A0A077Z1R1_TRITR Loading...

Selenoprotein F

AlphaFold DB , UniProt , Accession A0A077Z1R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077Z1R1_TRITR|A0A077Z1R1
MTKEECRDAGFTINLLCSSCDDLAQFKLDALEPTCRQCCQKDVGESKYPTAILEVCGSLCYASYFLAFVKSVDLKRWPGLLVQYVRGADPTIKLVDEKGNIAETLGIDNWNTDSVIEFLNMRLIR
					

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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	76.2	Confident	89.4	Confident	105 Å²	105	94.6 Å²	94.6	52%	0.517	50%	0.497	S	S	.	.				0	135.1	0	-144	81.7	102.5	0	0	108.8	E5 C6 T34 Q37	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.8Å; M1-E5 HydrophobicContact SD-CB 4.14Å; M1-C6 VanDerWaalsContact CG-SG 3.52Å; M1-T34 HydrophobicContact CE-CG2 3.7Å; M1-Q37 HydrophobicContact CB-CB 4.27Å; M1-Q37 HydrophobicContact CE-CB 3.84Å
2	T	86.2	Confident	89.5	Confident	70 Å²	70	94.5 Å²	94.5	43%	0.429	50%	0.503	S	S	.	.			trans	-90.4	164.9	171.3	67.6	0	0	0	0	110.4	E4 E5 C6	T2-E4 PolarHBondContact O-N 3.44Å; T2-E5 PolarHBondContact N-OE2 3.31Å; T2-E5 PolarHBondContact O-N 3.49Å; T2-E5 VanDerWaalsContact OG1-CG 3.3Å; T2-E5 WeakPolarHBondContact OG1-CG 3.35Å; T2-E5 PolarHBondContact OG1-N 3Å; T2-E5 PolarHBondContact OG1-OE2 2.97Å; T2-C6 PolarHBondContact O-N 3.32Å; T2-C6 VanDerWaalsContact O-N 3.16Å; T2-C6 PolarHBondContact O-SG 3.38Å
3	K	85.7	Confident	89.1	Confident	154 Å²	154	92.5 Å²	92.5	67%	0.67	49%	0.491	S	S	*	.	H	α-helix	trans	-61	-30	177.9	-72	-171.9	179.9	-173.3	0	113	R7 I13	K3-R7 PolarHBondContact O-N 3.48Å; K3-I13 HydrophobicContact CB-CG2 3.84Å; K3-I13 HydrophobicContact CD-CG2 4.32Å; K3-I13 HydrophobicContact CG-CG2 4.23Å
4	E	90.7	Very high	88.9	Confident	149 Å²	149	94 Å²	94	70%	0.696	50%	0.499	S	S	*	.	H	α-helix	trans	-76.1	-45.1	-180	-69.1	161.6	158.6	0	0	110.9	T2 C6 R7 D8	T2-E4 PolarHBondContact O-N 3.44Å; E4-C6 VanDerWaalsContact C-N 3.26Å; E4-C6 PolarHBondContact O-N 2.99Å; E4-R7 WeakPolarHBondContact O-CA 2.95Å; E4-R7 WeakPolarHBondContact O-CB 2.92Å; E4-R7 PolarHBondContact O-N 3.29Å; E4-D8 PolarHBondContact O-N 3.38Å
5	E	91.7	Very high	89	Confident	95 Å²	95	89.2 Å²	89.2	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-57.5	-39	174.2	-72.8	171.4	154.4	0	0	112.2	M1 T2 R7 D8 A9	M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CG-CB 3.8Å; M1-E5 HydrophobicContact SD-CB 4.14Å; T2-E5 PolarHBondContact N-OE2 3.31Å; T2-E5 PolarHBondContact O-N 3.49Å; T2-E5 VanDerWaalsContact OG1-CG 3.3Å; T2-E5 WeakPolarHBondContact OG1-CG 3.35Å; T2-E5 PolarHBondContact OG1-N 3Å; T2-E5 PolarHBondContact OG1-OE2 2.97Å; E5-R7 VanDerWaalsContact C-N 3.33Å; E5-R7 PolarHBondContact O-N 3.3Å; E5-D8 PolarHBondContact O-N 3.28Å; E5-A9 WeakPolarHBondContact O-CB 3.3Å; E5-A9 PolarHBondContact O-N 2.98Å
6	C	93.4	Very high	89.1	Confident	6 Å²	6	88.2 Å²	88.2	4%	0.041	47%	0.468	C	S	.	.	H	α-helix	trans	-64.7	-37.6	174.9	-72.1	0	0	0	0	113.1	M1 T2 E4 A9 G10 F11 C38	M1-C6 VanDerWaalsContact CG-SG 3.52Å; T2-C6 PolarHBondContact O-N 3.32Å; T2-C6 VanDerWaalsContact O-N 3.16Å; T2-C6 PolarHBondContact O-SG 3.38Å; E4-C6 VanDerWaalsContact C-N 3.26Å; E4-C6 PolarHBondContact O-N 2.99Å; C6-A9 PolarHBondContact O-N 3.35Å; C6-G10 PolarHBondContact O-N 3.44Å; C6-F11 HydrophobicContact CB-CB 4.47Å; C6-F11 WeakPolarHBondContact O-CA 3.41Å; C6-F11 WeakPolarHBondContact O-CB 3.47Å; C6-F11 PolarHBondContact O-N 2.03Å; C6-C38 WeakPolarHBondContact CA-SG 3.48Å; C6-C38 HydrophobicContact CB-CB 3.7Å; C6-C38 WeakPolarHBondContact CB-SG 3.41Å; C6-C38 WeakPolarHBondContact SG-CA 3.47Å; C6-C38 WeakPolarHBondContact SG-CB 3.18Å; C6-C38 CovalentContact SG-SG 2.03Å; C6-C38 PolarHBondContact SG-SG 3.07Å
7	R	92	Very high	89.2	Confident	170 Å²	170	84.3 Å²	84.3	64%	0.642	45%	0.449	S	S	*	.	H	α-helix	trans	-68	-41.3	178.1	-132.8	-179.6	-176.7	173	0.4	111.4	K3 E4 E5 A9 G10 F11	K3-R7 PolarHBondContact O-N 3.48Å; E4-R7 WeakPolarHBondContact O-CA 2.95Å; E4-R7 WeakPolarHBondContact O-CB 2.92Å; E4-R7 PolarHBondContact O-N 3.29Å; E5-R7 VanDerWaalsContact C-N 3.33Å; E5-R7 PolarHBondContact O-N 3.3Å; R7-A9 VanDerWaalsContact C-N 3.29Å; R7-A9 PolarHBondContact O-N 3.16Å; R7-G10 WeakPolarHBondContact O-CA 3.26Å; R7-G10 PolarHBondContact O-N 2.71Å; R7-F11 WeakPolarHBondContact CA-O 3.36Å
8	D	92.8	Very high	89.1	Confident	148 Å²	148	82.2 Å²	82.2	79%	0.791	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-32.4	175.9	-73	-7	0	0	0	112	E4 E5 G10	E4-D8 PolarHBondContact O-N 3.38Å; E5-D8 PolarHBondContact O-N 3.28Å; D8-G10 PolarHBondContact O-N 3.34Å
9	A	90.1	Very high	89.1	Confident	50 Å²	50	80.5 Å²	80.5	41%	0.413	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-1.3	170.4	0	0	0	0	0	113.9	E5 C6 R7 F11 T34	E5-A9 WeakPolarHBondContact O-CB 3.3Å; E5-A9 PolarHBondContact O-N 2.98Å; C6-A9 PolarHBondContact O-N 3.35Å; R7-A9 VanDerWaalsContact C-N 3.29Å; R7-A9 PolarHBondContact O-N 3.16Å; A9-F11 HydrophobicContact CB-CD2 3.91Å; A9-F11 HydrophobicContact CB-CE2 4.19Å; A9-T34 HydrophobicContact CB-CG2 4.05Å
10	G	91.6	Very high	89.3	Confident	69 Å²	69	76.6 Å²	76.6	71%	0.711	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	6.6	177.1	0	0	0	0	0	115.3	C6 R7 D8	C6-G10 PolarHBondContact O-N 3.44Å; R7-G10 WeakPolarHBondContact O-CA 3.26Å; R7-G10 PolarHBondContact O-N 2.71Å; D8-G10 PolarHBondContact O-N 3.34Å
11	F	93.3	Very high	89.3	Confident	25 Å²	25	77.2 Å²	77.2	11%	0.11	42%	0.42	C	S	.	.			trans	-90.7	149.8	178.6	-64.6	-77.4	0	0	0	112.5	C6 R7 A9 L15 L31 T34 C35 C38	C6-F11 HydrophobicContact CB-CB 4.47Å; C6-F11 WeakPolarHBondContact O-CA 3.41Å; C6-F11 WeakPolarHBondContact O-CB 3.47Å; C6-F11 PolarHBondContact O-N 2.03Å; R7-F11 WeakPolarHBondContact CA-O 3.36Å; A9-F11 HydrophobicContact CB-CD2 3.91Å; A9-F11 HydrophobicContact CB-CE2 4.19Å; F11-L15 HydrophobicContact CB-CD2 4.12Å; F11-L15 HydrophobicContact CD1-CD2 3.43Å; F11-L15 VanDerWaalsContact CD1-CD2 3.43Å; F11-L15 HydrophobicContact CE1-CD2 4.13Å; F11-L15 HydrophobicContact CG-CD2 4Å; F11-L31 HydrophobicContact CZ-CB 4.32Å; F11-T34 HydrophobicContact CD2-CG2 4.28Å; F11-T34 HydrophobicContact CE2-CG2 3.6Å; F11-C35 HydrophobicContact CE1-CB 3.65Å; F11-C35 HydrophobicContact CZ-CB 3.81Å; F11-C38 HydrophobicContact CB-CB 4.17Å; F11-C38 HydrophobicContact CD2-CB 4.3Å; F11-C38 HydrophobicContact CG-CB 4.24Å
12	T	89.7	Confident	89.9	Confident	93 Å²	93	76.3 Å²	76.3	57%	0.571	42%	0.417	S	S	*	.			trans	-79	145.6	172	57.6	0	0	0	0	110.6	N14 L15	T12-N14 PolarHBondContact O-N 2.86Å; T12-N14 VanDerWaalsContact O-N 3.14Å; T12-L15 VanDerWaalsContact O-CB 3.28Å; T12-L15 WeakPolarHBondContact O-CB 3.42Å; T12-L15 PolarHBondContact O-N 3.38Å; T12-L15 VanDerWaalsContact O-N 3.16Å
13	I	85.3	Confident	90.3	Very high	69 Å²	69	74 Å²	74	35%	0.354	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.7	179.2	38	171.1	0	0	0	114.7	K3	K3-I13 HydrophobicContact CB-CG2 3.84Å; K3-I13 HydrophobicContact CD-CG2 4.32Å; K3-I13 HydrophobicContact CG-CG2 4.23Å
14	N	86.3	Confident	90.4	Very high	113 Å²	113	69.5 Å²	69.5	60%	0.604	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	15.9	178.5	-65.9	-23.8	0	0	0	112.7	T12 L16 Q40	T12-N14 PolarHBondContact O-N 2.86Å; T12-N14 VanDerWaalsContact O-N 3.14Å; N14-L16 PolarHBondContact O-N 3.44Å; N14-Q40 VanDerWaalsContact C-NE2 3.34Å; N14-Q40 VanDerWaalsContact CA-NE2 3.26Å; N14-Q40 PolarHBondContact O-NE2 3.28Å; N14-Q40 VanDerWaalsContact O-NE2 3.13Å
15	L	89.5	Confident	90.5	Very high	22 Å²	22	68.3 Å²	68.3	12%	0.115	39%	0.387	C	S	.	.			trans	-54.5	127.7	-178.4	-175.2	70.7	0	0	0	111.7	F11 T12 C35 C38 C39 Q40	F11-L15 HydrophobicContact CB-CD2 4.12Å; F11-L15 HydrophobicContact CD1-CD2 3.43Å; F11-L15 VanDerWaalsContact CD1-CD2 3.43Å; F11-L15 HydrophobicContact CE1-CD2 4.13Å; F11-L15 HydrophobicContact CG-CD2 4Å; T12-L15 VanDerWaalsContact O-CB 3.28Å; T12-L15 WeakPolarHBondContact O-CB 3.42Å; T12-L15 PolarHBondContact O-N 3.38Å; T12-L15 VanDerWaalsContact O-N 3.16Å; L15-C35 VanDerWaalsContact CD2-SG 3.59Å; L15-C38 HydrophobicContact CD2-CB 4.28Å; L15-C39 HydrophobicContact CD2-CB 4.17Å; L15-C39 HydrophobicContact CG-CB 4.17Å; L15-C39 CarbonylContact O-C 3.56Å; L15-C39 VanDerWaalsContact O-CA 3.26Å; L15-C39 WeakPolarHBondContact O-CA 3.36Å; L15-Q40 WeakPolarHBondContact O-CG 3.42Å; L15-Q40 PolarHBondContact O-N 3.36Å
16	L	90.7	Very high	90.6	Very high	73 Å²	73	70.3 Å²	70.3	38%	0.382	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-89.3	145.8	174.5	-67	174.1	0	0	0	110	N14 S18 S19 D42	N14-L16 PolarHBondContact O-N 3.44Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 VanDerWaalsContact O-N 3.16Å; L16-D42 WeakPolarHBondContact CB-OD1 3.39Å
17	C	90.4	Very high	90.4	Very high	22 Å²	22	78.6 Å²	78.6	15%	0.149	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.8	-177.2	-66.4	0	0	0	0	112.9	S19 C20 C39 Q40 D42	C17-S19 PolarHBondContact O-N 3.11Å; C17-C20 VanDerWaalsContact O-CB 3.25Å; C17-C20 WeakPolarHBondContact O-CB 3.41Å; C17-C20 PolarHBondContact O-N 3.03Å; C17-C39 WeakPolarHBondContact CA-SG 3.31Å; C17-C39 HydrophobicContact CB-CB 3.84Å; C17-C39 WeakPolarHBondContact CB-SG 3.37Å; C17-C39 WeakPolarHBondContact SG-CB 3.4Å; C17-C39 CovalentContact SG-SG 2.04Å; C17-C39 PolarHBondContact SG-SG 2.98Å; C17-Q40 PolarHBondContact N-O 3.44Å; C17-Q40 PolarHBondContact SG-O 2.92Å; C17-D42 VanDerWaalsContact CA-OD2 3.31Å; C17-D42 WeakPolarHBondContact CA-OD2 3.28Å; C17-D42 WeakPolarHBondContact CB-OD2 3.41Å; C17-D42 PolarHBondContact N-OD2 2.92Å
