CG2 3.49Å; N46-V87 CarbonylContact C-O 3.44Å; N46-V87 WeakPolarHBondContact CA-O 3.47Å; Y47-V87 HydrophobicContact CD2-CB 4.17Å; Y47-V87 HydrophobicContact CD2-CG1 4.2Å; Y47-V87 PolarHBondContact N-O 2.91Å; Y47-V87 PolarHBondContact O-N 3.46Å; I85-V87 HydrophobicContact CG2-CG2 4.04Å; V87-F96 HydrophobicContact CB-CZ 4.44Å; V87-F96 HydrophobicContact CG1-CD1 4.29Å; V87-F96 HydrophobicContact CG1-CD2 4.01Å; V87-F96 HydrophobicContact CG1-CE1 3.88Å; V87-F96 HydrophobicContact CG1-CE2 3.59Å; V87-F96 HydrophobicContact CG1-CG 4.35Å; V87-F96 HydrophobicContact CG1-CZ 3.51Å; V87-F96 HydrophobicContact CG2-CE1 4.43Å; V87-F96 HydrophobicContact CG2-CZ 4.09Å; V87-E97 CarbonylContact C-O 3.46Å; V87-E97 VanDerWaalsContact CA-O 3.25Å; V87-E97 WeakPolarHBondContact CA-O 3.25Å; V87-V98 HydrophobicContact CG2-CG2 4.36Å
88	Y	98.8	Very high	98	Very high	46 Å²	46	59.1 Å²	59.1	18%	0.18	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.5	161.2	173	-103.7	0	0	0	109	V42 S43 M45 N46 Q90 T95 E97	V42-Y88 HydrophobicContact CG2-CD2 4.13Å; V42-Y88 HydrophobicContact CG2-CE2 3.75Å; S43-Y88 PolarHBondContact O-OH 3.24Å; M45-Y88 CarbonylContact O-C 3.49Å; M45-Y88 WeakPolarHBondContact O-CA 3.33Å; N46-Y88 WeakPolarHBondContact OD1-CD2 3.33Å; Y88-Q90 HydrophobicContact CE1-CB 4.09Å; Y88-Q90 PolarHBondContact OH-OE1 2.79Å; Y88-Q90 VanDerWaalsContact OH-OE1 3.05Å; Y88-T95 HydrophobicContact CD1-CG2 4.12Å; Y88-T95 HydrophobicContact CE1-CG2 4.06Å; Y88-E97 PolarHBondContact N-O 2.81Å; Y88-E97 PolarHBondContact O-N 3.17Å
89	E	98.7	Very high	98.2	Very high	26 Å²	26	58.7 Å²	58.7	12%	0.121	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	177.7	-171.4	177.9	-144.5	0	0	110.9	K14 G44 M45 Y47 P91 T95 F96	K14-E89 IonicContact NZ-OE1 2.71Å; G44-E89 CarbonylContact C-O 3.58Å; G44-E89 WeakPolarHBondContact CA-O 3.44Å; M45-E89 PolarHBondContact N-O 3.42Å; M45-E89 PolarHBondContact O-N 2.87Å; Y47-E89 HydrophobicContact CE2-CB 3.78Å; Y47-E89 VanDerWaalsContact CE2-OE2 3.28Å; Y47-E89 WeakPolarHBondContact CE2-OE2 2.95Å; Y47-E89 PolarHBondContact OH-OE2 3.3Å; E89-P91 HydrophobicContact CG-CG 4.24Å; E89-T95 CarbonylContact C-O 3.6Å; E89-T95 WeakPolarHBondContact CA-O 3.28Å; E89-F96 HydrophobicContact CB-CD2 4.25Å; E89-F96 HydrophobicContact CG-CD2 3.97Å
90	Q	98.3	Very high	98.3	Very high	36 Å²	36	58.4 Å²	58.4	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	93.2	173.9	-170.6	177.8	17.3	0	0	108.4	S43 Y88 W92 T93 N94 T95	S43-Q90 VanDerWaalsContact O-CD 3.31Å; S43-Q90 PolarHBondContact O-NE2 3.46Å; Y88-Q90 HydrophobicContact CE1-CB 4.09Å; Y88-Q90 PolarHBondContact OH-OE1 2.79Å; Y88-Q90 VanDerWaalsContact OH-OE1 3.05Å; Q90-W92 HydrophobicContact CG-CD2 3.73Å; Q90-W92 HydrophobicContact CG-CE3 4.02Å; Q90-W92 