A0A077ZF87_TRITR Loading...

UBFD1 PH-like C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZF87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

						>A0A077ZF87_TRITR|A0A077ZF87
MFFTKCLKNALQPHAKILEKGKPDDVMVGIKDFKDTLPLQPITGMLNKYGRKTRLSFKLDIDELWISTKERTEKIQMNRIRSVVAEPIDGHEDYYIMGLQLGTTEASRYWLYWVPAQFVDAIKKTILN
					

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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	35.5	Very low	43.3	Very low	243 Å²	243	133.1 Å²	133.1	100%	1.197	67%	0.672	S	S	*	*				0	97	0	-157.9	161.1	-175.4	0	0	107.2
2	F	33.2	Very low	44.8	Very low	198 Å²	198	136.7 Å²	136.7	87%	0.868	69%	0.685	S	S	*	*			trans	-65.4	130.5	172	-73.4	-103.7	0	0	0	107.3
3	F	31	Very low	47.8	Very low	196 Å²	196	132.3 Å²	132.3	86%	0.86	67%	0.672	S	S	*	*			trans	170.6	135.8	140.2	-104.9	-91.6	0	0	0	109.9
4	T	38.7	Very low	50.9	Low	105 Å²	105	123.5 Å²	123.5	64%	0.644	63%	0.627	S	S	*	*			trans	60.7	80	174	46	0	0	0	0	118
5	K	43.2	Very low	53.5	Low	170 Å²	170	117.7 Å²	117.7	74%	0.739	61%	0.606	S	S	*	*			trans	-107.3	10.2	169.7	-157.9	174.2	-179.2	-179.6	0	112.8
6	C	48.2	Very low	55.8	Low	115 Å²	115	119.6 Å²	119.6	78%	0.777	61%	0.608	S	S	*	*	S	Bend	trans	-77.4	-28.5	-166.6	-138.3	0	0	0	0	113.9
7	L	50	Low	58.1	Low	22 Å²	22	113.1 Å²	113.1	12%	0.115	58%	0.575	C	S	.	*	S	Bend	trans	-99	-9	179.4	-91.9	156.8	0	0	0	115.1	N9 A10 H14 E86 W110	L7-N9 PolarHBondContact O-N 2.99Å; L7-A10 HydrophobicContact CD2-CB 4.15Å; L7-A10 PolarHBondContact O-N 2.89Å; L7-H14 WeakPolarHBondContact CD2-NE2 3.33Å; L7-E86 VanDerWaalsContact CB-OE2 3.22Å; L7-E86 WeakPolarHBondContact CB-OE2 3.48Å; L7-E86 HydrophobicContact CD1-CB 4.34Å; L7-E86 HydrophobicContact CD1-CG 3.64Å; L7-E86 WeakPolarHBondContact CD1-OE1 3.5Å; L7-E86 WeakPolarHBondContact CD1-OE2 3.47Å; L7-W110 HydrophobicContact CD1-CH2 4.16Å; L7-W110 HydrophobicContact CD2-CH2 3.63Å; L7-W110 HydrophobicContact CD2-CZ2 4.09Å; L7-W110 HydrophobicContact CD2-CZ3 4.42Å; L7-W110 HydrophobicContact CG-CH2 4.5Å
8	K	45.8	Very low	60.1	Low	121 Å²	121	109.2 Å²	109.2	53%	0.526	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	-13.2	177.1	-75.7	-171.7	177.8	-174.2	0	114	L11	K8-L11 HydrophobicContact CB-CD1 4.15Å; K8-L11 HydrophobicContact CB-CG 4.48Å; K8-L11 HydrophobicContact CG-CD1 4.44Å; K8-L11 WeakPolarHBondContact O-CD1 3.24Å; K8-L11 WeakPolarHBondContact O-CG 2.99Å
9	N	45.6	Very low	61.8	Low	161 Å²	161	111.9 Å²	111.9	86%	0.861	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-9.5	173.4	-75.1	-38.9	0	0	0	113.7	L7	L7-N9 PolarHBondContact O-N 2.99Å
10	A	50.9	Low	63.3	Low	37 Å²	37	112.6 Å²	112.6	31%	0.306	57%	0.565	S	S	.	*	S	Bend	trans	-97.9	15.1	172.6	0	0	0	0	0	112.6	L7 Q12 P13 H14	L7-A10 HydrophobicContact CD2-CB 4.15Å; L7-A10 PolarHBondContact O-N 2.89Å; A10-Q12 VanDerWaalsContact C-N 3.31Å; A10-Q12 PolarHBondContact O-N 2.66Å; A10-Q12 VanDerWaalsContact O-N 3.16Å; A10-P13 WeakPolarHBondContact O-CD 3.22Å; A10-P13 WeakPolarHBondContact O-CG 3.5Å; A10-H14 PolarHBondContact O-CD2 3.32Å
11	L	54.1	Low	64.7	Low	96 Å²	96	108.6 Å²	108.6	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-57.7	-35.2	-165.5	-81.5	168	0	0	0	114.9	K8 H14 A15	K8-L11 HydrophobicContact CB-CD1 4.15Å; K8-L11 HydrophobicContact CB-CG 4.48Å; K8-L11 HydrophobicContact CG-CD1 4.44Å; K8-L11 WeakPolarHBondContact O-CD1 3.24Å; K8-L11 WeakPolarHBondContact O-CG 2.99Å; L11-H14 PolarHBondContact O-N 3.04Å; L11-A15 VanDerWaalsContact O-CB 3.3Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.9Å
12	Q	61.6	Low	67.5	Low	176 Å²	176	101.2 Å²	101.2	82%	0.822	51%	0.514	S	S	*	.	H	α-helix	trans	-60.1	-51.2	-171.4	-77.8	-142.3	-12.6	0	0	114.2	A10 H14 K16	A10-Q12 VanDerWaalsContact C-N 3.31Å; A10-Q12 PolarHBondContact O-N 2.66Å; A10-Q12 VanDerWaalsContact O-N 3.16Å; Q12-H14 PolarHBondContact O-N 3.29Å; Q12-K16 PolarHBondContact O-N 3.14Å
13	P	83.1	Confident	70.5	Confident	80 Å²	80	92.4 Å²	92.4	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-34	177.5	20.8	-32.3	0	0	0	113.4	A10	A10-P13 WeakPolarHBondContact O-CD 3.22Å; A10-P13 WeakPolarHBondContact O-CG 3.5Å