18	S	87.5	Confident	90.4	Very high	46 Å²	46	74.1 Å²	74.1	32%	0.322	42%	0.419	S	S	.	.	H	α-helix	trans	-56	-37.7	169.9	53	0	0	0	0	112.2	L16 C20 D21 D22 D42	L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 3.21Å; S18-C20 PolarHBondContact O-N 3.41Å; S18-D21 WeakPolarHBondContact O-CB 3.08Å; S18-D21 PolarHBondContact O-N 3.34Å; S18-D21 VanDerWaalsContact O-N 3.07Å; S18-D22 PolarHBondContact O-N 3.14Å; S18-D42 VanDerWaalsContact CB-OD1 3.26Å; S18-D42 WeakPolarHBondContact CB-OD1 3.26Å; S18-D42 PolarHBondContact N-OD2 2.61Å; S18-D42 PolarHBondContact OG-OD1 2.81Å
19	S	89.6	Confident	90.3	Very high	51 Å²	51	71.3 Å²	71.3	36%	0.357	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-21	175.9	-52.3	0	0	0	0	113.1	L16 C17	L16-S19 WeakPolarHBondContact O-CB 3.29Å; L16-S19 PolarHBondContact O-N 3.08Å; L16-S19 VanDerWaalsContact O-N 3.16Å; C17-S19 PolarHBondContact O-N 3.11Å
20	C	93	Very high	90.4	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.007	42%	0.42	C	S	.	.	H	α-helix	trans	-75.3	-32.1	173.7	-55.9	0	0	0	0	112	C17 S18 D22 L23 C35 R36	C17-C20 VanDerWaalsContact O-CB 3.25Å; C17-C20 WeakPolarHBondContact O-CB 3.41Å; C17-C20 PolarHBondContact O-N 3.03Å; S18-C20 PolarHBondContact O-N 3.41Å; C20-D22 PolarHBondContact O-N 3.1Å; C20-L23 WeakPolarHBondContact O-CB 3.19Å; C20-L23 PolarHBondContact O-N 2.98Å; C20-C35 WeakPolarHBondContact CA-SG 3.43Å; C20-C35 HydrophobicContact CB-CB 3.82Å; C20-C35 WeakPolarHBondContact CB-SG 3.26Å; C20-C35 WeakPolarHBondContact SG-CB 3.48Å; C20-C35 PolarHBondContact SG-O 2.88Å; C20-C35 CovalentContact SG-SG 2.03Å; C20-C35 PolarHBondContact SG-SG 3.18Å; C20-R36 HydrophobicContact CB-CG 4.48Å
21	D	89	Confident	90.4	Very high	91 Å²	91	73.6 Å²	73.6	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-31.5	177.1	-59.2	-45.9	0	0	0	111	S18 L23 R36	S18-D21 WeakPolarHBondContact O-CB 3.08Å; S18-D21 PolarHBondContact O-N 3.34Å; S18-D21 VanDerWaalsContact O-N 3.07Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 2.78Å; D21-R36 IonicContact OD1-CZ 3.2Å; D21-R36 IonicContact OD1-NH1 3.06Å; D21-R36 PolarHBondContact OD1-NH1 3.27Å; D21-R36 IonicContact OD1-NH2 2.65Å; D21-R36 PolarHBondContact OD1-NH2 3.24Å; D21-R36 IonicContact OD2-NH1 3.93Å
22	D	90	Very high	90.4	Very high	85 Å²	85	76 Å²	76	46%	0.455	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-72.1	-15.2	178.3	-80.7	-31.8	0	0	0	114.5	S18 C20 A24 Q25 F26	S18-D22 PolarHBondContact O-N 3.14Å; C20-D22 PolarHBondContact O-N 3.1Å; D22-A24 PolarHBondContact O-N 3.26Å; D22-Q25 WeakPolarHBondContact O-CG 3.47Å; D22-Q25 PolarHBondContact O-N 3.17Å; D22-Q25 PolarHBondContact O-NE2 3.14Å; D22-Q25 PolarHBondContact OD1-NE2 3.16Å; D22-F26 WeakPolarHBondContact O-CD2 3.02Å
23	L	93	Very high	90.6	Very high	23 Å²	23	75.2 Å²	75.2	12%	0.12	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-62.7	-31	-174.5	-72.8	171.1	0	0	0	113	C20 D21 Q25 F26 K27 L28 L31 E32 C35	C20-L23 WeakPolarHBondContact O-CB 3.19Å; C20-L23 PolarHBondContact O-N 2.98Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 2.78Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 PolarHBondContact O-N 3.49Å; L23-F26 PolarHBondContact O-N 2.85Å; L23-F26 VanDerWaalsContact O-N 3.13Å; L23-K27 PolarHBondContact O-N 3.25Å; L23-L28 HydrophobicContact CB-CB 4.19Å; L23-L28 HydrophobicContact CD2-CB 3.9Å; L23-L28 HydrophobicContact CD2-CD1 4.14Å; L23-L28 PolarHBondContact O-N 3.44Å; L23-L31 HydrophobicContact CD1-CB 4.14Å; L23-E32 HydrophobicContact CD1-CB 4.5Å; L23-C35 HydrophobicContact CD1-CB 3.77Å
24	A	89.7	Confident	91	Very high	59 Å²	59	74.1 Å²	74.1	49%	0.488	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-63.9	-33.4	-178.2	0	0	0	0	0	112.6	D22 F26 K27 D29	D22-A24 PolarHBondContact O-N 3.26Å; A24-F26 PolarHBondContact O-N 2.03Å; A24-K27 PolarHBondContact O-N 2.88Å; A24-K27 VanDerWaalsContact O-N 3.1Å; A24-D29 VanDerWaalsContact CA-OD1 3.25Å; A24-D29 WeakPolarHBondContact CA-OD1 3.37Å
25	Q	92	Very high	91.4	Very high	123 Å²	123	68.8 Å²	68.8	58%	0.575	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24	179.2	87.9	-163.5	-57.3	0	0	112.3	D22 L23	D22-Q25 WeakPolarHBondContact O-CG 3.47Å; D22-Q25 PolarHBondContact O-N 3.17Å; D22-Q25 PolarHBondContact O-NE2 3.14Å; D22-Q25 PolarHBondContact OD1-NE2 3.16Å; L23-Q25 VanDerWaalsContact C-N 3.27Å; L23-Q25 PolarHBondContact O-N 3.49Å
26	F	93.5	Very high	91.5	Very high	138 Å²	138	73 Å²	73	61%	0.605	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-101.2	8.1	179.1	-56.3	-65.1	0	0	0	113	D22 L23 A24 L28	D22-F26 WeakPolarHBondContact O-CD2 3.02Å; L23-F26 PolarHBondContact O-N 2.85Å; L23-F26 VanDerWaalsContact O-N 3.13Å; A24-F26 PolarHBondContact O-N 2.03Å; F26-L28 HydrophobicContact CB-CD1 4.1Å; F26-L28 HydrophobicContact CB-CG 4.24Å; F26-L28 PolarHBondContact O-N 3.33Å
27	K	89.7	Confident	91.6	Very high	179 Å²	179	75.4 Å²	75.4	78%	0.778	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	37.1	-175.3	-52.1	-179.7	179	-178.9	0	112.7	L23 A24	L23-K27 PolarHBondContact O-N 3.25Å; A24-K27 PolarHBondContact O-N 2.88Å; A24-K27 VanDerWaalsContact O-N 3.1Å
28	L	91.9	Very high	91.8	Very high	77 Å²	77	75.1 Å²	75.1	40%	0.403	40%	0.403	S	S	.	.			trans	-107.5	28.4	176.8	-67.7	173.4	0	0	0	111.3	L23 F26 A30 L31	L23-L28 HydrophobicContact CB-CB 4.19Å; L23-L28 HydrophobicContact CD2-CB 3.9Å; L23-L28 HydrophobicContact CD2-CD1 4.14Å; L23-L28 PolarHBondContact O-N 3.44Å; F26-L28 HydrophobicContact CB-CD1 4.1Å; F26-L28 HydrophobicContact CB-CG 4.24Å; F26-L28 PolarHBondContact O-N 3.33Å; L28-A30 PolarHBondContact O-N 3.4Å; L28-A30 VanDerWaalsContact O-N 3.11Å; L28-L31 HydrophobicContact CB-CD1 4.3Å; L28-L31 HydrophobicContact CD2-CD1 4.15Å; L28-L31 WeakPolarHBondContact O-CB 3.48Å; L28-L31 PolarHBondContact O-N 3.03Å
29	D	90	Very high	92	Very high	89 Å²	89	73.8 Å²	73.8	48%	0.476	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-56.7	-33.1	-174.3	-26	-89.2	0	0	0	111.7	A24 L31 E32	A24-D29 VanDerWaalsContact CA-OD1 3.25Å; A24-D29 WeakPolarHBondContact CA-OD1 3.37Å; D29-L31 PolarHBondContact O-N 3.27Å; D29-L31 VanDerWaalsContact O-N 3.14Å; D29-E32 WeakPolarHBondContact O-CB 3.25Å; D29-E32 PolarHBondContact O-N 3.23Å; D29-E32 VanDerWaalsContact O-N 3.08Å
30	A	92.3	Very high	91.9	Very high	92 Å²	92	75.7 Å²	75.7	76%	0.76	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.9	177.3	0	0	0	0	0	113.8	L28	L28-A30 PolarHBondContact O-N 3.4Å; L28-A30 VanDerWaalsContact O-N 3.11Å
31	L	92.8	Very high	91.2	Very high	74 Å²	74	84.5 Å²	84.5	39%	0.387	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-89.5	-14.5	178.7	-63.4	178.6	0	0	0	113.1	F11 L23 L28 D29 T34 C35	F11-L31 HydrophobicContact CZ-CB 4.32Å; L23-L31 HydrophobicContact CD1-CB 4.14Å; L28-L31 HydrophobicContact CB-CD1 4.3Å; L28-L31 HydrophobicContact CD2-CD1 4.15Å; L28-L31 WeakPolarHBondContact O-CB 3.48Å; L28-L31 PolarHBondContact O-N 3.03Å; D29-L31 PolarHBondContact O-N 3.27Å; D29-L31 VanDerWaalsContact O-N 3.14Å; L31-T34 PolarHBondContact O-N 3.13Å; L31-C35 VanDerWaalsContact O-CB 3.29Å; L31-C35 WeakPolarHBondContact O-CB 3.17Å; L31-C35 PolarHBondContact O-N 3.19Å
32	E	93.5	Very high	90.4	Very high	76 Å²	76	82.5 Å²	82.5	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-53.1	-44.8	-177.5	-161.2	-147	151.1	0	0	113	L23 D29 T34 C35 R36	L23-E32 HydrophobicContact CD1-CB 4.5Å; D29-E32 WeakPolarHBondContact O-CB 3.25Å; D29-E32 PolarHBondContact O-N 3.23Å; D29-E32 VanDerWaalsContact O-N 3.08Å; E32-T34 PolarHBondContact O-N 3.34Å; E32-C35 WeakPolarHBondContact O-CB 3.25Å; E32-C35 PolarHBondContact O-N 3.13Å; E32-R36 HydrophobicContact CG-CG 4.28Å; E32-R36 WeakPolarHBondContact O-CB 3.07Å; E32-R36 WeakPolarHBondContact O-CG 3.39Å; E32-R36 PolarHBondContact O-N 3.35Å; E32-R36 IonicContact OE1-CZ 3.41Å; E32-R36 IonicContact OE1-NE 2.98Å; E32-R36 PolarHBondContact OE1-NE 3.05Å; E32-R36 IonicContact OE1-NH2 2.92Å; E32-R36 PolarHBondContact OE1-NH2 2.04Å
33	P	93.7	Very high	89	Confident	77 Å²	77	85.1 Å²	85.1	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-42.9	-178.6	-20.7	32.5	0	0	0	112.5	Q37	P33-Q37 WeakPolarHBondContact O-CG 3.07Å; P33-Q37 PolarHBondContact O-N 2.81Å
34	T	93.4	Very high	87.2	Confident	45 Å²	45	85.4 Å²	85.4	28%	0.276	45%	0.451	S	S	.	.	H	α-helix	trans	-71.8	-38.8	178.3	-46.1	0	0	0	0	110.7	M1 A9 F11 L31 E32 R36 Q37 C38	M1-T34 HydrophobicContact CE-CG2 3.7Å; A9-T34 HydrophobicContact CB-CG2 4.05Å; F11-T34 HydrophobicContact CD2-CG2 4.28Å; F11-T34 HydrophobicContact CE2-CG2 3.6Å; L31-T34 PolarHBondContact O-N 3.13Å; E32-T34 PolarHBondContact O-N 3.34Å; T34-R36 VanDerWaalsContact C-N 3.34Å; T34-R36 PolarHBondContact O-N 3.37Å; T34-Q37 PolarHBondContact O-N 3.06Å; T34-Q37 VanDerWaalsContact O-N 3.17Å; T34-C38 PolarHBondContact O-N 3.16Å