HydrophobicContact CG-CG 4.44Å; Q90-W92 HydrophobicContact CG-CH2 3.74Å; Q90-W92 HydrophobicContact CG-CZ2 3.44Å; Q90-W92 VanDerWaalsContact CG-CZ2 3.44Å; Q90-W92 HydrophobicContact CG-CZ3 4Å; Q90-W92 VanDerWaalsContact NE2-NE1 3.12Å; Q90-W92 PolarHBondContact O-N 2.88Å; Q90-T93 WeakPolarHBondContact CB-OG1 3.44Å; Q90-T93 HydrophobicContact CG-CG2 4.36Å; Q90-T93 WeakPolarHBondContact CG-OG1 3.23Å; Q90-T93 PolarHBondContact O-N 2.87Å; Q90-T93 PolarHBondContact O-OG1 3.17Å; Q90-T93 PolarHBondContact OE1-OG1 3.25Å; Q90-N94 PolarHBondContact O-N 2.82Å; Q90-T95 PolarHBondContact N-O 3.18Å; Q90-T95 PolarHBondContact O-N 2.83Å; Q90-T95 VanDerWaalsContact O-N 3.07Å
91	P	95.6	Very high	98.3	Very high	74 Å²	74	60.1 Å²	60.1	48%	0.481	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.2	-38	-168.6	-27.8	36	0	0	0	114.3	E89 T93 N94	E89-P91 HydrophobicContact CG-CG 4.24Å; P91-T93 PolarHBondContact O-N 3.24Å; P91-T93 VanDerWaalsContact O-N 3.14Å; P91-N94 PolarHBondContact O-N 2.82Å; P91-N94 PolarHBondContact O-OD1 2.76Å
92	W	97.1	Very high	98.3	Very high	175 Å²	175	59.8 Å²	59.8	66%	0.663	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-70.3	-9.4	-177.8	63.3	91.1	0	0	0	114.1	Q90	Q90-W92 HydrophobicContact CG-CD2 3.73Å; Q90-W92 HydrophobicContact CG-CE3 4.02Å; Q90-W92 HydrophobicContact CG-CG 4.44Å; Q90-W92 HydrophobicContact CG-CH2 3.74Å; Q90-W92 HydrophobicContact CG-CZ2 3.44Å; Q90-W92 VanDerWaalsContact CG-CZ2 3.44Å; Q90-W92 HydrophobicContact CG-CZ3 4Å; Q90-W92 VanDerWaalsContact NE2-NE1 3.12Å; Q90-W92 PolarHBondContact O-N 2.88Å
93	T	97.9	Very high	98.3	Very high	66 Å²	66	57.7 Å²	57.7	41%	0.405	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-112.7	7.4	171.1	56.3	0	0	0	0	112.4	Q90 P91 T95	Q90-T93 WeakPolarHBondContact CB-OG1 3.44Å; Q90-T93 HydrophobicContact CG-CG2 4.36Å; Q90-T93 WeakPolarHBondContact CG-OG1 3.23Å; Q90-T93 PolarHBondContact O-N 2.87Å; Q90-T93 PolarHBondContact O-OG1 3.17Å; Q90-T93 PolarHBondContact OE1-OG1 3.25Å; P91-T93 PolarHBondContact O-N 3.24Å; P91-T93 VanDerWaalsContact O-N 3.14Å; T93-T95 PolarHBondContact O-N 3.35Å; T93-T95 PolarHBondContact OG1-OG1 2.76Å
94	N	96.8	Very high	98.2	Very high	159 Å²	159	65.3 Å²	65.3	85%	0.85	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.3	-172.2	-62.8	-40.9	0	0	0	113.4	Q90 P91	Q90-N94 PolarHBondContact O-N 2.82Å; P91-N94 PolarHBondContact O-N 2.82Å; P91-N94 PolarHBondContact O-OD1 2.76Å
95	T	98.2	Very high	98.2	Very high	47 Å²	47	69.4 Å²	69.4	29%	0.288	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.7	180	-52.3	0	0	0	0	109.8	Y88 E89 Q90 T93	Y88-T95 HydrophobicContact CD1-CG2 4.12Å; Y88-T95 HydrophobicContact CE1-CG2 4.06Å; E89-T95 CarbonylContact C-O 3.6Å; E89-T95 WeakPolarHBondContact CA-O 3.28Å; Q90-T95 PolarHBondContact N-O 3.18Å; Q90-T95 PolarHBondContact O-N 2.83Å; Q90-T95 VanDerWaalsContact O-N 3.07Å; T93-T95 PolarHBondContact O-N 3.35Å; T93-T95 PolarHBondContact OG1-OG1 2.76Å