14	H	91.1	Very high	73.4	Confident	9 Å²	9	90.9 Å²	90.9	4%	0.042	48%	0.477	C	S	.	.	H	α-helix	trans	-70.6	-47.9	-179.3	-61.9	-49.3	0	0	0	112.1	L7 A10 L11 Q12 K16 I17 L18 I96 W110 Y112	L7-H14 WeakPolarHBondContact CD2-NE2 3.33Å; A10-H14 PolarHBondContact O-CD2 3.32Å; L11-H14 PolarHBondContact O-N 3.04Å; Q12-H14 PolarHBondContact O-N 3.29Å; H14-K16 VanDerWaalsContact C-N 3.31Å; H14-K16 PolarHBondContact O-N 2.8Å; H14-I17 PolarHBondContact O-N 3.08Å; H14-L18 WeakPolarHBondContact O-CG 3.26Å; H14-L18 PolarHBondContact O-N 3.16Å; H14-I96 HydrophobicContact CB-CD1 4.24Å; H14-W110 AromaticContact CE1-CD2 3.56Å; H14-W110 AromaticContact CE1-CE2 3.55Å; H14-W110 AromaticContact CE1-CE3 3.86Å; H14-W110 AromaticContact CE1-CG 3.99Å; H14-W110 AromaticContact CE1-CZ2 3.86Å; H14-W110 AromaticContact CE1-NE1 3.93Å; H14-W110 AromaticContact NE2-CZ2 3.99Å; H14-Y112 HydrophobicContact CB-CE1 4.07Å; H14-Y112 AromaticContact ND1-CE1 3.54Å; H14-Y112 AromaticContact ND1-CZ 3.55Å; H14-Y112 PolarHBondContact ND1-OH 2.76Å
15	A	90	Very high	76.1	Confident	37 Å²	37	89.4 Å²	89.4	31%	0.306	47%	0.465	S	S	.	.	H	α-helix	trans	-55.7	-46.1	-179.7	0	0	0	0	0	111.5	L11 I17 L18 E19	L11-A15 VanDerWaalsContact O-CB 3.3Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.9Å; A15-I17 PolarHBondContact O-N 3.13Å; A15-L18 PolarHBondContact O-N 3.34Å; A15-L18 VanDerWaalsContact O-N 3.12Å; A15-E19 WeakPolarHBondContact O-CB 3.38Å; A15-E19 WeakPolarHBondContact O-CG 3.4Å; A15-E19 PolarHBondContact O-N 3.04Å
16	K	91.6	Very high	78.6	Confident	147 Å²	147	82.1 Å²	82.1	64%	0.639	44%	0.435	S	S	*	.	H	α-helix	trans	-59.7	-30.1	178.8	-174	173.3	-176.8	173.3	0	114	Q12 H14	Q12-K16 PolarHBondContact O-N 3.14Å; H14-K16 VanDerWaalsContact C-N 3.31Å; H14-K16 PolarHBondContact O-N 2.8Å
17	I	94.3	Very high	80.9	Confident	10 Å²	10	79.3 Å²	79.3	5%	0.051	41%	0.411	C	S	.	.	H	α-helix	trans	-82.7	-39.3	176.6	-58.2	-54.7	0	0	0	110.8	H14 A15 E19 K20 L46 Y112	H14-I17 PolarHBondContact O-N 3.08Å; A15-I17 PolarHBondContact O-N 3.13Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.17Å; I17-K20 WeakPolarHBondContact O-CB 3.37Å; I17-K20 PolarHBondContact O-N 3.15Å; I17-L46 HydrophobicContact CG2-CB 4.19Å; I17-L46 HydrophobicContact CG2-CD1 4.09Å; I17-Y112 HydrophobicContact CB-CD1 4.23Å; I17-Y112 HydrophobicContact CB-CD2 4.3Å; I17-Y112 HydrophobicContact CB-CE1 4Å; I17-Y112 HydrophobicContact CB-CE2 4.09Å; I17-Y112 HydrophobicContact CB-CG 4.37Å; I17-Y112 HydrophobicContact CG1-CE2 4.11Å; I17-Y112 HydrophobicContact CG2-CD1 4.04Å; I17-Y112 HydrophobicContact CG2-CD2 3.6Å; I17-Y112 HydrophobicContact CG2-CE1 4.24Å; I17-Y112 HydrophobicContact CG2-CE2 3.84Å; I17-Y112 HydrophobicContact CG2-CG 3.71Å
18	L	93.5	Very high	83.1	Confident	43 Å²	43	83.4 Å²	83.4	23%	0.225	44%	0.437	C	S	.	.	H	α-helix	trans	-65.5	-35.1	176.3	-66.9	179.8	0	0	0	112.6	H14 A15 K20 G21 I88 I96 Y112 W113	H14-L18 WeakPolarHBondContact O-CG 3.26Å; H14-L18 PolarHBondContact O-N 3.16Å; A15-L18 PolarHBondContact O-N 3.34Å; A15-L18 VanDerWaalsContact O-N 3.12Å; L18-K20 PolarHBondContact O-N 3.25Å; L18-K20 VanDerWaalsContact O-N 3.16Å; L18-G21 WeakPolarHBondContact O-CA 3.3Å; L18-G21 PolarHBondContact O-N 2.89Å; L18-I88 HydrophobicContact CD1-CG2 4.17Å; L18-I88 HydrophobicContact CD2-CD1 3.78Å; L18-I88 HydrophobicContact CD2-CG1 4.2Å; L18-I88 HydrophobicContact CD2-CG2 4.2Å; L18-I96 HydrophobicContact CD1-CD1 4Å; L18-Y112 HydrophobicContact CD2-CD1 3.97Å; L18-Y112 HydrophobicContact CG-CD1 4.32Å; L18-W113 HydrophobicContact CD2-CH2 4.32Å; L18-W113 HydrophobicContact CD2-CZ2 3.78Å
19	E	92.3	Very high	85.5	Confident	160 Å²	160	78 Å²	78	75%	0.748	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.6	174.1	-78.8	172.4	-178.8	0	0	113.4	A15 I17 G21	A15-E19 WeakPolarHBondContact O-CB 3.38Å; A15-E19 WeakPolarHBondContact O-CG 3.4Å; A15-E19 PolarHBondContact O-N 3.04Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.17Å; E19-G21 PolarHBondContact O-N 3.27Å
20	K	92.3	Very high	87.9	Confident	125 Å²	125	74.1 Å²	74.1	54%	0.543	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.2	172.5	-62.3	-175.2	172.3	-171.1	0	112.9	I17 L18 Y49	I17-K20 WeakPolarHBondContact O-CB 3.37Å; I17-K20 PolarHBondContact O-N 3.15Å; L18-K20 PolarHBondContact O-N 3.25Å; L18-K20 VanDerWaalsContact O-N 3.16Å; K20-Y49 PolarHBondContact NZ-O 3.4Å
21	G	92.7	Very high	89.9	Confident	30 Å²	30	77.3 Å²	77.3	31%	0.309	40%	0.401	S	S	.	.			trans	83.6	170.5	-178.2	0	0	0	0	0	113.8	L18 E19 W113	L18-G21 WeakPolarHBondContact O-CA 3.3Å; L18-G21 PolarHBondContact O-N 2.89Å; E19-G21 PolarHBondContact O-N 3.27Å; G21-W113 PolarHBondContact O-NE1 3.09Å; G21-W113 VanDerWaalsContact O-NE1 3.09Å