35	C	94	Very high	85.9	Confident	2 Å²	2	87.9 Å²	87.9	1%	0.014	45%	0.453	C	S	.	.	H	α-helix	trans	-56.9	-47.8	174.4	-171.7	0	0	0	0	111	F11 L15 C20 L23 L31 E32 Q37 C38 C39	F11-C35 HydrophobicContact CE1-CB 3.65Å; F11-C35 HydrophobicContact CZ-CB 3.81Å; L15-C35 VanDerWaalsContact CD2-SG 3.59Å; C20-C35 WeakPolarHBondContact CA-SG 3.43Å; C20-C35 HydrophobicContact CB-CB 3.82Å; C20-C35 WeakPolarHBondContact CB-SG 3.26Å; C20-C35 WeakPolarHBondContact SG-CB 3.48Å; C20-C35 PolarHBondContact SG-O 2.88Å; C20-C35 CovalentContact SG-SG 2.03Å; C20-C35 PolarHBondContact SG-SG 3.18Å; L23-C35 HydrophobicContact CD1-CB 3.77Å; L31-C35 VanDerWaalsContact O-CB 3.29Å; L31-C35 WeakPolarHBondContact O-CB 3.17Å; L31-C35 PolarHBondContact O-N 3.19Å; E32-C35 WeakPolarHBondContact O-CB 3.25Å; E32-C35 PolarHBondContact O-N 3.13Å; C35-Q37 PolarHBondContact O-N 2.98Å; C35-C38 CarbonylContact O-C 3.56Å; C35-C38 PolarHBondContact O-N 3.4Å; C35-C39 WeakPolarHBondContact O-CB 3.14Å; C35-C39 PolarHBondContact O-N 3.21Å
36	R	92.8	Very high	84.8	Confident	110 Å²	110	85 Å²	85	42%	0.415	45%	0.447	S	S	.	.	H	α-helix	trans	-62.7	-27.5	178.6	-69	-85.3	-163.7	-156.5	-1.7	113.6	C20 D21 E32 T34 C38	C20-R36 HydrophobicContact CB-CG 4.48Å; D21-R36 IonicContact OD1-CZ 3.2Å; D21-R36 IonicContact OD1-NH1 3.06Å; D21-R36 PolarHBondContact OD1-NH1 3.27Å; D21-R36 IonicContact OD1-NH2 2.65Å; D21-R36 PolarHBondContact OD1-NH2 3.24Å; D21-R36 IonicContact OD2-NH1 3.93Å; E32-R36 HydrophobicContact CG-CG 4.28Å; E32-R36 WeakPolarHBondContact O-CB 3.07Å; E32-R36 WeakPolarHBondContact O-CG 3.39Å; E32-R36 PolarHBondContact O-N 3.35Å; E32-R36 IonicContact OE1-CZ 3.41Å; E32-R36 IonicContact OE1-NE 2.98Å; E32-R36 PolarHBondContact OE1-NE 3.05Å; E32-R36 IonicContact OE1-NH2 2.92Å; E32-R36 PolarHBondContact OE1-NH2 2.04Å; T34-R36 VanDerWaalsContact C-N 3.34Å; T34-R36 PolarHBondContact O-N 3.37Å; R36-C38 VanDerWaalsContact C-N 3.35Å
37	Q	92.3	Very high	84.4	Confident	123 Å²	123	83.1 Å²	83.1	58%	0.575	44%	0.438	S	S	*	.	H	α-helix	trans	-80.5	-19.5	175.4	-70.1	178.7	13.5	0	0	113	M1 P33 T34 C35	M1-Q37 HydrophobicContact CB-CB 4.27Å; M1-Q37 HydrophobicContact CE-CB 3.84Å; P33-Q37 WeakPolarHBondContact O-CG 3.07Å; P33-Q37 PolarHBondContact O-N 2.81Å; T34-Q37 PolarHBondContact O-N 3.06Å; T34-Q37 VanDerWaalsContact O-N 3.17Å; C35-Q37 PolarHBondContact O-N 2.98Å
38	C	93.4	Very high	84.5	Confident	16 Å²	16	76 Å²	76	11%	0.108	41%	0.406	C	S	.	.	H	α-helix	trans	-104.6	-23	-177.5	-73.5	0	0	0	0	114.1	C6 F11 L15 T34 C35 R36	C6-C38 WeakPolarHBondContact CA-SG 3.48Å; C6-C38 HydrophobicContact CB-CB 3.7Å; C6-C38 WeakPolarHBondContact CB-SG 3.41Å; C6-C38 WeakPolarHBondContact SG-CA 3.47Å; C6-C38 WeakPolarHBondContact SG-CB 3.18Å; C6-C38 CovalentContact SG-SG 2.03Å; C6-C38 PolarHBondContact SG-SG 3.07Å; F11-C38 HydrophobicContact CB-CB 4.17Å; F11-C38 HydrophobicContact CD2-CB 4.3Å; F11-C38 HydrophobicContact CG-CB 4.24Å; L15-C38 HydrophobicContact CD2-CB 4.28Å; T34-C38 PolarHBondContact O-N 3.16Å; C35-C38 CarbonylContact O-C 3.56Å; C35-C38 PolarHBondContact O-N 3.4Å; R36-C38 VanDerWaalsContact C-N 3.35Å
39	C	92.3	Very high	84.6	Confident	18 Å²	18	74.4 Å²	74.4	12%	0.122	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-72	141.4	179.9	71	0	0	0	0	110.8	L15 C17 C35	L15-C39 HydrophobicContact CD2-CB 4.17Å; L15-C39 HydrophobicContact CG-CB 4.17Å; L15-C39 CarbonylContact O-C 3.56Å; L15-C39 VanDerWaalsContact O-CA 3.26Å; L15-C39 WeakPolarHBondContact O-CA 3.36Å; C17-C39 WeakPolarHBondContact CA-SG 3.31Å; C17-C39 HydrophobicContact CB-CB 3.84Å; C17-C39 WeakPolarHBondContact CB-SG 3.37Å; C17-C39 WeakPolarHBondContact SG-CB 3.4Å; C17-C39 CovalentContact SG-SG 2.04Å; C17-C39 PolarHBondContact SG-SG 2.98Å; C35-C39 WeakPolarHBondContact O-CB 3.14Å; C35-C39 PolarHBondContact O-N 3.21Å
40	Q	88	Confident	84.8	Confident	92 Å²	92	72.3 Å²	72.3	43%	0.43	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-82.8	137.5	160.5	38.5	-179.3	-2.8	0	0	107.4	N14 L15 C17 D42	N14-Q40 VanDerWaalsContact C-NE2 3.34Å; N14-Q40 VanDerWaalsContact CA-NE2 3.26Å; N14-Q40 PolarHBondContact O-NE2 3.28Å; N14-Q40 VanDerWaalsContact O-NE2 3.13Å; L15-Q40 WeakPolarHBondContact O-CG 3.42Å; L15-Q40 PolarHBondContact O-N 3.36Å; C17-Q40 PolarHBondContact N-O 3.44Å; C17-Q40 PolarHBondContact SG-O 2.92Å; Q40-D42 PolarHBondContact O-N 2.65Å
41	K	78.6	Confident	85	Confident	185 Å²	185	67.9 Å²	67.9	80%	0.804	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-46.6	123.7	170.2	-132.2	179.9	-172.1	-178.9	0	106.2	V43	K41-V43 PolarHBondContact O-N 2.9Å
42	D	71.3	Confident	85.1	Confident	49 Å²	49	65.7 Å²	65.7	26%	0.262	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-46.7	118.4	165.8	-64.2	-112.2	0	0	0	104.9	L16 C17 S18 Q40 G44	L16-D42 WeakPolarHBondContact CB-OD1 3.39Å; C17-D42 VanDerWaalsContact CA-OD2 3.31Å; C17-D42 WeakPolarHBondContact CA-OD2 3.28Å; C17-D42 WeakPolarHBondContact CB-OD2 3.41Å; C17-D42 PolarHBondContact N-OD2 2.92Å; S18-D42 VanDerWaalsContact CB-OD1 3.26Å; S18-D42 WeakPolarHBondContact CB-OD1 3.26Å; S18-D42 PolarHBondContact N-OD2 2.61Å; S18-D42 PolarHBondContact OG-OD1 2.81Å; Q40-D42 PolarHBondContact O-N 2.65Å; D42-G44 PolarHBondContact O-N 2.67Å
43	V	60.3	Low	85	Confident	141 Å²	141	62.1 Å²	62.1	86%	0.855	33%	0.327	S	S	*	.			trans	-65.1	88.6	162.2	-172.9	0	0	0	0	101.3	K41	K41-V43 PolarHBondContact O-N 2.9Å
44	G	55.4	Low	84.8	Confident	28 Å²	28	59.8 Å²	59.8	29%	0.289	31%	0.309	S	S	.	.			trans	-55.5	156.7	-161.5	0	0	0	0	0	108	D42 S46 R122	D42-G44 PolarHBondContact O-N 2.67Å; G44-S46 PolarHBondContact O-N 2.6Å; G44-R122 PolarHBondContact O-NH1 3.13Å; G44-R122 VanDerWaalsContact O-NH1 3.13Å
45	E	62.2	Low	84.5	Confident	111 Å²	111	57.8 Å²	57.8	52%	0.519	30%	0.297	S	S	.	.			trans	-42.4	66.9	135.8	-61.5	177.5	162.9	0	0	110.2	K47 M121	E45-K47 VanDerWaalsContact C-N 3.25Å; E45-K47 WeakPolarHBondContact O-CG 3.48Å; E45-K47 PolarHBondContact O-N 2.78Å; E45-M121 HydrophobicContact CG-CB 4.36Å
46	S	69.5	Low	84	Confident	64 Å²	64	58.2 Å²	58.2	45%	0.448	30%	0.3	S	S	.	.			trans	-58.5	104.1	169.3	-68.1	0	0	0	0	102.7	G44 Y48	G44-S46 PolarHBondContact O-N 2.6Å; S46-Y48 WeakPolarHBondContact O-CD2 2.98Å; S46-Y48 WeakPolarHBondContact O-CE2 3.32Å; S46-Y48 PolarHBondContact O-N 2.66Å
47	K	85.2	Confident	83	Confident	97 Å²	97	54 Å²	54	42%	0.422	29%	0.29	S	S	.	.			trans	-75	122.8	179.8	-66.3	-161.7	173.8	-161.8	0	106	E45 M121 R122 I124	E45-K47 VanDerWaalsContact C-N 3.25Å; E45-K47 WeakPolarHBondContact O-CG 3.48Å; E45-K47 PolarHBondContact O-N 2.78Å; K47-M121 WeakPolarHBondContact CE-O 3.42Å; K47-R122 CarbonylContact C-O 3.52Å; K47-R122 WeakPolarHBondContact CA-O 2.95Å; K47-I124 HydrophobicContact CB-CD1 4.43Å; K47-I124 HydrophobicContact CB-CG1 3.45Å; K47-I124 VanDerWaalsContact CB-CG1 3.45Å
48	Y	92.4	Very high	81.8	Confident	30 Å²	30	53.4 Å²	53.4	12%	0.118	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-86.7	137.1	178.6	-66.1	-87	0	0	0	108.3	S46 T50 L94 V95 A102 R122 L123 I124	S46-Y48 WeakPolarHBondContact O-CD2 2.98Å; S46-Y48 WeakPolarHBondContact O-CE2 3.32Å; S46-Y48 PolarHBondContact O-N 2.66Å; Y48-T50 PolarHBondContact O-N 3.43Å; Y48-L94 HydrophobicContact CD1-CB 3.89Å; Y48-L94 HydrophobicContact CD2-CB 3.68Å; Y48-L94 HydrophobicContact CD2-CD1 3.52Å; Y48-L94 HydrophobicContact CD2-CD2 4.14Å; Y48-L94 HydrophobicContact CD2-CG 3.97Å; Y48-L94 HydrophobicContact CE1-CB 4.12Å; Y48-L94 HydrophobicContact CE2-CB 3.92Å; Y48-L94 HydrophobicContact CE2-CD1 3.39Å; Y48-L94 HydrophobicContact CE2-CG 4.19Å; Y48-L94 HydrophobicContact CG-CB 3.66Å; Y48-L94 HydrophobicContact CG-CD1 4.37Å; Y48-L94 HydrophobicContact CG-CD2 4.48Å; Y48-L94 HydrophobicContact CG-CG 4.38Å; Y48-V95 WeakPolarHBondContact CB-O 3.37Å; Y48-A102 HydrophobicContact CD1-CB 4.27Å; Y48-A102 HydrophobicContact CE1-CB 3.45Å; Y48-A102 VanDerWaalsContact CE1-CB 3.45Å; Y48-R122 PolarHBondContact N-O 3.32Å; Y48-L123 VanDerWaalsContact O-CD2 3.32Å; Y48-L123 WeakPolarHBondContact O-CD2 3.28Å; Y48-I124 PolarHBondContact O-N 3.07Å
49	P	93.4	Very high	80.5	Confident	44 Å²	44	59.6 Å²	59.6	29%	0.286	33%	0.331	S	S	.	.	S	Bend	trans	-63.4	-27.1	174.7	25.3	-35.5	0	0	0	112	V95 E97 I124	P49-V95 VanDerWaalsContact CD-O 3.25Å; P49-V95 WeakPolarHBondContact CD-O 3.4Å; P49-E97 HydrophobicContact CG-CG 4.42Å; P49-I124 HydrophobicContact CB-CD1 4.31Å
50	T	94.6	Very high	79.3	Confident	44 Å²	44	60.6 Å²	60.6	27%	0.27	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.4	-174.7	-44.5	0	0	0	0	110.5	Y48 G79 L81 V95	Y48-T50 PolarHBondContact O-N 3.43Å; T50-G79 CarbonylContact C-O 3.52Å; T50-G79 WeakPolarHBondContact CA-O 3.35Å; T50-G79 WeakPolarHBondContact CG2-O 3.41Å; T50-L81 HydrophobicContact CG2-CD1 4.02Å; T50-L81 HydrophobicContact CG2-CG 4.24Å; T50-V95 WeakPolarHBondContact O-CB 3.19Å; T50-V95 PolarHBondContact O-N 2.8Å
51	A	95.3	Very high	77.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.4	168.2	0	0	0	0	0	110.6	G79 L80 L81 I92 K93 L94 L123	A51-G79 PolarHBondContact N-O 3.29Å; A51-L80 HydrophobicContact CB-CD1 4Å; A51-L81 PolarHBondContact O-N 2.85Å; A51-I92 HydrophobicContact CB-CG2 4.37Å; A51-K93 CarbonylContact C-O 3.51Å; A51-K93 WeakPolarHBondContact CA-O 3.34Å; A51-L94 HydrophobicContact CB-CD2 3.83Å; A51-L123 HydrophobicContact CB-CD1 4.17Å; A51-L123 HydrophobicContact CB-CD2 3.72Å; A51-L123 HydrophobicContact CB-CG 4.31Å