96	F	98.4	Very high	98.2	Very high	61 Å²	61	70.1 Å²	70.1	27%	0.268	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	111.3	167.1	-175.5	-80.5	0	0	0	107.5	V11 K14 V87 E89 V98	V11-F96 HydrophobicContact CG1-CZ 4.38Å; K14-F96 HydrophobicContact CB-CD1 4.33Å; K14-F96 HydrophobicContact CB-CE1 3.64Å; K14-F96 HydrophobicContact CB-CE2 3.88Å; K14-F96 HydrophobicContact CB-CZ 3.37Å; K14-F96 HydrophobicContact CD-CD2 3.87Å; K14-F96 HydrophobicContact CD-CE2 3.64Å; K14-F96 HydrophobicContact CD-CG 4.47Å; K14-F96 HydrophobicContact CD-CZ 4.08Å; K14-F96 HydrophobicContact CG-CE2 4.43Å; K14-F96 HydrophobicContact CG-CZ 4.38Å; V87-F96 HydrophobicContact CB-CZ 4.44Å; V87-F96 HydrophobicContact CG1-CD1 4.29Å; V87-F96 HydrophobicContact CG1-CD2 4.01Å; V87-F96 HydrophobicContact CG1-CE1 3.88Å; V87-F96 HydrophobicContact CG1-CE2 3.59Å; V87-F96 HydrophobicContact CG1-CG 4.35Å; V87-F96 HydrophobicContact CG1-CZ 3.51Å; V87-F96 HydrophobicContact CG2-CE1 4.43Å; V87-F96 HydrophobicContact CG2-CZ 4.09Å; E89-F96 HydrophobicContact CB-CD2 4.25Å; E89-F96 HydrophobicContact CG-CD2 3.97Å; F96-V98 HydrophobicContact CE1-CG2 3.96Å
97	E	98.5	Very high	98.1	Very high	108 Å²	108	68.3 Å²	68.3	51%	0.505	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.6	-173.8	-173.1	179.4	176	0	0	110.4	V87 Y88 T99	V87-E97 CarbonylContact C-O 3.46Å; V87-E97 VanDerWaalsContact CA-O 3.25Å; V87-E97 WeakPolarHBondContact CA-O 3.25Å; Y88-E97 PolarHBondContact N-O 2.81Å; Y88-E97 PolarHBondContact O-N 3.17Å; E97-T99 HydrophobicContact CB-CG2 4.49Å; E97-T99 HydrophobicContact CG-CG2 4.03Å; E97-T99 PolarHBondContact O-N 2.86Å
98	V	98.7	Very high	98	Very high	21 Å²	21	71.7 Å²	71.7	13%	0.127	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	99.8	168.6	-178	0	0	0	0	108.1	D18 I85 K86 V87 F96 F101	D18-V98 HydrophobicContact CB-CG2 3.91Å; I85-V98 HydrophobicContact CG2-CG1 4.5Å; K86-V98 CarbonylContact O-C 3.57Å; V87-V98 HydrophobicContact CG2-CG2 4.36Å; F96-V98 HydrophobicContact CE1-CG2 3.96Å; V98-F101 HydrophobicContact CG1-CB 3.99Å; V98-F101 HydrophobicContact CG1-CD2 4Å
99	T	98.4	Very high	97.8	Very high	78 Å²	78	77.5 Å²	77.5	48%	0.479	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-23.8	-177	55.6	0	0	0	0	112.6	K86 E97	K86-T99 WeakPolarHBondContact CB-OG1 2.89Å; K86-T99 PolarHBondContact O-N 3.04Å; K86-T99 PolarHBondContact O-OG1 2.02Å; E97-T99 HydrophobicContact CB-CG2 4.49Å; E97-T99 HydrophobicContact CG-CG2 4.03Å; E97-T99 PolarHBondContact O-N 2.86Å