22	K	94.4	Very high	91.8	Very high	88 Å²	88	80.1 Å²	80.1	38%	0.383	42%	0.416	S	S	.	.			trans	-70.8	128.1	174.6	-174.7	172.5	77.4	168.2	0	109.7	V26 Y94 W113	K22-V26 HydrophobicContact CD-CG1 3.75Å; K22-V26 HydrophobicContact CG-CG1 3.61Å; K22-Y94 HydrophobicContact CD-CD2 4.03Å; K22-Y94 HydrophobicContact CD-CE1 4.28Å; K22-Y94 HydrophobicContact CD-CE2 3.42Å; K22-Y94 VanDerWaalsContact CD-CE2 3.42Å; K22-Y94 PolarHBondContact NZ-OH 3.38Å; K22-W113 HydrophobicContact CB-CD2 4.02Å; K22-W113 HydrophobicContact CB-CE3 3.98Å; K22-W113 HydrophobicContact CB-CH2 4.19Å; K22-W113 HydrophobicContact CB-CZ2 4.23Å; K22-W113 HydrophobicContact CB-CZ3 4.06Å; K22-W113 HydrophobicContact CD-CE3 4.23Å; K22-W113 HydrophobicContact CG-CD2 4.11Å; K22-W113 HydrophobicContact CG-CE3 3.97Å; K22-W113 HydrophobicContact CG-CG 4.44Å; K22-W113 HydrophobicContact CG-CZ3 4.44Å
23	P	95	Very high	93.4	Very high	13 Å²	13	76.5 Å²	76.5	8%	0.084	40%	0.398	C	S	.	.			trans	-64.6	141.1	177	-24.8	37.2	0	0	0	112.4	D25 V26 G44 L46 W113	P23-D25 WeakPolarHBondContact CB-OD1 3.46Å; P23-D25 PolarHBondContact O-N 3.5Å; P23-V26 WeakPolarHBondContact O-CB 3.43Å; P23-V26 WeakPolarHBondContact O-CG1 3.44Å; P23-V26 PolarHBondContact O-N 2.85Å; P23-V26 VanDerWaalsContact O-N 3.15Å; P23-G44 VanDerWaalsContact CB-O 3.27Å; P23-G44 WeakPolarHBondContact CB-O 3.44Å; P23-G44 WeakPolarHBondContact CG-O 3.33Å; P23-L46 HydrophobicContact CG-CD1 4.05Å; P23-L46 HydrophobicContact CG-CD2 3.6Å; P23-L46 HydrophobicContact CG-CG 3.56Å; P23-W113 VanDerWaalsContact CD-CD1 3.49Å
24	D	93.7	Very high	94	Very high	164 Å²	164	80 Å²	80	88%	0.877	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.8	-177.5	-49.3	-40	0	0	0	113.9
25	D	93.8	Very high	94.2	Very high	73 Å²	73	82.6 Å²	82.6	39%	0.39	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.1	-179.2	63	-31.8	0	0	0	113.1	P23 K52	P23-D25 WeakPolarHBondContact CB-OD1 3.46Å; P23-D25 PolarHBondContact O-N 3.5Å; D25-K52 WeakPolarHBondContact OD1-CE 3.44Å; D25-K52 IonicContact OD1-NZ 2.74Å; D25-K52 PolarHBondContact OD1-NZ 3.15Å; D25-K52 WeakPolarHBondContact OD2-CD 3.35Å; D25-K52 IonicContact OD2-NZ 3.24Å; D25-K52 PolarHBondContact OD2-NZ 3.22Å
26	V	95.7	Very high	94.5	Very high	17 Å²	17	86 Å²	86	10%	0.103	44%	0.436	C	S	.	.	S	Bend	trans	-65.9	138.8	172.1	78.2	0	0	0	0	109.6	K22 P23 G44 Y94 W113	K22-V26 HydrophobicContact CD-CG1 3.75Å; K22-V26 HydrophobicContact CG-CG1 3.61Å; P23-V26 WeakPolarHBondContact O-CB 3.43Å; P23-V26 WeakPolarHBondContact O-CG1 3.44Å; P23-V26 PolarHBondContact O-N 2.85Å; P23-V26 VanDerWaalsContact O-N 3.15Å; V26-G44 WeakPolarHBondContact CB-O 3.21Å; V26-G44 WeakPolarHBondContact CG2-O 3.39Å; V26-Y94 HydrophobicContact CG1-CE1 4.01Å; V26-Y94 HydrophobicContact CG2-CD1 4.48Å; V26-Y94 HydrophobicContact CG2-CE1 3.83Å; V26-W113 HydrophobicContact CG2-CB 4.26Å; V26-W113 WeakPolarHBondContact CG2-O 3.29Å
27	M	96.6	Very high	94.5	Very high	56 Å²	56	80.4 Å²	80.4	28%	0.276	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-58	146.4	168.3	-67	-179.9	72	0	0	110.1	G29 I42 T43 Y94 P115 F118	M27-G29 PolarHBondContact O-N 3.39Å; M27-I42 HydrophobicContact SD-CB 4.26Å; M27-I42 HydrophobicContact SD-CG2 3.96Å; M27-T43 PolarHBondContact N-O 2.93Å; M27-Y94 WeakPolarHBondContact O-CE1 3.47Å; M27-Y94 PolarHBondContact O-OH 2.75Å; M27-Y94 VanDerWaalsContact O-OH 3.09Å; M27-P115 HydrophobicContact CB-CG 4Å; M27-F118 HydrophobicContact CE-CE2 3.68Å; M27-F118 HydrophobicContact CE-CZ 3.81Å; M27-F118 HydrophobicContact SD-CE2 4.12Å
28	V	96	Very high	94.4	Very high	109 Å²	109	81.3 Å²	81.3	66%	0.661	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-61.7	127.3	179.2	177.8	0	0	0	0	109.4	Q117	V28-Q117 PolarHBondContact O-NE2 3.31Å
29	G	96.4	Very high	94.3	Very high	8 Å²	8	87.6 Å²	87.6	8%	0.082	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-77.6	135.8	171.5	0	0	0	0	0	110.4	M27 D93 Y94	M27-G29 PolarHBondContact O-N 3.39Å; G29-D93 WeakPolarHBondContact CA-O 3.42Å; G29-Y94 PolarHBondContact N-OH 2.84Å
30	I	96.4	Very high	94.4	Very high	78 Å²	78	86.3 Å²	86.3	40%	0.4	45%	0.447	S	S	.	.			trans	-122.2	107.5	173.8	-51.7	176.3	0	0	0	107.6	F33 Q117	I30-F33 HydrophobicContact CB-CB 4.11Å; I30-F33 HydrophobicContact CB-CD1 4.45Å; I30-F33 HydrophobicContact CD1-CD1 4.35Å; I30-F33 HydrophobicContact CG2-CB 3.52Å; I30-F33 HydrophobicContact CG2-CD1 4.34Å; I30-F33 HydrophobicContact CG2-CG 4.18Å; I30-Q117 HydrophobicContact CB-CB 4.4Å