52	I	94.5	Very high	77	Confident	28 Å²	28	60 Å²	60	14%	0.144	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.9	174.6	-56.5	165.8	0	0	0	107.8	L81 Q83 I92 K93 V95	I52-L81 CarbonylContact C-O 3.41Å; I52-L81 WeakPolarHBondContact CA-O 3.23Å; I52-L81 HydrophobicContact CG1-CB 4.36Å; I52-L81 HydrophobicContact CG1-CD1 4.44Å; I52-Q83 HydrophobicContact CG2-CB 4.06Å; I52-Q83 HydrophobicContact CG2-CG 3.99Å; I52-I92 WeakPolarHBondContact O-CA 3.43Å; I52-K93 HydrophobicContact CB-CB 4.28Å; I52-K93 PolarHBondContact N-O 3.12Å; I52-K93 PolarHBondContact O-N 2.9Å; I52-V95 HydrophobicContact CD1-CG2 4.23Å; I52-V95 HydrophobicContact CG1-CG2 4.36Å
53	L	91.8	Very high	76.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	101.1	170.7	-177.9	62.1	0	0	0	108.6	V55 F65 F68 V69 L80 L81 V82 Q83 I92 I107	L53-V55 HydrophobicContact CD1-CG1 4.3Å; L53-V55 HydrophobicContact CG-CG1 4.06Å; L53-F65 HydrophobicContact CD1-CE1 3.84Å; L53-F65 HydrophobicContact CD1-CZ 4.07Å; L53-F65 HydrophobicContact CD2-CE1 4.08Å; L53-F65 HydrophobicContact CG-CE1 4.3Å; L53-F68 HydrophobicContact CD2-CE1 4.24Å; L53-V69 HydrophobicContact CD2-CG2 3.9Å; L53-L80 HydrophobicContact CB-CD1 4.15Å; L53-L81 PolarHBondContact N-O 3.48Å; L53-V82 HydrophobicContact CD2-CG2 4.45Å; L53-V82 WeakPolarHBondContact O-CA 3.21Å; L53-Q83 PolarHBondContact O-N 2.96Å; L53-I92 HydrophobicContact CD1-CD1 4.37Å; L53-I92 HydrophobicContact CD1-CG1 3.63Å; L53-I107 HydrophobicContact CD1-CD1 3.78Å
54	E	90.4	Very high	76.8	Confident	27 Å²	27	60.8 Å²	60.8	13%	0.126	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.5	177.7	-165.2	174.8	124.1	0	0	109.5	Q83 V85 A88 P90 T91 K93	E54-Q83 WeakPolarHBondContact CA-O 3.47Å; E54-V85 HydrophobicContact CG-CB 3.79Å; E54-V85 HydrophobicContact CG-CG2 3.52Å; E54-A88 HydrophobicContact CG-CB 4.19Å; E54-A88 WeakPolarHBondContact OE1-CB 3.19Å; E54-P90 WeakPolarHBondContact O-CA 3.29Å; E54-T91 PolarHBondContact N-O 2.99Å; E54-T91 PolarHBondContact O-N 3.11Å; E54-K93 IonicContact OE2-NZ 2.62Å; E54-K93 PolarHBondContact OE2-NZ 3.12Å
55	V	86.5	Confident	77.5	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150	-177.9	-67.6	0	0	0	0	109.9	L53 F65 V69 V82 Q83 Y84 V85	L53-V55 HydrophobicContact CD1-CG1 4.3Å; L53-V55 HydrophobicContact CG-CG1 4.06Å; V55-F65 HydrophobicContact CG1-CD1 3.52Å; V55-F65 HydrophobicContact CG1-CE1 3.67Å; V55-V69 HydrophobicContact CG1-CG2 4.27Å; V55-V69 HydrophobicContact CG2-CG2 4.47Å; V55-V82 HydrophobicContact CG2-CG1 4.09Å; V55-Q83 PolarHBondContact N-O 3.37Å; V55-Y84 HydrophobicContact CG2-CD1 3.75Å; V55-Y84 HydrophobicContact CG2-CE1 3.71Å; V55-Y84 CarbonylContact O-C 3.56Å; V55-Y84 VanDerWaalsContact O-CA 3.25Å; V55-Y84 WeakPolarHBondContact O-CA 3.44Å; V55-V85 PolarHBondContact O-N 3.13Å
56	C	83.4	Confident	77.8	Confident	12 Å²	12	55.4 Å²	55.4	8%	0.081	30%	0.301	C	S	.	.			trans	-72.6	140.9	167.7	-171	0	0	0	0	111.4	C60 V85 G87 A88	C56-C60 HydrophobicContact CB-CB 3.33Å; C56-C60 WeakPolarHBondContact CB-SG 3.36Å; C56-C60 WeakPolarHBondContact SG-CB 3.32Å; C56-C60 CovalentContact SG-SG 2.01Å; C56-C60 PolarHBondContact SG-SG 3.14Å; C56-V85 WeakPolarHBondContact CA-O 3.28Å; C56-G87 PolarHBondContact SG-N 3.16Å; C56-A88 WeakPolarHBondContact CB-O 3.35Å; C56-A88 PolarHBondContact N-O 2.67Å
57	G	72.9	Confident	77.8	Confident	21 Å²	21	55.1 Å²	55.1	22%	0.216	30%	0.302	C	S	.	.			trans	-67.3	-175.1	175.2	0	0	0	0	0	113.9	L59 C60	G57-L59 PolarHBondContact O-N 3.3Å; G57-C60 PolarHBondContact O-N 3.42Å; G57-C60 VanDerWaalsContact O-N 3.07Å
58	S	67.3	Low	77.4	Confident	110 Å²	110	50.7 Å²	50.7	77%	0.769	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-8.9	-172.1	51.6	0	0	0	0	117.3
59	L	64.3	Low	76.6	Confident	147 Å²	147	49.7 Å²	49.7	77%	0.77	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-5	-179	-68.6	166.5	0	0	0	113.8	G57	G57-L59 PolarHBondContact O-N 3.3Å
60	C	67.4	Low	75.9	Confident	39 Å²	39	55.4 Å²	55.4	26%	0.264	30%	0.301	S	S	.	.	S	Bend	trans	-99.7	147	176.6	-72.9	0	0	0	0	112.3	C56 G57 A62	C56-C60 HydrophobicContact CB-CB 3.33Å; C56-C60 WeakPolarHBondContact CB-SG 3.36Å; C56-C60 WeakPolarHBondContact SG-CB 3.32Å; C56-C60 CovalentContact SG-SG 2.01Å; C56-C60 PolarHBondContact SG-SG 3.14Å; G57-C60 PolarHBondContact O-N 3.42Å; G57-C60 VanDerWaalsContact O-N 3.07Å; C60-A62 PolarHBondContact O-N 2.95Å
61	Y	58.3	Low	75	Confident	237 Å²	237	57.5 Å²	57.5	93%	0.929	32%	0.317	S	S	*	.	S	Bend	trans	-62	-7.3	-174.3	-79.8	-90.8	0	0	0	115.7	S63	Y61-S63 PolarHBondContact O-N 3.13Å
62	A	59.9	Low	74.2	Confident	28 Å²	28	58.4 Å²	58.4	23%	0.231	32%	0.322	C	S	.	.			trans	-76.7	66	177.5	0	0	0	0	0	111.9	C60 Y64	C60-A62 PolarHBondContact O-N 2.95Å; A62-Y64 VanDerWaalsContact C-N 3.3Å; A62-Y64 HydrophobicContact CB-CE1 4.23Å; A62-Y64 PolarHBondContact O-N 3.38Å
63	S	59.9	Low	73.5	Confident	94 Å²	94	60.9 Å²	60.9	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-64.3	-30.8	-178.7	65.9	0	0	0	0	113.5	Y61 A67	Y61-S63 PolarHBondContact O-N 3.13Å; S63-A67 PolarHBondContact O-N 3.42Å
64	Y	67.5	Low	73.1	Confident	112 Å²	112	64.1 Å²	64.1	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-71.8	-40.2	-176.6	69.5	-80.4	0	0	0	112.1	A62 A67 F68 D108	A62-Y64 VanDerWaalsContact C-N 3.3Å; A62-Y64 HydrophobicContact CB-CE1 4.23Å; A62-Y64 PolarHBondContact O-N 3.38Å; Y64-A67 WeakPolarHBondContact O-CB 3.33Å; Y64-A67 PolarHBondContact O-N 2.99Å; Y64-F68 PolarHBondContact O-N 2.86Å; Y64-D108 PolarHBondContact OH-O 3.34Å
65	F	69.9	Low	72.8	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-76.9	-32.5	-176	-150.8	-85.6	0	0	0	112.5	L53 V55 A67 F68 V69 P90 I107 V115	L53-F65 HydrophobicContact CD1-CE1 3.84Å; L53-F65 HydrophobicContact CD1-CZ 4.07Å; L53-F65 HydrophobicContact CD2-CE1 4.08Å; L53-F65 HydrophobicContact CG-CE1 4.3Å; V55-F65 HydrophobicContact CG1-CD1 3.52Å; V55-F65 HydrophobicContact CG1-CE1 3.67Å; F65-A67 PolarHBondContact O-N 3.03Å; F65-F68 HydrophobicContact CD1-CD1 4.42Å; F65-F68 AromaticContact CE1-CD1 3.78Å; F65-F68 HydrophobicContact CE1-CD1 3.78Å; F65-F68 HydrophobicContact CE1-CE1 4.36Å; F65-F68 HydrophobicContact CE2-CD1 4.36Å; F65-F68 AromaticContact CZ-CD1 3.72Å; F65-F68 HydrophobicContact CZ-CD1 3.72Å; F65-F68 HydrophobicContact CZ-CE1 4.12Å; F65-F68 WeakPolarHBondContact O-CB 3.5Å; F65-F68 PolarHBondContact O-N 3.31Å; F65-F68 VanDerWaalsContact O-N 3.14Å; F65-V69 HydrophobicContact CD1-CG2 4.02Å; F65-V69 HydrophobicContact CE1-CG2 3.99Å; F65-V69 PolarHBondContact O-N 2.85Å; F65-P90 HydrophobicContact CB-CG 4.28Å; F65-P90 HydrophobicContact CD1-CB 4.23Å; F65-P90 HydrophobicContact CD2-CB 4.28Å; F65-P90 HydrophobicContact CG-CB 4.13Å; F65-P90 HydrophobicContact CG-CG 4.2Å; F65-I107 HydrophobicContact CE1-CD1 4.07Å; F65-I107 HydrophobicContact CE2-CD1 3.56Å; F65-I107 HydrophobicContact CE2-CG1 4.26Å; F65-I107 HydrophobicContact CZ-CD1 3.2Å; F65-I107 HydrophobicContact CZ-CG1 4.25Å; F65-V115 HydrophobicContact CE2-CG2 3.88Å; F65-V115 HydrophobicContact CZ-CG1 4.48Å; F65-V115 HydrophobicContact CZ-CG2 4.05Å
66	L	68.2	Low	72.8	Confident	19 Å²	19	78 Å²	78	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-31.4	170	-90.2	161.7	0	0	0	112.5	K70 Y84	L66-K70 WeakPolarHBondContact O-CB 3.26Å; L66-K70 VanDerWaalsContact O-CG 3.25Å; L66-K70 WeakPolarHBondContact O-CG 3.37Å; L66-K70 PolarHBondContact O-N 2.84Å; L66-Y84 HydrophobicContact CD2-CE1 4.07Å
67	A	71.6	Confident	73.1	Confident	58 Å²	58	77.5 Å²	77.5	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-44	173.2	0	0	0	0	0	110.9	S63 Y64 F65 K70 S71	S63-A67 PolarHBondContact O-N 3.42Å; Y64-A67 WeakPolarHBondContact O-CB 3.33Å; Y64-A67 PolarHBondContact O-N 2.99Å; F65-A67 PolarHBondContact O-N 3.03Å; A67-K70 PolarHBondContact O-N 2.82Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 3.3Å; A67-S71 PolarHBondContact O-OG 2.84Å; A67-S71 VanDerWaalsContact O-OG 3.09Å
68	F	75.4	Confident	73.9	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.018	43%	0.425	C	S	.	.	H	α-helix	trans	-54.8	-56.3	174.3	168.5	-106	0	0	0	111.5	L53 Y64 F65 K70 S71 V72 T112 V115 I116	L53-F68 HydrophobicContact CD2-CE1 4.24Å; Y64-F68 PolarHBondContact O-N 2.86Å; F65-F68 HydrophobicContact CD1-CD1 4.42Å; F65-F68 AromaticContact CE1-CD1 3.78Å; F65-F68 HydrophobicContact CE1-CD1 3.78Å; F65-F68 HydrophobicContact CE1-CE1 4.36Å; F65-F68 HydrophobicContact CE2-CD1 4.36Å; F65-F68 AromaticContact CZ-CD1 3.72Å; F65-F68 HydrophobicContact CZ-CD1 3.72Å; F65-F68 HydrophobicContact CZ-CE1 4.12Å; F65-F68 WeakPolarHBondContact O-CB 3.5Å; F65-F68 PolarHBondContact O-N 3.31Å; F65-F68 VanDerWaalsContact O-N 3.14Å; F68-K70 PolarHBondContact O-N 3.4Å; F68-S71 WeakPolarHBondContact CA-OG 3.38Å; F68-S71 PolarHBondContact O-N 2.84Å; F68-S71 PolarHBondContact O-OG 3.06Å; F68-V72 HydrophobicContact CD2-CB 4.22Å; F68-V72 HydrophobicContact CD2-CG2 4.42Å; F68-V72 HydrophobicContact CE1-CG1 4.31Å; F68-V72 HydrophobicContact CE2-CB 3.8Å; F68-V72 HydrophobicContact CE2-CG1 4.41Å; F68-V72 HydrophobicContact CE2-CG2 3.58Å; F68-V72 HydrophobicContact CZ-CB 3.98Å; F68-V72 HydrophobicContact CZ-CG1 4.11Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 WeakPolarHBondContact O-CB 3.25Å; F68-V72 PolarHBondContact O-N 2.79Å; F68-T112 HydrophobicContact CD2-CG2 3.45Å; F68-T112 VanDerWaalsContact CD2-CG2 3.45Å; F68-T112 HydrophobicContact CE2-CG2 3.77Å; F68-V115 HydrophobicContact CE1-CB 4.29Å; F68-V115 HydrophobicContact CE1-CG1 3.57Å; F68-V115 HydrophobicContact CE2-CB 4.49Å; F68-V115 HydrophobicContact CE2-CG1 4.41Å; F68-V115 HydrophobicContact CZ-CB 4.02Å; F68-V115 HydrophobicContact CZ-CG1 3.5Å; F68-V115 VanDerWaalsContact CZ-CG1 3.5Å; F68-I116 HydrophobicContact CE2-CD1 4.2Å; F68-I116 HydrophobicContact CE2-CG1 3.82Å; F68-I116 HydrophobicContact CZ-CG1 4.31Å