100	E	98.5	Very high	97.7	Very high	63 Å²	63	80.1 Å²	80.1	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	136	171.6	-166.7	-176.1	147.4	0	0	110.5	I85 K86 S102	I85-E100 CarbonylContact C-O 3.52Å; I85-E100 WeakPolarHBondContact CA-O 3.44Å; K86-E100 HydrophobicContact CB-CB 3.84Å; K86-E100 HydrophobicContact CD-CB 4.06Å; K86-E100 WeakPolarHBondContact CD-OE2 3.48Å; K86-E100 WeakPolarHBondContact CE-OE2 3.46Å; K86-E100 HydrophobicContact CG-CB 4.07Å; K86-E100 PolarHBondContact N-O 3.06Å; K86-E100 IonicContact NZ-OE2 2.79Å; K86-E100 PolarHBondContact NZ-OE2 2.71Å; K86-E100 PolarHBondContact O-N 2.7Å; E100-S102 PolarHBondContact OE1-OG 2.64Å
101	F	98.5	Very high	97.6	Very high	44 Å²	44	78.4 Å²	78.4	19%	0.193	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	83.2	168.1	-154.5	-52.3	0	0	0	109.1	S15 L16 R19 I53 C83 I85 V98 C103	S15-F101 WeakPolarHBondContact O-CE2 3.38Å; L16-F101 HydrophobicContact CD2-CZ 4.11Å; R19-F101 HydrophobicContact CB-CD2 4.04Å; R19-F101 HydrophobicContact CB-CE2 3.82Å; R19-F101 HydrophobicContact CB-CZ 4.22Å; R19-F101 HydrophobicContact CG-CE2 4.46Å; R19-F101 HydrophobicContact CG-CZ 4.42Å; I53-F101 HydrophobicContact CD1-CE1 4.07Å; I53-F101 HydrophobicContact CD1-CZ 4.28Å; C83-F101 HydrophobicContact CB-CD1 4.34Å; C83-F101 HydrophobicContact CB-CE1 3.83Å; I85-F101 HydrophobicContact CD1-CD2 4.46Å; I85-F101 HydrophobicContact CD1-CE1 4.26Å; I85-F101 HydrophobicContact CD1-CE2 3.79Å; I85-F101 HydrophobicContact CD1-CZ 3.66Å; I85-F101 HydrophobicContact CG1-CD1 4.27Å; I85-F101 HydrophobicContact CG1-CD2 4.09Å; I85-F101 HydrophobicContact CG1-CE1 4.07Å; I85-F101 HydrophobicContact CG1-CE2 3.9Å; I85-F101 HydrophobicContact CG1-CG 4.27Å; I85-F101 HydrophobicContact CG1-CZ 3.88Å; I85-F101 HydrophobicContact CG2-CD2 4.2Å; I85-F101 HydrophobicContact CG2-CE2 4.39Å; V98-F101 HydrophobicContact CG1-CB 3.99Å; V98-F101 HydrophobicContact CG1-CD2 4Å; F101-C103 VanDerWaalsContact CE1-SG 3.54Å
102	S	98.4	Very high	97.4	Very high	49 Å²	49	80.1 Å²	80.1	34%	0.343	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.7	-176.5	62.7	0	0	0	0	110.4	C83 T84 E100	C83-S102 CarbonylContact C-O 3.56Å; C83-S102 WeakPolarHBondContact CA-O 3.02Å; T84-S102 PolarHBondContact N-O 3.43Å; T84-S102 PolarHBondContact O-N 3.4Å; E100-S102 PolarHBondContact OE1-OG 2.64Å
103	C	98.5	Very high	97.3	Very high	36 Å²	36	79.6 Å²	79.6	24%	0.243	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.3	-174.7	-64.3	0	0	0	0	111.9	R19 E81 K82 C83 F101	R19-C103 PolarHBondContact NH1-SG 3.36Å; E81-C103 HydrophobicContact CB-CB 4.05Å; E81-C103 WeakPolarHBondContact OE1-CB 3.16Å; K82-C103 CarbonylContact O-C 3.57Å; K82-C103 WeakPolarHBondContact O-CA 3.1Å; C83-C103 HydrophobicContact CB-CB 4.16Å; C83-C103 WeakPolarHBondContact CB-SG 3.28Å; C83-C103 WeakPolarHBondContact SG-CB 3.26Å; C83-C103 CovalentContact SG-SG 2.04Å; C83-C103 PolarHBondContact SG-SG 3.27Å; F101-C103 VanDerWaalsContact CE1-SG 3.54Å