31	K	94.2	Very high	94.5	Very high	105 Å²	105	82.7 Å²	82.7	46%	0.457	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	146.1	177	-168.7	-175.6	174.6	171.5	0	110.7	F33 E92 D93	K31-F33 PolarHBondContact O-N 3.43Å; K31-E92 HydrophobicContact CD-CB 4.01Å; K31-D93 HydrophobicContact CB-CB 4.24Å
32	D	93.1	Very high	94.7	Very high	154 Å²	154	81.3 Å²	81.3	82%	0.824	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	13.2	175.6	-55.6	-42	0	0	0	115.2
33	F	95.7	Very high	94.7	Very high	100 Å²	100	79.7 Å²	79.7	44%	0.439	42%	0.419	S	S	.	.			trans	-108.4	145.9	171.9	-176.1	-115.2	0	0	0	109.6	I30 K31 D35 Q117	I30-F33 HydrophobicContact CB-CB 4.11Å; I30-F33 HydrophobicContact CB-CD1 4.45Å; I30-F33 HydrophobicContact CD1-CD1 4.35Å; I30-F33 HydrophobicContact CG2-CB 3.52Å; I30-F33 HydrophobicContact CG2-CD1 4.34Å; I30-F33 HydrophobicContact CG2-CG 4.18Å; K31-F33 PolarHBondContact O-N 3.43Å; F33-D35 HydrophobicContact CD1-CB 4.13Å; F33-D35 HydrophobicContact CE1-CB 3.62Å; F33-D35 HydrophobicContact CZ-CB 4.47Å; F33-Q117 HydrophobicContact CB-CB 4.44Å; F33-Q117 HydrophobicContact CD1-CB 3.79Å; F33-Q117 HydrophobicContact CD1-CG 4.42Å; F33-Q117 VanDerWaalsContact O-CA 3.22Å; F33-Q117 WeakPolarHBondContact O-CA 3.44Å; F33-Q117 WeakPolarHBondContact O-CB 3.37Å
34	K	95.2	Very high	94.5	Very high	153 Å²	153	79.2 Å²	79.2	67%	0.665	42%	0.416	S	S	*	.			trans	-122.1	116.2	174.1	-60.7	-175.1	-174.7	-160.4	0	108	D120	K34-D120 HydrophobicContact CD-CB 4.48Å; K34-D120 VanDerWaalsContact CD-OD2 3.24Å; K34-D120 WeakPolarHBondContact CD-OD2 3.47Å; K34-D120 WeakPolarHBondContact CE-OD2 3.25Å; K34-D120 IonicContact NZ-OD2 2.66Å; K34-D120 PolarHBondContact NZ-OD2 3.28Å
35	D	95.7	Very high	94.6	Very high	65 Å²	65	71.4 Å²	71.4	35%	0.348	38%	0.375	S	S	.	.			trans	-107.4	164.4	178.6	-153.2	-14.3	0	0	0	110.6	F33 Q117 F118 A121	F33-D35 HydrophobicContact CD1-CB 4.13Å; F33-D35 HydrophobicContact CE1-CB 3.62Å; F33-D35 HydrophobicContact CZ-CB 4.47Å; D35-Q117 HydrophobicContact CB-CB 4.09Å; D35-Q117 HydrophobicContact CB-CG 3.95Å; D35-Q117 PolarHBondContact N-O 2.96Å; D35-F118 HydrophobicContact CB-CD1 4.1Å; D35-F118 HydrophobicContact CB-CE1 3.86Å; D35-A121 WeakPolarHBondContact O-CB 3.2Å
36	T	95	Very high	94.8	Very high	107 Å²	107	68.3 Å²	68.3	66%	0.656	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-75.7	162.5	168.9	58.3	0	0	0	0	111.2	F118	T36-F118 WeakPolarHBondContact O-CD1 3.45Å; T36-F118 WeakPolarHBondContact O-CE1 3.32Å
37	L	93.2	Very high	94.8	Very high	30 Å²	30	67.6 Å²	67.6	16%	0.157	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64.8	129.8	172.7	-74.4	-179.2	0	0	0	110	I42 F57 A121 I122 T125	L37-I42 HydrophobicContact CD2-CD1 4.27Å; L37-F57 HydrophobicContact CD1-CB 4.28Å; L37-F57 HydrophobicContact CD1-CD1 3.64Å; L37-F57 HydrophobicContact CD1-CD2 4.04Å; L37-F57 HydrophobicContact CD1-CE1 3.94Å; L37-F57 HydrophobicContact CD1-CE2 4.34Å; L37-F57 HydrophobicContact CD1-CG 3.71Å; L37-F57 HydrophobicContact CD1-CZ 4.31Å; L37-F57 HydrophobicContact CD2-CD2 4.17Å; L37-F57 HydrophobicContact CD2-CE1 4.5Å; L37-F57 HydrophobicContact CD2-CE2 3.88Å; L37-F57 HydrophobicContact CD2-CZ 4.08Å; L37-A121 HydrophobicContact CD2-CB 4.02Å; L37-A121 HydrophobicContact CG-CB 3.88Å; L37-I122 HydrophobicContact CD2-CG1 3.61Å; L37-T125 HydrophobicContact CD1-CG2 3.72Å; L37-T125 WeakPolarHBondContact CD1-OG1 3.08Å
38	P	91.8	Very high	94.6	Very high	30 Å²	30	69.1 Å²	69.1	20%	0.195	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-67.9	151.9	176.4	27.4	-32.1	0	0	0	110.9	Q40 I42 F118	P38-Q40 WeakPolarHBondContact CG-O 3.35Å; P38-Q40 PolarHBondContact O-N 2.86Å; P38-I42 HydrophobicContact CG-CD1 4.4Å; P38-I42 HydrophobicContact CG-CG1 3.69Å; P38-F118 HydrophobicContact CG-CE1 4.24Å; P38-F118 HydrophobicContact CG-CZ 4.19Å
39	L	91.1	Very high	94.4	Very high	175 Å²	175	70 Å²	70	92%	0.916	35%	0.351	S	S	*	.	S	Bend	trans	-69.4	-27.8	171.1	-66.2	176.4	0	0	0	111.8
40	Q	93.7	Very high	94.3	Very high	133 Å²	133	70.5 Å²	70.5	62%	0.621	36%	0.356	S	S	*	.	S	Bend	trans	-85.1	156.7	174.4	-60.1	78.7	36.2	0	0	110.5	P38	P38-Q40 WeakPolarHBondContact CG-O 3.35Å; P38-Q40 PolarHBondContact O-N 2.86Å