69	V	76.8	Confident	75.1	Confident	10 Å²	10	76.4 Å²	76.4	6%	0.061	39%	0.394	C	S	.	.	H	α-helix	trans	-57.2	-35.6	-178.4	175.2	0	0	0	0	112.1	L53 V55 F65 V82	L53-V69 HydrophobicContact CD2-CG2 3.9Å; V55-V69 HydrophobicContact CG1-CG2 4.27Å; V55-V69 HydrophobicContact CG2-CG2 4.47Å; F65-V69 HydrophobicContact CD1-CG2 4.02Å; F65-V69 HydrophobicContact CE1-CG2 3.99Å; F65-V69 PolarHBondContact O-N 2.85Å; V69-V82 HydrophobicContact CG1-CG1 3.89Å; V69-V82 HydrophobicContact CG1-CG2 4.33Å
70	K	76.9	Confident	76.5	Confident	164 Å²	164	70 Å²	70	71%	0.713	36%	0.36	S	S	*	.	H	α-helix	trans	-75.7	-32	176.7	-73.1	175.7	-178.9	-179.2	0	113.6	L66 A67 F68	L66-K70 WeakPolarHBondContact O-CB 3.26Å; L66-K70 VanDerWaalsContact O-CG 3.25Å; L66-K70 WeakPolarHBondContact O-CG 3.37Å; L66-K70 PolarHBondContact O-N 2.84Å; A67-K70 PolarHBondContact O-N 2.82Å; F68-K70 PolarHBondContact O-N 3.4Å
71	S	75.8	Confident	77.7	Confident	88 Å²	88	72.7 Å²	72.7	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-87.1	-24.5	-177.5	67.3	0	0	0	0	113.9	A67 F68	A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 3.3Å; A67-S71 PolarHBondContact O-OG 2.84Å; A67-S71 VanDerWaalsContact O-OG 3.09Å; F68-S71 WeakPolarHBondContact CA-OG 3.38Å; F68-S71 PolarHBondContact O-N 2.84Å; F68-S71 PolarHBondContact O-OG 3.06Å
72	V	78.5	Confident	79.2	Confident	18 Å²	18	63.3 Å²	63.3	11%	0.109	34%	0.339	C	S	.	.	S	Bend	trans	-79.9	132.1	-171.2	86.1	0	0	0	0	110.4	F68 L74 W77 I116	F68-V72 HydrophobicContact CD2-CB 4.22Å; F68-V72 HydrophobicContact CD2-CG2 4.42Å; F68-V72 HydrophobicContact CE1-CG1 4.31Å; F68-V72 HydrophobicContact CE2-CB 3.8Å; F68-V72 HydrophobicContact CE2-CG1 4.41Å; F68-V72 HydrophobicContact CE2-CG2 3.58Å; F68-V72 HydrophobicContact CZ-CB 3.98Å; F68-V72 HydrophobicContact CZ-CG1 4.11Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 WeakPolarHBondContact O-CB 3.25Å; F68-V72 PolarHBondContact O-N 2.79Å; V72-L74 HydrophobicContact CG1-CD2 3.71Å; V72-L74 HydrophobicContact CG1-CG 4.26Å; V72-L74 PolarHBondContact O-N 3.27Å; V72-W77 HydrophobicContact CG2-CH2 4.23Å; V72-W77 HydrophobicContact CG2-CZ3 3.71Å; V72-I116 HydrophobicContact CG2-CG1 4.42Å
73	D	81.5	Confident	80.6	Confident	81 Å²	81	66.4 Å²	66.4	43%	0.433	35%	0.349	S	S	.	.			trans	-76	93.1	174.6	-177	12.9	0	0	0	109.7	K75 R76	D73-K75 PolarHBondContact O-N 3.12Å; D73-K75 VanDerWaalsContact OD1-CB 3.28Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CG 3.32Å; D73-K75 PolarHBondContact OD1-N 3.04Å; D73-R76 HydrophobicContact CB-CG 4.36Å; D73-R76 WeakPolarHBondContact O-CB 3.47Å; D73-R76 WeakPolarHBondContact O-CG 3.27Å; D73-R76 PolarHBondContact O-N 2.88Å
74	L	82.4	Confident	81.9	Confident	68 Å²	68	68.3 Å²	68.3	36%	0.356	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57.2	-19.7	180	-63.9	174.2	0	0	0	112.9	V72 R76 W77 L80 V82	V72-L74 HydrophobicContact CG1-CD2 3.71Å; V72-L74 HydrophobicContact CG1-CG 4.26Å; V72-L74 PolarHBondContact O-N 3.27Å; L74-R76 PolarHBondContact O-N 2.99Å; L74-R76 VanDerWaalsContact O-N 3.13Å; L74-W77 CarbonylContact O-C 3.57Å; L74-W77 PolarHBondContact O-N 2.53Å; L74-L80 HydrophobicContact CD2-CD2 3.94Å; L74-V82 HydrophobicContact CD1-CG2 4.14Å; L74-V82 HydrophobicContact CD2-CG2 4.02Å
75	K	83.6	Confident	82.8	Confident	183 Å²	183	65.5 Å²	65.5	80%	0.796	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.5	175.7	-60.6	178.5	-179.6	179.2	0	113.1	D73 W77	D73-K75 PolarHBondContact O-N 3.12Å; D73-K75 VanDerWaalsContact OD1-CB 3.28Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CG 3.32Å; D73-K75 PolarHBondContact OD1-N 3.04Å; K75-W77 PolarHBondContact O-N 2.99Å
76	R	87.1	Confident	83.5	Confident	139 Å²	139	75.9 Å²	75.9	53%	0.525	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-67.7	-19.5	174.1	-66.4	-178.9	-178.8	-167.2	0.1	113.2	D73 L74	D73-R76 HydrophobicContact CB-CG 4.36Å; D73-R76 WeakPolarHBondContact O-CB 3.47Å; D73-R76 WeakPolarHBondContact O-CG 3.27Å; D73-R76 PolarHBondContact O-N 2.88Å; L74-R76 PolarHBondContact O-N 2.99Å; L74-R76 VanDerWaalsContact O-N 3.13Å
77	W	90.8	Very high	84.1	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.008	40%	0.399	C	S	.	.			trans	-137.2	86.9	179.2	-57.5	-78.8	0	0	0	109.9	V72 L74 K75 G79 L80 I116 L119 N120 L123	V72-W77 HydrophobicContact CG2-CH2 4.23Å; V72-W77 HydrophobicContact CG2-CZ3 3.71Å; L74-W77 CarbonylContact O-C 3.57Å; L74-W77 PolarHBondContact O-N 2.53Å; K75-W77 PolarHBondContact O-N 2.99Å; W77-G79 PolarHBondContact O-N 3.49Å; W77-G79 VanDerWaalsContact O-N 3.14Å; W77-L80 HydrophobicContact CB-CB 3.64Å; W77-L80 HydrophobicContact CB-CD2 4.37Å; W77-L80 HydrophobicContact CE3-CD2 4.15Å; W77-L80 WeakPolarHBondContact O-CB 3.45Å; W77-L80 PolarHBondContact O-N 2.93Å; W77-I116 HydrophobicContact CH2-CB 4.28Å; W77-I116 HydrophobicContact CH2-CG1 4.04Å; W77-I116 HydrophobicContact CH2-CG2 3.98Å; W77-I116 HydrophobicContact CZ2-CG2 4.07Å; W77-L119 HydrophobicContact CD2-CB 4.1Å; W77-L119 HydrophobicContact CD2-CD1 4.26Å; W77-L119 HydrophobicContact CE3-CD1 4.21Å; W77-L119 HydrophobicContact CG-CB 4.43Å; W77-L119 HydrophobicContact CH2-CD1 4.22Å; W77-L119 HydrophobicContact CZ2-CB 3.73Å; W77-L119 HydrophobicContact CZ2-CD1 4.24Å; W77-L119 HydrophobicContact CZ3-CD1 4.19Å; W77-L119 PolarHBondContact NE1-O 3.09Å; W77-N120 WeakPolarHBondContact CZ2-OD1 3.31Å; W77-N120 PolarHBondContact NE1-OD1 3.25Å; W77-L123 HydrophobicContact CB-CD1 3.9Å; W77-L123 HydrophobicContact CG-CD1 3.98Å
78	P	89.7	Confident	84.7	Confident	97 Å²	97	75.9 Å²	75.9	63%	0.63	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.6	-179.3	22.9	-32	0	0	0	113.2	L80	P78-L80 VanDerWaalsContact C-N 3.34Å
79	G	92.1	Very high	85.1	Confident	11 Å²	11	81.4 Å²	81.4	11%	0.113	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.1	173	0	0	0	0	0	115.1	T50 A51 W77	T50-G79 CarbonylContact C-O 3.52Å; T50-G79 WeakPolarHBondContact CA-O 3.35Å; T50-G79 WeakPolarHBondContact CG2-O 3.41Å; A51-G79 PolarHBondContact N-O 3.29Å; W77-G79 PolarHBondContact O-N 3.49Å; W77-G79 VanDerWaalsContact O-N 3.14Å
80	L	93.3	Very high	85.6	Confident	12 Å²	12	81.2 Å²	81.2	6%	0.063	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.2	-179.3	-174.7	63.9	0	0	0	111.1	A51 L53 L74 W77 P78 L119 L123	A51-L80 HydrophobicContact CB-CD1 4Å; L53-L80 HydrophobicContact CB-CD1 4.15Å; L74-L80 HydrophobicContact CD2-CD2 3.94Å; W77-L80 HydrophobicContact CB-CB 3.64Å; W77-L80 HydrophobicContact CB-CD2 4.37Å; W77-L80 HydrophobicContact CE3-CD2 4.15Å; W77-L80 WeakPolarHBondContact O-CB 3.45Å; W77-L80 PolarHBondContact O-N 2.93Å; P78-L80 VanDerWaalsContact C-N 3.34Å; L80-L119 HydrophobicContact CD1-CD2 3.88Å; L80-L119 HydrophobicContact CD2-CD1 3.81Å; L80-L119 HydrophobicContact CD2-CD2 4.3Å; L80-L123 HydrophobicContact CB-CD1 4.18Å; L80-L123 HydrophobicContact CD1-CD1 4.34Å
81	L	92.2	Very high	86.3	Confident	96 Å²	96	74.5 Å²	74.5	50%	0.503	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.1	175.9	-59.8	176.4	0	0	0	109.9	T50 A51 I52 L53	T50-L81 HydrophobicContact CG2-CD1 4.02Å; T50-L81 HydrophobicContact CG2-CG 4.24Å; A51-L81 PolarHBondContact O-N 2.85Å; I52-L81 CarbonylContact C-O 3.41Å; I52-L81 WeakPolarHBondContact CA-O 3.23Å; I52-L81 HydrophobicContact CG1-CB 4.36Å; I52-L81 HydrophobicContact CG1-CD1 4.44Å; L53-L81 PolarHBondContact N-O 3.48Å
82	V	89.5	Confident	87.1	Confident	39 Å²	39	70.3 Å²	70.3	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.6	175.2	-176.8	0	0	0	0	109.4	L53 V55 V69 L74 Y84	L53-V82 HydrophobicContact CD2-CG2 4.45Å; L53-V82 WeakPolarHBondContact O-CA 3.21Å; V55-V82 HydrophobicContact CG2-CG1 4.09Å; V69-V82 HydrophobicContact CG1-CG1 3.89Å; V69-V82 HydrophobicContact CG1-CG2 4.33Å; L74-V82 HydrophobicContact CD1-CG2 4.14Å; L74-V82 HydrophobicContact CD2-CG2 4.02Å; V82-Y84 HydrophobicContact CG1-CE2 4Å
83	Q	89.9	Confident	87.9	Confident	94 Å²	94	71.6 Å²	71.6	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.1	174.2	-85.4	-173.2	-9.5	0	0	111.1	I52 L53 E54 V55	I52-Q83 HydrophobicContact CG2-CB 4.06Å; I52-Q83 HydrophobicContact CG2-CG 3.99Å; L53-Q83 PolarHBondContact O-N 2.96Å; E54-Q83 WeakPolarHBondContact CA-O 3.47Å; V55-Q83 PolarHBondContact N-O 3.37Å
84	Y	86.9	Confident	88.5	Confident	133 Å²	133	67.7 Å²	67.7	52%	0.522	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.6	175.9	-66.1	-81	0	0	0	110.2	V55 L66 V82	V55-Y84 HydrophobicContact CG2-CD1 3.75Å; V55-Y84 HydrophobicContact CG2-CE1 3.71Å; V55-Y84 CarbonylContact O-C 3.56Å; V55-Y84 VanDerWaalsContact O-CA 3.25Å; V55-Y84 WeakPolarHBondContact O-CA 3.44Å; L66-Y84 HydrophobicContact CD2-CE1 4.07Å; V82-Y84 HydrophobicContact CG1-CE2 4Å