104	K	98.3	Very high	96.9	Very high	159 Å²	159	79.4 Å²	79.4	69%	0.691	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.8	169.3	-64.4	-175.1	-179.9	-178.8	0	109.4	E81 K82 A106	E81-K104 CarbonylContact C-O 3.49Å; E81-K104 VanDerWaalsContact CA-O 3.26Å; E81-K104 WeakPolarHBondContact CA-O 3.42Å; K82-K104 PolarHBondContact N-O 3.14Å; K82-K104 PolarHBondContact O-N 3.29Å; K104-A106 PolarHBondContact O-N 3.11Å
105	P	98.3	Very high	96.9	Very high	124 Å²	124	75.4 Å²	75.4	81%	0.805	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	138.1	174.2	-25.8	34.6	0	0	0	111.6
106	A	98.4	Very high	96.8	Very high	16 Å²	16	76.9 Å²	76.9	13%	0.132	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-171.6	176.7	0	0	0	0	0	109.7	Y52 A80 K82 K104	Y52-A106 HydrophobicContact CD1-CB 3.98Å; Y52-A106 HydrophobicContact CE1-CB 3.69Å; A80-A106 HydrophobicContact CB-CB 4.41Å; A80-A106 PolarHBondContact N-O 3.38Å; A80-A106 CarbonylContact O-C 3.32Å; A80-A106 WeakPolarHBondContact O-CA 3.17Å; A80-A106 PolarHBondContact O-N 2.82Å; K82-A106 HydrophobicContact CB-CB 4.35Å; K104-A106 PolarHBondContact O-N 3.11Å
107	T	97.7	Very high	96.7	Very high	45 Å²	45	77.8 Å²	77.8	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.1	172.7	64.2	0	0	0	0	112.1	N78 A80 R109 E110 A111	N78-T107 CarbonylContact O-C 3.58Å; N78-T107 VanDerWaalsContact O-CA 3.26Å; N78-T107 WeakPolarHBondContact O-CA 3.48Å; A80-T107 VanDerWaalsContact CB-C 3.45Å; T107-R109 PolarHBondContact O-N 3Å; T107-E110 WeakPolarHBondContact O-CB 3.43Å; T107-E110 PolarHBondContact O-N 2.97Å; T107-E110 WeakPolarHBondContact OG1-CB 3.44Å; T107-E110 PolarHBondContact OG1-N 3.21Å; T107-E110 VanDerWaalsContact OG1-N 3.17Å; T107-A111 PolarHBondContact O-N 3.18Å
108	R	95.2	Very high	96.6	Very high	72 Å²	72	76 Å²	76	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-56.9	-39.1	173.2	-176.8	178.9	174.3	-173.3	-1.4	111	N75 G77 N78 E110 A111 L112	N75-R108 PolarHBondContact O-NH1 3.29Å; G77-R108 WeakPolarHBondContact O-CD 3.41Å; N78-R108 PolarHBondContact O-N 3.32Å; N78-R108 PolarHBondContact OD1-N 2.84Å; R108-E110 VanDerWaalsContact C-N 3.31Å; R108-E110 PolarHBondContact O-N 3.44Å; R108-A111 PolarHBondContact O-N 2.89Å; R108-L112 HydrophobicContact CG-CD1 4.06Å; R108-L112 HydrophobicContact CG-CG 4.38Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.34Å
109	R	95.2	Very high	96.5	Very high	168 Å²	168	79.4 Å²	79.4	63%	0.634	41%	0.409	S	S	*	.	H	α-helix	trans	-59.3	-39.2	174.7	-173	179.4	69.4	168.3	-0.2	113.1	N78 T107 K113	N78-R109 PolarHBondContact OD1-N 2.73Å; N78-R109 VanDerWaalsContact OD1-N 3.14Å; T107-R109 PolarHBondContact O-N 3Å; R109-K113 WeakPolarHBondContact O-CG 3.26Å