41	P	95.7	Very high	94.3	Very high	49 Å²	49	72.4 Å²	72.4	32%	0.318	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-58.6	142	175.5	-21.2	32.5	0	0	0	111.7	T43 R54 L55 S56	P41-T43 HydrophobicContact CB-CG2 4.28Å; P41-T43 PolarHBondContact O-N 2.88Å; P41-R54 HydrophobicContact CB-CB 4.34Å; P41-L55 CarbonylContact C-O 3.57Å; P41-L55 WeakPolarHBondContact CA-O 3.18Å; P41-L55 WeakPolarHBondContact CB-O 3.33Å; P41-S56 WeakPolarHBondContact CB-OG 3.22Å; P41-S56 WeakPolarHBondContact CG-OG 3.35Å
42	I	96.6	Very high	94.4	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.6	166.5	-55.2	175.5	0	0	0	107	M27 L37 P38 M45 R54 L55 F57 P115 F118 I122	M27-I42 HydrophobicContact SD-CB 4.26Å; M27-I42 HydrophobicContact SD-CG2 3.96Å; L37-I42 HydrophobicContact CD2-CD1 4.27Å; P38-I42 HydrophobicContact CG-CD1 4.4Å; P38-I42 HydrophobicContact CG-CG1 3.69Å; I42-M45 HydrophobicContact CB-CE 3.88Å; I42-M45 HydrophobicContact CG2-CE 3.62Å; I42-M45 HydrophobicContact CG2-SD 4.04Å; I42-M45 WeakPolarHBondContact O-CE 3.42Å; I42-R54 CarbonylContact O-C 3.53Å; I42-R54 WeakPolarHBondContact O-CA 3.34Å; I42-R54 WeakPolarHBondContact O-CB 3.32Å; I42-L55 HydrophobicContact CB-CB 4.46Å; I42-L55 PolarHBondContact N-O 3.05Å; I42-L55 PolarHBondContact O-N 3.08Å; I42-F57 HydrophobicContact CD1-CE2 4.11Å; I42-P115 HydrophobicContact CG2-CG 4.31Å; I42-F118 HydrophobicContact CD1-CB 3.9Å; I42-F118 HydrophobicContact CD1-CD2 3.88Å; I42-F118 HydrophobicContact CD1-CG 3.92Å; I42-F118 HydrophobicContact CG1-CD2 4.25Å; I42-F118 HydrophobicContact CG2-CD2 4.25Å; I42-I122 HydrophobicContact CD1-CD1 3.94Å; I42-I122 HydrophobicContact CD1-CG1 4.31Å
43	T	95	Very high	94.6	Very high	53 Å²	53	65.3 Å²	65.3	33%	0.325	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	164.1	-170.4	58.3	0	0	0	0	114.1	M27 P41 M45 R54	M27-T43 PolarHBondContact N-O 2.93Å; P41-T43 HydrophobicContact CB-CG2 4.28Å; P41-T43 PolarHBondContact O-N 2.88Å; T43-M45 VanDerWaalsContact C-N 3.34Å; T43-M45 PolarHBondContact O-N 3.37Å; T43-R54 HydrophobicContact CG2-CB 4.09Å
44	G	89.6	Confident	94.6	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.2	18.7	169.8	0	0	0	0	0	115.3	P23 V26	P23-G44 VanDerWaalsContact CB-O 3.27Å; P23-G44 WeakPolarHBondContact CB-O 3.44Å; P23-G44 WeakPolarHBondContact CG-O 3.33Å; V26-G44 WeakPolarHBondContact CB-O 3.21Å; V26-G44 WeakPolarHBondContact CG2-O 3.39Å
45	M	96.7	Very high	94.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	166.6	168.8	-68.7	164.6	-70.6	0	0	110.7	I42 T43 K52 T53 L55 Y112 V114	I42-M45 HydrophobicContact CB-CE 3.88Å; I42-M45 HydrophobicContact CG2-CE 3.62Å; I42-M45 HydrophobicContact CG2-SD 4.04Å; I42-M45 WeakPolarHBondContact O-CE 3.42Å; T43-M45 VanDerWaalsContact C-N 3.34Å; T43-M45 PolarHBondContact O-N 3.37Å; M45-K52 CarbonylContact O-C 3.57Å; M45-K52 WeakPolarHBondContact O-CA 3.46Å; M45-T53 PolarHBondContact N-O 3.48Å; M45-T53 VanDerWaalsContact N-O 3.16Å; M45-T53 PolarHBondContact O-N 3.41Å; M45-L55 HydrophobicContact CE-CB 4.09Å; M45-L55 HydrophobicContact CE-CD1 4.03Å; M45-L55 HydrophobicContact CE-CG 3.62Å; M45-L55 HydrophobicContact SD-CD1 4.21Å; M45-L55 HydrophobicContact SD-CG 4.37Å; M45-Y112 WeakPolarHBondContact CA-O 3.3Å; M45-Y112 WeakPolarHBondContact CB-O 3.42Å; M45-V114 HydrophobicContact CG-CG2 4.42Å; M45-V114 HydrophobicContact SD-CB 4.39Å; M45-V114 HydrophobicContact SD-CG1 4.38Å; M45-V114 HydrophobicContact SD-CG2 3.89Å
46	L	96.9	Very high	94.8	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.1	169.2	-59.6	179.8	0	0	0	111.3	I17 P23 R51 K52 L111 Y112	I17-L46 HydrophobicContact CG2-CB 4.19Å; I17-L46 HydrophobicContact CG2-CD1 4.09Å; P23-L46 HydrophobicContact CG-CD1 4.05Å; P23-L46 HydrophobicContact CG-CD2 3.6Å; P23-L46 HydrophobicContact CG-CG 3.56Å; L46-R51 WeakPolarHBondContact CA-O 3.38Å; L46-K52 HydrophobicContact CD2-CG 4.27Å; L46-L111 CarbonylContact O-C 3.5Å; L46-L111 WeakPolarHBondContact O-CA 3.16Å; L46-Y112 PolarHBondContact N-O 2.85Å; L46-Y112 VanDerWaalsContact N-O 3.1Å; L46-Y112 PolarHBondContact O-N 2.94Å