85	V	87.7	Confident	89.1	Confident	54 Å²	54	65.1 Å²	65.1	33%	0.327	33%	0.327	S	S	.	.			trans	-118.8	123.4	-178.9	179.9	0	0	0	0	109.4	E54 V55 C56 G87 A88	E54-V85 HydrophobicContact CG-CB 3.79Å; E54-V85 HydrophobicContact CG-CG2 3.52Å; V55-V85 PolarHBondContact O-N 3.13Å; C56-V85 WeakPolarHBondContact CA-O 3.28Å; V85-G87 PolarHBondContact O-N 3.43Å; V85-A88 HydrophobicContact CB-CB 3.72Å; V85-A88 HydrophobicContact CG1-CB 3.83Å; V85-A88 WeakPolarHBondContact O-CB 3.28Å; V85-A88 PolarHBondContact O-N 3.2Å
86	R	84.2	Confident	89.6	Confident	224 Å²	224	58.7 Å²	58.7	85%	0.845	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	121.9	-173.9	-169.9	179.7	-177.7	173.2	0.8	110.2	A88	R86-A88 VanDerWaalsContact C-N 3.27Å
87	G	80.9	Confident	89.7	Confident	58 Å²	58	60.7 Å²	60.7	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	5.8	-179.8	0	0	0	0	0	114.6	C56 V85	C56-G87 PolarHBondContact SG-N 3.16Å; V85-G87 PolarHBondContact O-N 3.43Å
88	A	82.6	Confident	89.8	Confident	18 Å²	18	69 Å²	69	15%	0.149	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-77.3	134.6	174.8	0	0	0	0	0	111.1	E54 C56 V85 R86	E54-A88 HydrophobicContact CG-CB 4.19Å; E54-A88 WeakPolarHBondContact OE1-CB 3.19Å; C56-A88 WeakPolarHBondContact CB-O 3.35Å; C56-A88 PolarHBondContact N-O 2.67Å; V85-A88 HydrophobicContact CB-CB 3.72Å; V85-A88 HydrophobicContact CG1-CB 3.83Å; V85-A88 WeakPolarHBondContact O-CB 3.28Å; V85-A88 PolarHBondContact O-N 3.2Å; R86-A88 VanDerWaalsContact C-N 3.27Å
89	D	84.7	Confident	89.9	Confident	120 Å²	120	67 Å²	67	64%	0.642	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-70	144.1	167.5	-66.6	-45.4	0	0	0	109.9	T91	D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 PolarHBondContact O-OG1 2.87Å
90	P	87.6	Confident	90	Very high	7 Å²	7	70.7 Å²	70.7	5%	0.045	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-51.6	119.7	178.8	-27.6	35.9	0	0	0	111.8	E54 F65 I107	E54-P90 WeakPolarHBondContact O-CA 3.29Å; F65-P90 HydrophobicContact CB-CG 4.28Å; F65-P90 HydrophobicContact CD1-CB 4.23Å; F65-P90 HydrophobicContact CD2-CB 4.28Å; F65-P90 HydrophobicContact CG-CB 4.13Å; F65-P90 HydrophobicContact CG-CG 4.2Å; P90-I107 HydrophobicContact CB-CD1 4.48Å; P90-I107 HydrophobicContact CB-CG1 3.9Å; P90-I107 VanDerWaalsContact O-CG1 3.27Å; P90-I107 WeakPolarHBondContact O-CG1 3.41Å; P90-I107 PolarHBondContact O-N 3.05Å
91	T	91.1	Very high	90	Very high	23 Å²	23	74.6 Å²	74.6	14%	0.141	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.5	-171.4	-60.3	0	0	0	0	110.7	E54 D89 K93 T104 L105	E54-T91 PolarHBondContact N-O 2.99Å; E54-T91 PolarHBondContact O-N 3.11Å; D89-T91 PolarHBondContact O-N 2.9Å; D89-T91 VanDerWaalsContact O-N 3.12Å; D89-T91 PolarHBondContact O-OG1 2.87Å; T91-K93 HydrophobicContact CG2-CG 4.26Å; T91-T104 HydrophobicContact CG2-CG2 3.42Å; T91-T104 VanDerWaalsContact CG2-CG2 3.42Å; T91-L105 CarbonylContact C-O 3.51Å; T91-L105 VanDerWaalsContact CA-O 3.26Å; T91-L105 WeakPolarHBondContact CA-O 3.42Å; T91-L105 WeakPolarHBondContact CG2-O 3.38Å
92	I	93	Very high	90	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.1	168.5	-68.7	170.9	0	0	0	109.3	A51 I52 L53 L94 T104 L105 I107 V115 F118 L119	A51-I92 HydrophobicContact CB-CG2 4.37Å; I52-I92 WeakPolarHBondContact O-CA 3.43Å; L53-I92 HydrophobicContact CD1-CD1 4.37Å; L53-I92 HydrophobicContact CD1-CG1 3.63Å; I92-L94 HydrophobicContact CG2-CD2 3.84Å; I92-L94 HydrophobicContact CG2-CG 4.31Å; I92-T104 CarbonylContact O-C 3.47Å; I92-T104 WeakPolarHBondContact O-CA 3.48Å; I92-L105 PolarHBondContact N-O 2.85Å; I92-L105 PolarHBondContact O-N 3.14Å; I92-I107 HydrophobicContact CD1-CD1 3.81Å; I92-I107 HydrophobicContact CD1-CG2 4.22Å; I92-I107 HydrophobicContact CG1-CD1 3.78Å; I92-I107 HydrophobicContact CG1-CG2 4.44Å; I92-V115 HydrophobicContact CD1-CG1 4.25Å; I92-F118 HydrophobicContact CD1-CD1 4.05Å; I92-F118 HydrophobicContact CD1-CE1 4.27Å; I92-F118 HydrophobicContact CG2-CE1 4.11Å; I92-L119 HydrophobicContact CD1-CD2 4.35Å
93	K	95.2	Very high	90.1	Very high	44 Å²	44	74 Å²	74	19%	0.191	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.9	172.7	-60.1	173.3	177.3	171.6	0	108.8	A51 I52 E54 T91 I101 E103 T104	A51-K93 CarbonylContact C-O 3.51Å; A51-K93 WeakPolarHBondContact CA-O 3.34Å; I52-K93 HydrophobicContact CB-CB 4.28Å; I52-K93 PolarHBondContact N-O 3.12Å; I52-K93 PolarHBondContact O-N 2.9Å; E54-K93 IonicContact OE2-NZ 2.62Å; E54-K93 PolarHBondContact OE2-NZ 3.12Å; T91-K93 HydrophobicContact CG2-CG 4.26Å; K93-I101 HydrophobicContact CB-CG2 4.18Å; K93-I101 HydrophobicContact CD-CD1 4.14Å; K93-E103 CarbonylContact C-O 3.54Å; K93-E103 WeakPolarHBondContact CA-O 3.36Å; K93-T104 HydrophobicContact CG-CG2 3.98Å
94	L	94.8	Very high	90.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.6	177.7	-60	178.6	0	0	0	109.5	Y48 A51 I92 I101 A102 E103 L105 F118 R122	Y48-L94 HydrophobicContact CD1-CB 3.89Å; Y48-L94 HydrophobicContact CD2-CB 3.68Å; Y48-L94 HydrophobicContact CD2-CD1 3.52Å; Y48-L94 HydrophobicContact CD2-CD2 4.14Å; Y48-L94 HydrophobicContact CD2-CG 3.97Å; Y48-L94 HydrophobicContact CE1-CB 4.12Å; Y48-L94 HydrophobicContact CE2-CB 3.92Å; Y48-L94 HydrophobicContact CE2-CD1 3.39Å; Y48-L94 HydrophobicContact CE2-CG 4.19Å; Y48-L94 HydrophobicContact CG-CB 3.66Å; Y48-L94 HydrophobicContact CG-CD1 4.37Å; Y48-L94 HydrophobicContact CG-CD2 4.48Å; Y48-L94 HydrophobicContact CG-CG 4.38Å; A51-L94 HydrophobicContact CB-CD2 3.83Å; I92-L94 HydrophobicContact CG2-CD2 3.84Å; I92-L94 HydrophobicContact CG2-CG 4.31Å; L94-I101 CarbonylContact O-C 3.57Å; L94-I101 WeakPolarHBondContact O-CA 3.48Å; L94-A102 PolarHBondContact O-N 2.75Å; L94-E103 HydrophobicContact CB-CB 4.17Å; L94-E103 HydrophobicContact CD1-CB 4.21Å; L94-E103 WeakPolarHBondContact CD1-OE2 3.36Å; L94-E103 HydrophobicContact CG-CB 4.45Å; L94-E103 PolarHBondContact N-O 2.91Å; L94-E103 PolarHBondContact O-N 2.87Å; L94-L105 HydrophobicContact CD1-CD1 4.27Å; L94-L105 HydrophobicContact CG-CD1 4.49Å; L94-F118 HydrophobicContact CD1-CE1 4.32Å; L94-F118 HydrophobicContact CD1-CZ 4.04Å; L94-F118 HydrophobicContact CD2-CE1 4.29Å; L94-R122 HydrophobicContact CD1-CB 4.26Å; L94-R122 HydrophobicContact CD1-CG 4.5Å; L94-R122 HydrophobicContact CD2-CB 4.41Å
95	V	94.9	Very high	90.6	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.085	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.4	-173	-175.9	0	0	0	0	109.7	Y48 P49 T50 I52 G99 N100	Y48-V95 WeakPolarHBondContact CB-O 3.37Å; P49-V95 VanDerWaalsContact CD-O 3.25Å; P49-V95 WeakPolarHBondContact CD-O 3.4Å; T50-V95 WeakPolarHBondContact O-CB 3.19Å; T50-V95 PolarHBondContact O-N 2.8Å; I52-V95 HydrophobicContact CD1-CG2 4.23Å; I52-V95 HydrophobicContact CG1-CG2 4.36Å; V95-G99 VanDerWaalsContact CG1-C 3.4Å; V95-N100 CarbonylContact C-O 3.59Å; V95-N100 VanDerWaalsContact CA-O 3.29Å; V95-N100 WeakPolarHBondContact CA-O 3.21Å
96	D	92.4	Very high	90.8	Very high	47 Å²	47	68.3 Å²	68.3	25%	0.251	38%	0.382	S	S	.	.			trans	-75.6	177.3	179.8	71.7	13.2	0	0	0	113.2	K98 G99 N100 A102	D96-K98 PolarHBondContact O-N 2.82Å; D96-K98 VanDerWaalsContact O-N 3.12Å; D96-K98 WeakPolarHBondContact OD1-CA 3.36Å; D96-K98 WeakPolarHBondContact OD1-CB 3.47Å; D96-K98 PolarHBondContact OD1-N 2.87Å; D96-G99 PolarHBondContact O-N 2.81Å; D96-G99 PolarHBondContact OD1-N 3.33Å; D96-G99 VanDerWaalsContact OD1-N 3.11Å; D96-N100 PolarHBondContact N-O 2.89Å; D96-N100 PolarHBondContact OD1-N 2.83Å; D96-A102 HydrophobicContact CB-CB 4.24Å
97	E	91.2	Very high	91	Very high	181 Å²	181	57.6 Å²	57.6	85%	0.846	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.3	178.2	-60	-174.8	156.3	0	0	114.1	P49 G99	P49-E97 HydrophobicContact CG-CG 4.42Å; E97-G99 VanDerWaalsContact C-N 3.32Å
98	K	91.8	Very high	91.1	Very high	176 Å²	176	58.1 Å²	58.1	77%	0.765	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-0	178.6	-60.7	177.2	-176.5	176.4	0	111.8	D96 N100	D96-K98 PolarHBondContact O-N 2.82Å; D96-K98 VanDerWaalsContact O-N 3.12Å; D96-K98 WeakPolarHBondContact OD1-CA 3.36Å; D96-K98 WeakPolarHBondContact OD1-CB 3.47Å; D96-K98 PolarHBondContact OD1-N 2.87Å; K98-N100 VanDerWaalsContact C-N 3.33Å; K98-N100 VanDerWaalsContact CB-ND2 3.28Å; K98-N100 WeakPolarHBondContact CB-ND2 3.43Å
99	G	92.1	Very high	91.2	Very high	56 Å²	56	63.9 Å²	63.9	58%	0.577	36%	0.359	S	S	*	.	S	Bend	trans	79.7	12.5	-177.1	0	0	0	0	0	114	V95 D96 E97	V95-G99 VanDerWaalsContact CG1-C 3.4Å; D96-G99 PolarHBondContact O-N 2.81Å; D96-G99 PolarHBondContact OD1-N 3.33Å; D96-G99 VanDerWaalsContact OD1-N 3.11Å; E97-G99 VanDerWaalsContact C-N 3.32Å
100	N	94.4	Very high	91.2	Very high	88 Å²	88	61.7 Å²	61.7	47%	0.471	34%	0.341	S	S	.	.			trans	-92.2	145.7	178.6	-56	-63	0	0	0	111	V95 D96 K98 A102	V95-N100 CarbonylContact C-O 3.59Å; V95-N100 VanDerWaalsContact CA-O 3.29Å; V95-N100 WeakPolarHBondContact CA-O 3.21Å; D96-N100 PolarHBondContact N-O 2.89Å; D96-N100 PolarHBondContact OD1-N 2.83Å; K98-N100 VanDerWaalsContact C-N 3.33Å; K98-N100 VanDerWaalsContact CB-ND2 3.28Å; K98-N100 WeakPolarHBondContact CB-ND2 3.43Å; N100-A102 PolarHBondContact O-N 2.82Å