110	E	96.5	Very high	96.3	Very high	81 Å²	81	79.5 Å²	79.5	38%	0.379	40%	0.404	S	S	.	.	H	α-helix	trans	-67.9	-48.1	174.7	-177	-167.3	145.3	0	0	110.8	Y52 T107 R108 L112 K113 A114	Y52-E110 HydrophobicContact CE1-CG 4.26Å; Y52-E110 WeakPolarHBondContact CE1-OE1 3.47Å; Y52-E110 PolarHBondContact OH-OE1 3.05Å; T107-E110 WeakPolarHBondContact O-CB 3.43Å; T107-E110 PolarHBondContact O-N 2.97Å; T107-E110 WeakPolarHBondContact OG1-CB 3.44Å; T107-E110 PolarHBondContact OG1-N 3.21Å; T107-E110 VanDerWaalsContact OG1-N 3.17Å; R108-E110 VanDerWaalsContact C-N 3.31Å; R108-E110 PolarHBondContact O-N 3.44Å; E110-L112 VanDerWaalsContact C-N 3.27Å; E110-L112 PolarHBondContact O-N 2.86Å; E110-K113 PolarHBondContact O-N 3.41Å; E110-A114 PolarHBondContact O-N 3.05Å
111	A	96.1	Very high	96.2	Very high	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-55.8	-39.3	179.9	0	0	0	0	0	113.5	I32 Y52 T107 R108 K113	I32-A111 HydrophobicContact CB-CB 4.42Å; I32-A111 HydrophobicContact CD1-CB 4.28Å; I32-A111 HydrophobicContact CG2-CB 3.8Å; Y52-A111 VanDerWaalsContact CB-CB 3.43Å; Y52-A111 HydrophobicContact CD1-CB 3.6Å; Y52-A111 HydrophobicContact CD2-CB 3.88Å; Y52-A111 HydrophobicContact CE1-CB 4.28Å; Y52-A111 HydrophobicContact CG-CB 3.36Å; T107-A111 PolarHBondContact O-N 3.18Å; R108-A111 PolarHBondContact O-N 2.89Å; A111-K113 VanDerWaalsContact C-N 3.32Å
112	L	92.7	Very high	96	Very high	110 Å²	110	83.5 Å²	83.5	58%	0.576	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.9	180	-66.2	174.6	0	0	0	113.8	I32 R108 E110	I32-L112 HydrophobicContact CG2-CD2 4.23Å; R108-L112 HydrophobicContact CG-CD1 4.06Å; R108-L112 HydrophobicContact CG-CG 4.38Å; R108-L112 VanDerWaalsContact O-CG 3.31Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.34Å; E110-L112 VanDerWaalsContact C-N 3.27Å; E110-L112 PolarHBondContact O-N 2.86Å
113	K	93.7	Very high	95.8	Very high	164 Å²	164	86.4 Å²	86.4	71%	0.713	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-16.4	178.2	-71.7	-178.6	178.9	-167.7	0	113.6	R109 E110 A111	R109-K113 WeakPolarHBondContact O-CG 3.26Å; E110-K113 PolarHBondContact O-N 3.41Å; A111-K113 VanDerWaalsContact C-N 3.32Å
114	A	89.2	Confident	95.6	Very high	62 Å²	62	91 Å²	91	51%	0.512	45%	0.454	S	S	.	.			trans	-66.1	0	174.1	0	0	0	0	0	111.8	K33 V35 Y52 E110	K33-A114 WeakPolarHBondContact CE-O 3.32Å; K33-A114 PolarHBondContact NZ-O 3.2Å; V35-A114 HydrophobicContact CG2-CB 4.19Å; Y52-A114 HydrophobicContact CD2-CB 4.3Å; Y52-A114 HydrophobicContact CE2-CB 3.55Å; E110-A114 PolarHBondContact O-N 3.05Å

Retrieved 114 of 114 residues in 132.2 ms (Link to these results)

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