47	N	95.5	Very high	94.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-178	166.5	66	22.4	0	0	0	112.7	Y49 G50 R51 T53 Y109 W110	N47-Y49 PolarHBondContact O-N 3.44Å; N47-Y49 WeakPolarHBondContact OD1-CA 3.14Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.41Å; N47-Y49 PolarHBondContact OD1-N 3.02Å; N47-G50 WeakPolarHBondContact O-CA 3.07Å; N47-G50 PolarHBondContact O-N 3.49Å; N47-G50 PolarHBondContact OD1-N 3.43Å; N47-R51 PolarHBondContact N-O 3.02Å; N47-R51 PolarHBondContact OD1-N 3.23Å; N47-R51 VanDerWaalsContact OD1-N 3.08Å; N47-T53 WeakPolarHBondContact CB-OG1 3.13Å; N47-T53 PolarHBondContact ND2-OG1 3.39Å; N47-Y109 HydrophobicContact CB-CE1 4Å; N47-Y109 WeakPolarHBondContact CB-OH 3.4Å; N47-W110 CarbonylContact C-O 3.43Å; N47-W110 WeakPolarHBondContact CA-O 3.27Å
48	K	92.9	Very high	95	Very high	88 Å²	88	54.4 Å²	54.4	38%	0.383	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-15	176.3	73.4	179.3	-179.9	-177.5	0	116.4	W110	K48-W110 HydrophobicContact CB-CB 4.27Å; K48-W110 PolarHBondContact N-O 3.49Å
49	Y	93	Very high	95.1	Very high	129 Å²	129	57.7 Å²	57.7	51%	0.506	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.6	175.2	-53.3	-74	0	0	0	112.1	K20 N47 R51	K20-Y49 PolarHBondContact NZ-O 3.4Å; N47-Y49 PolarHBondContact O-N 3.44Å; N47-Y49 WeakPolarHBondContact OD1-CA 3.14Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.41Å; N47-Y49 PolarHBondContact OD1-N 3.02Å; Y49-R51 VanDerWaalsContact C-N 3.32Å
50	G	94.1	Very high	95.3	Very high	17 Å²	17	55.6 Å²	55.6	18%	0.175	26%	0.264	C	S	.	.	S	Bend	trans	69.1	28.3	-174	0	0	0	0	0	113.1	N47	N47-G50 WeakPolarHBondContact O-CA 3.07Å; N47-G50 PolarHBondContact O-N 3.49Å; N47-G50 PolarHBondContact OD1-N 3.43Å
51	R	95.1	Very high	95.4	Very high	119 Å²	119	53.2 Å²	53.2	45%	0.449	26%	0.255	S	S	.	.			trans	-91.5	144.7	171.4	-62.3	-177.7	-176.6	178.3	-0.1	109.6	L46 N47 Y49 T53	L46-R51 WeakPolarHBondContact CA-O 3.38Å; N47-R51 PolarHBondContact N-O 3.02Å; N47-R51 PolarHBondContact OD1-N 3.23Å; N47-R51 VanDerWaalsContact OD1-N 3.08Å; Y49-R51 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 3.16Å; R51-T53 PolarHBondContact O-OG1 2.89Å
52	K	96.6	Very high	95.3	Very high	105 Å²	105	55.6 Å²	55.6	46%	0.457	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.9	174	-64	-167.8	180	-159.9	0	110.3	D25 M45 L46	D25-K52 WeakPolarHBondContact OD1-CE 3.44Å; D25-K52 IonicContact OD1-NZ 2.74Å; D25-K52 PolarHBondContact OD1-NZ 3.15Å; D25-K52 WeakPolarHBondContact OD2-CD 3.35Å; D25-K52 IonicContact OD2-NZ 3.24Å; D25-K52 PolarHBondContact OD2-NZ 3.22Å; M45-K52 CarbonylContact O-C 3.57Å; M45-K52 WeakPolarHBondContact O-CA 3.46Å; L46-K52 HydrophobicContact CD2-CG 4.27Å
53	T	96.6	Very high	95.4	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.8	-174.9	-62.8	0	0	0	0	109.4	M45 N47 R51 I66 S67 L111	M45-T53 PolarHBondContact N-O 3.48Å; M45-T53 VanDerWaalsContact N-O 3.16Å; M45-T53 PolarHBondContact O-N 3.41Å; N47-T53 WeakPolarHBondContact CB-OG1 3.13Å; N47-T53 PolarHBondContact ND2-OG1 3.39Å; R51-T53 PolarHBondContact O-N 3.16Å; R51-T53 PolarHBondContact O-OG1 2.89Å; T53-I66 HydrophobicContact CG2-CG2 3.37Å; T53-S67 CarbonylContact C-O 3.59Å; T53-S67 VanDerWaalsContact CA-O 3.31Å; T53-S67 WeakPolarHBondContact CA-O 3.46Å; T53-L111 HydrophobicContact CG2-CD2 3.84Å
54	R	97.1	Very high	95.5	Very high	92 Å²	92	54.4 Å²	54.4	35%	0.347	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.9	172	61.4	-169.2	179.3	-85.9	0.7	110.2	P41 I42 T43 S67 T68	P41-R54 HydrophobicContact CB-CB 4.34Å; I42-R54 CarbonylContact O-C 3.53Å; I42-R54 WeakPolarHBondContact O-CA 3.34Å; I42-R54 WeakPolarHBondContact O-CB 3.32Å; T43-R54 HydrophobicContact CG2-CB 4.09Å; R54-S67 PolarHBondContact N-O 2.83Å; R54-S67 PolarHBondContact O-N 3.09Å; R54-T68 PolarHBondContact NH1-O 3.28Å; R54-T68 PolarHBondContact NH2-O 2.96Å
55	L	97.8	Very high	95.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.1	174.6	-63.6	-178.3	0	0	0	109.9	P41 I42 M45 F57 L64 W65 I66 M97 L111	P41-L55 CarbonylContact C-O 3.57Å; P41-L55 WeakPolarHBondContact CA-O 3.18Å; P41-L55 WeakPolarHBondContact CB-O 3.33Å; I42-L55 HydrophobicContact CB-CB 4.46Å; I42-L55 PolarHBondContact N-O 3.05Å; I42-L55 PolarHBondContact O-N 3.08Å; M45-L55 HydrophobicContact CE-CB 4.09Å; M45-L55 HydrophobicContact CE-CD1 4.03Å; M45-L55 HydrophobicContact CE-CG 3.62Å; M45-L55 HydrophobicContact SD-CD1 4.21Å; M45-L55 HydrophobicContact SD-CG 4.37Å; L55-F57 HydrophobicContact CB-CE2 3.98Å; L55-F57 HydrophobicContact CB-CZ 4.5Å; L55-F57 HydrophobicContact CD1-CE2 4.49Å; L55-F57 HydrophobicContact CD1-CZ 4.35Å; L55-L64 HydrophobicContact CB-CD1 4.24Å; L55-L64 HydrophobicContact CD2-CD1 4.12Å; L55-W65 WeakPolarHBondContact CA-O 3.36Å; L55-I66 HydrophobicContact CD2-CB 4.33Å; L55-I66 HydrophobicContact CD2-CD1 4.44Å; L55-I66 HydrophobicContact CD2-CG1 3.8Å; L55-I66 HydrophobicContact CD2-CG2 4.2Å; L55-M97 HydrophobicContact CD1-CE 4.13Å; L55-L111 HydrophobicContact CD1-CD1 3.89Å; L55-L111 HydrophobicContact CD2-CD1 4.07Å; L55-L111 HydrophobicContact CD2-CD2 4.35Å; L55-L111 HydrophobicContact CG-CD1 4.4Å