101	I	93.9	Very high	91.1	Very high	94 Å²	94	65.6 Å²	65.6	48%	0.482	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	108	170.2	-61.7	164.1	0	0	0	107.8	K93 L94 E103 T104	K93-I101 HydrophobicContact CB-CG2 4.18Å; K93-I101 HydrophobicContact CD-CD1 4.14Å; L94-I101 CarbonylContact O-C 3.57Å; L94-I101 WeakPolarHBondContact O-CA 3.48Å; I101-E103 WeakPolarHBondContact CG2-O 3.35Å; I101-T104 WeakPolarHBondContact CG2-OG1 3.39Å
102	A	91.7	Very high	90.7	Very high	54 Å²	54	67.3 Å²	67.3	45%	0.446	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-34.3	178.5	0	0	0	0	0	111.8	Y48 L94 D96 N100	Y48-A102 HydrophobicContact CD1-CB 4.27Å; Y48-A102 HydrophobicContact CE1-CB 3.45Å; Y48-A102 VanDerWaalsContact CE1-CB 3.45Å; L94-A102 PolarHBondContact O-N 2.75Å; D96-A102 HydrophobicContact CB-CB 4.24Å; N100-A102 PolarHBondContact O-N 2.82Å
103	E	91.7	Very high	90.4	Very high	68 Å²	68	73 Å²	73	32%	0.318	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.8	-178.6	-162.6	175.1	-174.5	0	0	111	K93 L94 I101 L105 R122	K93-E103 CarbonylContact C-O 3.54Å; K93-E103 WeakPolarHBondContact CA-O 3.36Å; L94-E103 HydrophobicContact CB-CB 4.17Å; L94-E103 HydrophobicContact CD1-CB 4.21Å; L94-E103 WeakPolarHBondContact CD1-OE2 3.36Å; L94-E103 HydrophobicContact CG-CB 4.45Å; L94-E103 PolarHBondContact N-O 2.91Å; L94-E103 PolarHBondContact O-N 2.87Å; I101-E103 WeakPolarHBondContact CG2-O 3.35Å; E103-L105 HydrophobicContact CG-CD1 3.86Å; E103-L105 HydrophobicContact CG-CG 4.35Å; E103-R122 IonicContact OE2-CZ 3.74Å; E103-R122 IonicContact OE2-NH2 2.66Å; E103-R122 PolarHBondContact OE2-NH2 3.01Å
104	T	93.5	Very high	90.1	Very high	78 Å²	78	72.9 Å²	72.9	48%	0.479	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	126.9	175.9	-62.5	0	0	0	0	108.9	T91 I92 K93 I101	T91-T104 HydrophobicContact CG2-CG2 3.42Å; T91-T104 VanDerWaalsContact CG2-CG2 3.42Å; I92-T104 CarbonylContact O-C 3.47Å; I92-T104 WeakPolarHBondContact O-CA 3.48Å; K93-T104 HydrophobicContact CG-CG2 3.98Å; I101-T104 WeakPolarHBondContact CG2-OG1 3.39Å
105	L	92.7	Very high	89.8	Confident	36 Å²	36	72.9 Å²	72.9	19%	0.188	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.6	-178.4	-58.9	104	0	0	0	110.5	T91 I92 L94 E103 I107 F118	T91-L105 CarbonylContact C-O 3.51Å; T91-L105 VanDerWaalsContact CA-O 3.26Å; T91-L105 WeakPolarHBondContact CA-O 3.42Å; T91-L105 WeakPolarHBondContact CG2-O 3.38Å; I92-L105 PolarHBondContact N-O 2.85Å; I92-L105 PolarHBondContact O-N 3.14Å; L94-L105 HydrophobicContact CD1-CD1 4.27Å; L94-L105 HydrophobicContact CG-CD1 4.49Å; E103-L105 HydrophobicContact CG-CD1 3.86Å; E103-L105 HydrophobicContact CG-CG 4.35Å; L105-I107 HydrophobicContact CB-CG2 4.46Å; L105-F118 HydrophobicContact CD1-CE1 4.22Å; L105-F118 HydrophobicContact CD1-CZ 3.6Å; L105-F118 HydrophobicContact CD2-CE2 4.25Å; L105-F118 HydrophobicContact CD2-CZ 4.12Å; L105-F118 HydrophobicContact CG-CZ 4.47Å
106	G	91.5	Very high	89.6	Confident	48 Å²	48	73.9 Å²	73.9	50%	0.495	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.1	164.3	0	0	0	0	0	109.8
107	I	89.3	Confident	89.4	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	43%	0.426	C	S	.	.			trans	-127.8	24.7	-176	59.7	161	0	0	0	111.8	L53 F65 P90 I92 L105 N109 W110 V115	L53-I107 HydrophobicContact CD1-CD1 3.78Å; F65-I107 HydrophobicContact CE1-CD1 4.07Å; F65-I107 HydrophobicContact CE2-CD1 3.56Å; F65-I107 HydrophobicContact CE2-CG1 4.26Å; F65-I107 HydrophobicContact CZ-CD1 3.2Å; F65-I107 HydrophobicContact CZ-CG1 4.25Å; P90-I107 HydrophobicContact CB-CD1 4.48Å; P90-I107 HydrophobicContact CB-CG1 3.9Å; P90-I107 VanDerWaalsContact O-CG1 3.27Å; P90-I107 WeakPolarHBondContact O-CG1 3.41Å; P90-I107 PolarHBondContact O-N 3.05Å; I92-I107 HydrophobicContact CD1-CD1 3.81Å; I92-I107 HydrophobicContact CD1-CG2 4.22Å; I92-I107 HydrophobicContact CG1-CD1 3.78Å; I92-I107 HydrophobicContact CG1-CG2 4.44Å; L105-I107 HydrophobicContact CB-CG2 4.46Å; I107-N109 PolarHBondContact O-N 3.03Å; I107-W110 HydrophobicContact CB-CB 4.07Å; I107-W110 HydrophobicContact CB-CD2 3.98Å; I107-W110 HydrophobicContact CB-CE3 4.44Å; I107-W110 HydrophobicContact CB-CG 3.78Å; I107-W110 HydrophobicContact CG2-CD2 3.71Å; I107-W110 HydrophobicContact CG2-CE3 3.96Å; I107-W110 HydrophobicContact CG2-CG 4.06Å; I107-W110 HydrophobicContact CG2-CH2 4.45Å; I107-W110 HydrophobicContact CG2-CZ2 4.23Å; I107-W110 HydrophobicContact CG2-CZ3 4.3Å; I107-W110 WeakPolarHBondContact O-CB 3.48Å; I107-W110 PolarHBondContact O-N 3.14Å; I107-W110 VanDerWaalsContact O-N 3.12Å; I107-V115 HydrophobicContact CD1-CG2 4.12Å
108	D	83.5	Confident	89.4	Confident	69 Å²	69	69.6 Å²	69.6	37%	0.369	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.5	176.1	60.8	-52.4	0	0	0	111.6	Y64 W110	Y64-D108 PolarHBondContact OH-O 3.34Å; D108-W110 PolarHBondContact O-N 3.37Å
109	N	83.3	Confident	89.4	Confident	139 Å²	139	61.3 Å²	61.3	74%	0.743	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	12	-179.2	-61.4	-61.6	0	0	0	114.7	I107	I107-N109 PolarHBondContact O-N 3.03Å
110	W	86.5	Confident	89.3	Confident	73 Å²	73	61 Å²	61	28%	0.277	34%	0.339	S	S	.	.			trans	-93.1	144.1	-175.1	-69.4	36.6	0	0	0	111.7	I107 D108 V115 F118	I107-W110 HydrophobicContact CB-CB 4.07Å; I107-W110 HydrophobicContact CB-CD2 3.98Å; I107-W110 HydrophobicContact CB-CE3 4.44Å; I107-W110 HydrophobicContact CB-CG 3.78Å; I107-W110 HydrophobicContact CG2-CD2 3.71Å; I107-W110 HydrophobicContact CG2-CE3 3.96Å; I107-W110 HydrophobicContact CG2-CG 4.06Å; I107-W110 HydrophobicContact CG2-CH2 4.45Å; I107-W110 HydrophobicContact CG2-CZ2 4.23Å; I107-W110 HydrophobicContact CG2-CZ3 4.3Å; I107-W110 WeakPolarHBondContact O-CB 3.48Å; I107-W110 PolarHBondContact O-N 3.14Å; I107-W110 VanDerWaalsContact O-N 3.12Å; D108-W110 PolarHBondContact O-N 3.37Å; W110-V115 HydrophobicContact CB-CG2 3.98Å; W110-V115 HydrophobicContact CE3-CG2 4.03Å; W110-F118 HydrophobicContact CH2-CB 4.11Å; W110-F118 AromaticContact CH2-CD2 3.56Å; W110-F118 HydrophobicContact CH2-CD2 3.56Å; W110-F118 HydrophobicContact CH2-CE2 4.05Å; W110-F118 AromaticContact CH2-CG 3.82Å; W110-F118 HydrophobicContact CH2-CG 3.82Å; W110-F118 HydrophobicContact CZ3-CB 3.51Å; W110-F118 HydrophobicContact CZ3-CD1 4.28Å; W110-F118 AromaticContact CZ3-CD2 3.87Å; W110-F118 HydrophobicContact CZ3-CD2 3.87Å; W110-F118 AromaticContact CZ3-CG 3.63Å; W110-F118 HydrophobicContact CZ3-CG 3.63Å
111	N	84	Confident	89	Confident	89 Å²	89	59.9 Å²	59.9	48%	0.476	33%	0.332	S	S	.	.			trans	-89.4	167	169.3	69.2	45.9	0	0	0	110.8	D113 S114 V115	N111-D113 VanDerWaalsContact C-N 3.28Å; N111-D113 PolarHBondContact O-N 3.45Å; N111-D113 PolarHBondContact OD1-N 3.26Å; N111-S114 PolarHBondContact O-N 2.97Å; N111-S114 PolarHBondContact OD1-N 3.34Å; N111-S114 PolarHBondContact OD1-OG 2.91Å; N111-S114 VanDerWaalsContact OD1-OG 3.13Å; N111-V115 WeakPolarHBondContact O-CG2 3.06Å; N111-V115 PolarHBondContact O-N 3.03Å; N111-V115 VanDerWaalsContact O-N 3.14Å
112	T	83.9	Confident	88.9	Confident	60 Å²	60	57.3 Å²	57.3	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-52	-45	179	-65.8	0	0	0	0	112.8	F68 V115 I116	F68-T112 HydrophobicContact CD2-CG2 3.45Å; F68-T112 VanDerWaalsContact CD2-CG2 3.45Å; F68-T112 HydrophobicContact CE2-CG2 3.77Å; T112-V115 PolarHBondContact O-N 3.02Å; T112-I116 HydrophobicContact CG2-CD1 3.69Å; T112-I116 HydrophobicContact CG2-CG1 4.41Å; T112-I116 VanDerWaalsContact O-CG1 3.28Å; T112-I116 WeakPolarHBondContact O-CG1 2.91Å; T112-I116 PolarHBondContact O-N 3.25Å
113	D	86.2	Confident	88.8	Confident	119 Å²	119	54.8 Å²	54.8	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-67.5	-42.3	-174.8	-62	-29.9	0	0	0	111.1	N111 V115 I116 E117	N111-D113 VanDerWaalsContact C-N 3.28Å; N111-D113 PolarHBondContact O-N 3.45Å; N111-D113 PolarHBondContact OD1-N 3.26Å; D113-V115 VanDerWaalsContact C-N 3.33Å; D113-V115 PolarHBondContact O-N 3.13Å; D113-I116 PolarHBondContact O-N 3.33Å; D113-E117 VanDerWaalsContact O-CB 3.32Å; D113-E117 WeakPolarHBondContact O-CB 3.44Å; D113-E117 PolarHBondContact O-N 2.85Å
114	S	89.5	Confident	88.6	Confident	42 Å²	42	55.2 Å²	55.2	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-39.4	175.3	-58.8	0	0	0	0	112.2	N111 F118	N111-S114 PolarHBondContact O-N 2.97Å; N111-S114 PolarHBondContact OD1-N 3.34Å; N111-S114 PolarHBondContact OD1-OG 2.91Å; N111-S114 VanDerWaalsContact OD1-OG 3.13Å; S114-F118 VanDerWaalsContact O-CB 3.23Å; S114-F118 WeakPolarHBondContact O-CB 3.25Å; S114-F118 PolarHBondContact O-N 3.17Å
115	V	88.2	Confident	87.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-45.5	175.8	178.1	0	0	0	0	110.7	F65 F68 I92 I107 W110 N111 T112 D113 E117 F118 L119	F65-V115 HydrophobicContact CE2-CG2 3.88Å; F65-V115 HydrophobicContact CZ-CG1 4.48Å; F65-V115 HydrophobicContact CZ-CG2 4.05Å; F68-V115 HydrophobicContact CE1-CB 4.29Å; F68-V115 HydrophobicContact CE1-CG1 3.57Å; F68-V115 HydrophobicContact CE2-CB 4.49Å; F68-V115 HydrophobicContact CE2-CG1 4.41Å; F68-V115 HydrophobicContact CZ-CB 4.02Å; F68-V115 HydrophobicContact CZ-CG1 3.5Å; F68-V115 VanDerWaalsContact CZ-CG1 3.5Å; I92-V115 HydrophobicContact CD1-CG1 4.25Å; I107-V115 HydrophobicContact CD1-CG2 4.12Å; W110-V115 HydrophobicContact CB-CG2 3.98Å; W110-V115 HydrophobicContact CE3-CG2 4.03Å; N111-V115 WeakPolarHBondContact O-CG2 3.06Å; N111-V115 PolarHBondContact O-N 3.03Å; N111-V115 VanDerWaalsContact O-N 3.14Å; T112-V115 PolarHBondContact O-N 3.02Å; D113-V115 VanDerWaalsContact C-N 3.33Å; D113-V115 PolarHBondContact O-N 3.13Å; V115-E117 PolarHBondContact O-N 2.62Å; V115-F118 PolarHBondContact O-N 2.86Å; V115-L119 HydrophobicContact CG1-CD1 3.84Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 WeakPolarHBondContact O-CG 3.02Å; V115-L119 PolarHBondContact O-N 3.19Å