56	S	97.4	Very high	95.9	Very high	18 Å²	18	57.2 Å²	57.2	13%	0.126	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.6	169.7	-49.1	0	0	0	0	109.3	P41 W65	P41-S56 WeakPolarHBondContact CB-OG 3.22Å; P41-S56 WeakPolarHBondContact CG-OG 3.35Å; S56-W65 PolarHBondContact N-O 3.49Å; S56-W65 PolarHBondContact O-N 3.01Å
57	F	96.5	Very high	95.9	Very high	31 Å²	31	57 Å²	57	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.3	178.3	-64.6	-98.5	0	0	0	109	L37 I42 L55 L59 L64 M77 I122 T125 I126	L37-F57 HydrophobicContact CD1-CB 4.28Å; L37-F57 HydrophobicContact CD1-CD1 3.64Å; L37-F57 HydrophobicContact CD1-CD2 4.04Å; L37-F57 HydrophobicContact CD1-CE1 3.94Å; L37-F57 HydrophobicContact CD1-CE2 4.34Å; L37-F57 HydrophobicContact CD1-CG 3.71Å; L37-F57 HydrophobicContact CD1-CZ 4.31Å; L37-F57 HydrophobicContact CD2-CD2 4.17Å; L37-F57 HydrophobicContact CD2-CE1 4.5Å; L37-F57 HydrophobicContact CD2-CE2 3.88Å; L37-F57 HydrophobicContact CD2-CZ 4.08Å; I42-F57 HydrophobicContact CD1-CE2 4.11Å; L55-F57 HydrophobicContact CB-CE2 3.98Å; L55-F57 HydrophobicContact CB-CZ 4.5Å; L55-F57 HydrophobicContact CD1-CE2 4.49Å; L55-F57 HydrophobicContact CD1-CZ 4.35Å; F57-L59 HydrophobicContact CB-CD2 3.97Å; F57-L59 HydrophobicContact CB-CG 4.45Å; F57-L64 HydrophobicContact CD1-CD1 3.95Å; F57-L64 HydrophobicContact CD2-CD1 4.42Å; F57-L64 HydrophobicContact CE1-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CD1 4.1Å; F57-L64 HydrophobicContact CG-CD1 4.32Å; F57-L64 HydrophobicContact CZ-CD1 3.66Å; F57-M77 HydrophobicContact CB-CE 4.44Å; F57-M77 HydrophobicContact CD1-CE 3.84Å; F57-I122 HydrophobicContact CE1-CG2 4.36Å; F57-I122 HydrophobicContact CE2-CG1 4.35Å; F57-I122 HydrophobicContact CZ-CB 4.34Å; F57-I122 HydrophobicContact CZ-CG1 3.77Å; F57-I122 HydrophobicContact CZ-CG2 4.04Å; F57-T125 HydrophobicContact CD1-CG2 4.02Å; F57-I126 HydrophobicContact CE1-CD1 4.44Å; F57-I126 HydrophobicContact CE1-CG1 4.36Å
58	K	95.7	Very high	95.9	Very high	84 Å²	84	57.1 Å²	57.1	37%	0.365	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	79.6	175.1	-63.6	-58.1	-172.1	179.1	0	108.4	D60 I61 D62 E63 W65	K58-D60 PolarHBondContact O-N 2.83Å; K58-I61 HydrophobicContact CB-CD1 4.13Å; K58-I61 HydrophobicContact CB-CG1 3.77Å; K58-I61 PolarHBondContact O-N 3.1Å; K58-D62 PolarHBondContact O-N 2.84Å; K58-D62 VanDerWaalsContact O-N 3.09Å; K58-E63 HydrophobicContact CB-CB 4.21Å; K58-E63 PolarHBondContact N-O 3.31Å; K58-E63 PolarHBondContact O-N 2.83Å; K58-W65 HydrophobicContact CG-CD2 4.31Å; K58-W65 HydrophobicContact CG-CG 4.45Å; K58-W65 HydrophobicContact CG-CZ2 4.31Å
59	L	93.9	Very high	95.9	Very high	100 Å²	100	62 Å²	62	52%	0.524	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.4	-172.4	-55.2	-178	0	0	0	113.2	F57 I61 M77 T125	F57-L59 HydrophobicContact CB-CD2 3.97Å; F57-L59 HydrophobicContact CB-CG 4.45Å; L59-I61 VanDerWaalsContact C-N 3.27Å; L59-I61 PolarHBondContact O-N 2.96Å; L59-M77 HydrophobicContact CD2-CE 4.01Å; L59-T125 HydrophobicContact CD2-CG2 3.51Å
60	D	94.4	Very high	96	Very high	131 Å²	131	61.8 Å²	61.8	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24.1	177.4	56.1	-50.7	0	0	0	113.3	K58	K58-D60 PolarHBondContact O-N 2.83Å
61	I	95.5	Very high	96.1	Very high	83 Å²	83	67 Å²	67	43%	0.426	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	14.5	-177.6	59.1	170	0	0	0	112.4	K58 L59 E63	K58-I61 HydrophobicContact CB-CD1 4.13Å; K58-I61 HydrophobicContact CB-CG1 3.77Å; K58-I61 PolarHBondContact O-N 3.1Å; L59-I61 VanDerWaalsContact C-N 3.27Å; L59-I61 PolarHBondContact O-N 2.96Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 HydrophobicContact CD1-CB 4.26Å; I61-E63 HydrophobicContact CD1-CG 3.96Å; I61-E63 WeakPolarHBondContact CD1-OE2 3.39Å; I61-E63 HydrophobicContact CG1-CB 4.17Å; I61-E63 HydrophobicContact CG1-CG 4.01Å; I61-E63 PolarHBondContact O-N 2.84Å