116	I	89.4	Confident	87.6	Confident	35 Å²	35	62 Å²	62	18%	0.179	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-46.6	178.3	-69.1	171.4	0	0	0	110.8	F68 V72 W77 T112 D113 L119 N120	F68-I116 HydrophobicContact CE2-CD1 4.2Å; F68-I116 HydrophobicContact CE2-CG1 3.82Å; F68-I116 HydrophobicContact CZ-CG1 4.31Å; V72-I116 HydrophobicContact CG2-CG1 4.42Å; W77-I116 HydrophobicContact CH2-CB 4.28Å; W77-I116 HydrophobicContact CH2-CG1 4.04Å; W77-I116 HydrophobicContact CH2-CG2 3.98Å; W77-I116 HydrophobicContact CZ2-CG2 4.07Å; T112-I116 HydrophobicContact CG2-CD1 3.69Å; T112-I116 HydrophobicContact CG2-CG1 4.41Å; T112-I116 VanDerWaalsContact O-CG1 3.28Å; T112-I116 WeakPolarHBondContact O-CG1 2.91Å; T112-I116 PolarHBondContact O-N 3.25Å; D113-I116 PolarHBondContact O-N 3.33Å; I116-L119 PolarHBondContact O-N 3.18Å; I116-N120 PolarHBondContact O-N 2.9Å; I116-N120 PolarHBondContact O-ND2 2.01Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å
117	E	89.7	Confident	87.4	Confident	116 Å²	116	62.7 Å²	62.7	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-48.4	178.4	-171.5	179.3	-162.9	0	0	110.7	D113 V115 L119 N120 M121	D113-E117 VanDerWaalsContact O-CB 3.32Å; D113-E117 WeakPolarHBondContact O-CB 3.44Å; D113-E117 PolarHBondContact O-N 2.85Å; V115-E117 PolarHBondContact O-N 2.62Å; E117-L119 PolarHBondContact O-N 3.45Å; E117-N120 WeakPolarHBondContact O-CB 3.4Å; E117-N120 PolarHBondContact O-N 2.91Å; E117-N120 VanDerWaalsContact O-N 3.13Å; E117-M121 HydrophobicContact CG-CE 3.96Å; E117-M121 HydrophobicContact CG-SD 4.45Å; E117-M121 WeakPolarHBondContact O-CG 3.25Å; E117-M121 PolarHBondContact O-N 2.97Å
118	F	91	Very high	87.3	Confident	22 Å²	22	66.2 Å²	66.2	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-44.6	177.3	-177.7	-94.2	0	0	0	112.9	I92 L94 L105 W110 S114 V115 N120 M121 R122	I92-F118 HydrophobicContact CD1-CD1 4.05Å; I92-F118 HydrophobicContact CD1-CE1 4.27Å; I92-F118 HydrophobicContact CG2-CE1 4.11Å; L94-F118 HydrophobicContact CD1-CE1 4.32Å; L94-F118 HydrophobicContact CD1-CZ 4.04Å; L94-F118 HydrophobicContact CD2-CE1 4.29Å; L105-F118 HydrophobicContact CD1-CE1 4.22Å; L105-F118 HydrophobicContact CD1-CZ 3.6Å; L105-F118 HydrophobicContact CD2-CE2 4.25Å; L105-F118 HydrophobicContact CD2-CZ 4.12Å; L105-F118 HydrophobicContact CG-CZ 4.47Å; W110-F118 HydrophobicContact CH2-CB 4.11Å; W110-F118 AromaticContact CH2-CD2 3.56Å; W110-F118 HydrophobicContact CH2-CD2 3.56Å; W110-F118 HydrophobicContact CH2-CE2 4.05Å; W110-F118 AromaticContact CH2-CG 3.82Å; W110-F118 HydrophobicContact CH2-CG 3.82Å; W110-F118 HydrophobicContact CZ3-CB 3.51Å; W110-F118 HydrophobicContact CZ3-CD1 4.28Å; W110-F118 AromaticContact CZ3-CD2 3.87Å; W110-F118 HydrophobicContact CZ3-CD2 3.87Å; W110-F118 AromaticContact CZ3-CG 3.63Å; W110-F118 HydrophobicContact CZ3-CG 3.63Å; S114-F118 VanDerWaalsContact O-CB 3.23Å; S114-F118 WeakPolarHBondContact O-CB 3.25Å; S114-F118 PolarHBondContact O-N 3.17Å; V115-F118 PolarHBondContact O-N 2.86Å; F118-N120 VanDerWaalsContact C-N 3.3Å; F118-N120 PolarHBondContact O-N 2.98Å; F118-M121 PolarHBondContact O-N 3.4Å; F118-R122 HydrophobicContact CD1-CG 4.31Å; F118-R122 HydrophobicContact CD2-CG 4.01Å; F118-R122 HydrophobicContact CE1-CB 4.28Å; F118-R122 HydrophobicContact CE1-CG 4.04Å; F118-R122 HydrophobicContact CE2-CG 3.74Å; F118-R122 HydrophobicContact CG-CG 4.3Å; F118-R122 HydrophobicContact CZ-CB 4.4Å; F118-R122 HydrophobicContact CZ-CG 3.74Å; F118-R122 VanDerWaalsContact O-CB 3.32Å; F118-R122 WeakPolarHBondContact O-CB 3.45Å; F118-R122 WeakPolarHBondContact O-CG 3.33Å; F118-R122 PolarHBondContact O-N 3.28Å
119	L	91.3	Very high	87.5	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-36.5	176.3	-67.5	169	0	0	0	111.6	W77 L80 I92 V115 I116 E117 L123	W77-L119 HydrophobicContact CD2-CB 4.1Å; W77-L119 HydrophobicContact CD2-CD1 4.26Å; W77-L119 HydrophobicContact CE3-CD1 4.21Å; W77-L119 HydrophobicContact CG-CB 4.43Å; W77-L119 HydrophobicContact CH2-CD1 4.22Å; W77-L119 HydrophobicContact CZ2-CB 3.73Å; W77-L119 HydrophobicContact CZ2-CD1 4.24Å; W77-L119 HydrophobicContact CZ3-CD1 4.19Å; W77-L119 PolarHBondContact NE1-O 3.09Å; L80-L119 HydrophobicContact CD1-CD2 3.88Å; L80-L119 HydrophobicContact CD2-CD1 3.81Å; L80-L119 HydrophobicContact CD2-CD2 4.3Å; I92-L119 HydrophobicContact CD1-CD2 4.35Å; V115-L119 HydrophobicContact CG1-CD1 3.84Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 WeakPolarHBondContact O-CG 3.02Å; V115-L119 PolarHBondContact O-N 3.19Å; I116-L119 PolarHBondContact O-N 3.18Å; E117-L119 PolarHBondContact O-N 3.45Å; L119-L123 HydrophobicContact CB-CD1 4.37Å; L119-L123 HydrophobicContact CD2-CD1 3.63Å; L119-L123 HydrophobicContact CD2-CG 4.42Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 PolarHBondContact O-N 3.23Å
120	N	89.6	Confident	87.7	Confident	49 Å²	49	61.4 Å²	61.4	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-37.9	176	-68.9	-27.3	0	0	0	113.2	W77 I116 E117 F118 R125	W77-N120 WeakPolarHBondContact CZ2-OD1 3.31Å; W77-N120 PolarHBondContact NE1-OD1 3.25Å; I116-N120 PolarHBondContact O-N 2.9Å; I116-N120 PolarHBondContact O-ND2 2.01Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å; E117-N120 WeakPolarHBondContact O-CB 3.4Å; E117-N120 PolarHBondContact O-N 2.91Å; E117-N120 VanDerWaalsContact O-N 3.13Å; F118-N120 VanDerWaalsContact C-N 3.3Å; F118-N120 PolarHBondContact O-N 2.98Å; N120-R125 VanDerWaalsContact CG-NH2 3.28Å; N120-R125 PolarHBondContact OD1-NH2 2.8Å
121	M	88.8	Confident	87.8	Confident	66 Å²	66	60.7 Å²	60.7	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-74	-42.4	177.5	-68.7	-175.2	-61.5	0	0	111.2	E45 K47 E117 F118	E45-M121 HydrophobicContact CG-CB 4.36Å; K47-M121 WeakPolarHBondContact CE-O 3.42Å; E117-M121 HydrophobicContact CG-CE 3.96Å; E117-M121 HydrophobicContact CG-SD 4.45Å; E117-M121 WeakPolarHBondContact O-CG 3.25Å; E117-M121 PolarHBondContact O-N 2.97Å; F118-M121 PolarHBondContact O-N 3.4Å
122	R	91	Very high	88.1	Confident	40 Å²	40	58.6 Å²	58.6	15%	0.151	29%	0.285	C	S	.	.	H	α-helix	trans	-100.1	-10.5	-166.8	-58.9	-70	-82.4	178.9	-3.6	115.4	G44 K47 Y48 L94 E103 F118	G44-R122 PolarHBondContact O-NH1 3.13Å; G44-R122 VanDerWaalsContact O-NH1 3.13Å; K47-R122 CarbonylContact C-O 3.52Å; K47-R122 WeakPolarHBondContact CA-O 2.95Å; Y48-R122 PolarHBondContact N-O 3.32Å; L94-R122 HydrophobicContact CD1-CB 4.26Å; L94-R122 HydrophobicContact CD1-CG 4.5Å; L94-R122 HydrophobicContact CD2-CB 4.41Å; E103-R122 IonicContact OE2-CZ 3.74Å; E103-R122 IonicContact OE2-NH2 2.66Å; E103-R122 PolarHBondContact OE2-NH2 3.01Å; F118-R122 HydrophobicContact CD1-CG 4.31Å; F118-R122 HydrophobicContact CD2-CG 4.01Å; F118-R122 HydrophobicContact CE1-CB 4.28Å; F118-R122 HydrophobicContact CE1-CG 4.04Å; F118-R122 HydrophobicContact CE2-CG 3.74Å; F118-R122 HydrophobicContact CG-CG 4.3Å; F118-R122 HydrophobicContact CZ-CB 4.4Å; F118-R122 HydrophobicContact CZ-CG 3.74Å; F118-R122 VanDerWaalsContact O-CB 3.32Å; F118-R122 WeakPolarHBondContact O-CB 3.45Å; F118-R122 WeakPolarHBondContact O-CG 3.33Å; F118-R122 PolarHBondContact O-N 3.28Å
123	L	90.8	Very high	88.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-107.7	143.1	176.6	-73.8	173.7	0	0	0	113.1	Y48 A51 W77 L80 L119	Y48-L123 VanDerWaalsContact O-CD2 3.32Å; Y48-L123 WeakPolarHBondContact O-CD2 3.28Å; A51-L123 HydrophobicContact CB-CD1 4.17Å; A51-L123 HydrophobicContact CB-CD2 3.72Å; A51-L123 HydrophobicContact CB-CG 4.31Å; W77-L123 HydrophobicContact CB-CD1 3.9Å; W77-L123 HydrophobicContact CG-CD1 3.98Å; L80-L123 HydrophobicContact CB-CD1 4.18Å; L80-L123 HydrophobicContact CD1-CD1 4.34Å; L119-L123 HydrophobicContact CB-CD1 4.37Å; L119-L123 HydrophobicContact CD2-CD1 3.63Å; L119-L123 HydrophobicContact CD2-CG 4.42Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 PolarHBondContact O-N 3.23Å
124	I	86.3	Confident	88.6	Confident	77 Å²	77	53.5 Å²	53.5	40%	0.395	25%	0.249	S	C	.	.			trans	-68.3	135.7	166.4	-57	176.9	0	0	0	108.1	K47 Y48 P49	K47-I124 HydrophobicContact CB-CD1 4.43Å; K47-I124 HydrophobicContact CB-CG1 3.45Å; K47-I124 VanDerWaalsContact CB-CG1 3.45Å; Y48-I124 PolarHBondContact O-N 3.07Å; P49-I124 HydrophobicContact CB-CD1 4.31Å
125	R	77.7	Confident	88.5	Confident	194 Å²	194	54.5 Å²	54.5	73%	0.732	24%	0.244	S	C	*	.			trans	-104.2	0	177.8	-81.2	-173.5	175.8	-175.1	0.1	111.3	N120	N120-R125 VanDerWaalsContact CG-NH2 3.28Å; N120-R125 PolarHBondContact OD1-NH2 2.8Å

Retrieved 125 of 125 residues in 334.3 ms (Link to these results)

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