62	D	95.2	Very high	96.2	Very high	98 Å²	98	64.4 Å²	64.4	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	45.8	-178.3	-65.8	-37.1	0	0	0	114.1	K58 M77	K58-D62 PolarHBondContact O-N 2.84Å; K58-D62 VanDerWaalsContact O-N 3.09Å; D62-M77 WeakPolarHBondContact O-CB 3.46Å; D62-M77 WeakPolarHBondContact O-CG 3.4Å; D62-M77 PolarHBondContact O-N 3.33Å
63	E	97.1	Very high	96.2	Very high	29 Å²	29	62.8 Å²	62.8	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.7	176.7	-68.2	-169.5	158	0	0	113.3	K58 I61 W65 I75 Q76 M77	K58-E63 HydrophobicContact CB-CB 4.21Å; K58-E63 PolarHBondContact N-O 3.31Å; K58-E63 PolarHBondContact O-N 2.83Å; I61-E63 VanDerWaalsContact C-N 3.3Å; I61-E63 HydrophobicContact CD1-CB 4.26Å; I61-E63 HydrophobicContact CD1-CG 3.96Å; I61-E63 WeakPolarHBondContact CD1-OE2 3.39Å; I61-E63 HydrophobicContact CG1-CB 4.17Å; I61-E63 HydrophobicContact CG1-CG 4.01Å; I61-E63 PolarHBondContact O-N 2.84Å; E63-W65 PolarHBondContact OE2-NE1 3.03Å; E63-I75 CarbonylContact C-O 3.54Å; E63-I75 WeakPolarHBondContact CA-O 3.22Å; E63-Q76 PolarHBondContact OE1-NE2 3.24Å; E63-M77 WeakPolarHBondContact O-CE 3.42Å
64	L	97.4	Very high	96.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.2	161.2	177.1	61.6	0	0	0	109.4	L55 F57 I66 I75 M77 I80 L99 I126	L55-L64 HydrophobicContact CB-CD1 4.24Å; L55-L64 HydrophobicContact CD2-CD1 4.12Å; F57-L64 HydrophobicContact CD1-CD1 3.95Å; F57-L64 HydrophobicContact CD2-CD1 4.42Å; F57-L64 HydrophobicContact CE1-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CD1 4.1Å; F57-L64 HydrophobicContact CG-CD1 4.32Å; F57-L64 HydrophobicContact CZ-CD1 3.66Å; L64-I66 HydrophobicContact CD2-CD1 4.44Å; L64-I66 HydrophobicContact CD2-CG1 4.36Å; L64-I66 HydrophobicContact CG-CG1 4.23Å; L64-I75 PolarHBondContact N-O 3.06Å; L64-I75 PolarHBondContact O-N 2.79Å; L64-M77 HydrophobicContact CB-CG 4.47Å; L64-I80 HydrophobicContact CB-CD1 4.35Å; L64-I80 HydrophobicContact CD2-CD1 3.76Å; L64-L99 HydrophobicContact CD2-CD1 3.58Å; L64-I126 HydrophobicContact CD2-CD1 4.05Å
65	W	97.6	Very high	96.2	Very high	60 Å²	60	64.3 Å²	64.3	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125	174.2	-68.4	20.7	0	0	0	109.9	L55 S56 K58 E63 T72 E73 K74	L55-W65 WeakPolarHBondContact CA-O 3.36Å; S56-W65 PolarHBondContact N-O 3.49Å; S56-W65 PolarHBondContact O-N 3.01Å; K58-W65 HydrophobicContact CG-CD2 4.31Å; K58-W65 HydrophobicContact CG-CG 4.45Å; K58-W65 HydrophobicContact CG-CZ2 4.31Å; E63-W65 PolarHBondContact OE2-NE1 3.03Å; W65-T72 HydrophobicContact CB-CG2 4.15Å; W65-T72 HydrophobicContact CD2-CG2 4.23Å; W65-T72 HydrophobicContact CE3-CG2 3.88Å; W65-T72 HydrophobicContact CG-CG2 4.38Å; W65-E73 CarbonylContact C-O 3.59Å; W65-E73 WeakPolarHBondContact CA-O 3.48Å; W65-K74 HydrophobicContact CD2-CD 4.33Å; W65-K74 HydrophobicContact CD2-CG 4.01Å; W65-K74 HydrophobicContact CG-CG 4.09Å; W65-K74 HydrophobicContact CH2-CD 4.45Å; W65-K74 HydrophobicContact CZ2-CD 3.73Å; W65-K74 HydrophobicContact CZ2-CG 4.32Å
66	I	97	Very high	96.2	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.6	175.4	-49.3	-174.1	0	0	0	108.2	T53 L55 L64 E73 I75 L99 Y109	T53-I66 HydrophobicContact CG2-CG2 3.37Å; L55-I66 HydrophobicContact CD2-CB 4.33Å; L55-I66 HydrophobicContact CD2-CD1 4.44Å; L55-I66 HydrophobicContact CD2-CG1 3.8Å; L55-I66 HydrophobicContact CD2-CG2 4.2Å; L64-I66 HydrophobicContact CD2-CD1 4.44Å; L64-I66 HydrophobicContact CD2-CG1 4.36Å; L64-I66 HydrophobicContact CG-CG1 4.23Å; I66-E73 PolarHBondContact N-O 3.27Å; I66-E73 PolarHBondContact O-N 2.82Å; I66-I75 HydrophobicContact CD1-CD1 3.6Å; I66-I75 HydrophobicContact CG1-CD1 4.2Å; I66-L99 HydrophobicContact CD1-CD1 4.06Å; I66-Y109 HydrophobicContact CD1-CD1 4.05Å; I66-Y109 HydrophobicContact CD1-CD2 4.24Å; I66-Y109 HydrophobicContact CD1-CE1 4.13Å; I66-Y109 HydrophobicContact CD1-CE2 4.27Å; I66-Y109 HydrophobicContact CD1-CG 4.14Å; I66-Y109 HydrophobicContact CG2-CE1 3.94Å; I66-Y109 HydrophobicContact CG2-CE2 4.31Å; I66-Y109 WeakPolarHBondContact CG2-OH 3.46Å
67	S	97.3	Very high	96.1	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.4	-175.8	-54.6	0	0	0	0	112.1	T53 R54 R71 T72	T53-S67 CarbonylContact C-O 3.59Å; T53-S67 VanDerWaalsContact CA-O 3.31Å; T53-S67 WeakPolarHBondContact CA-O 3.46Å; R54-S67 PolarHBondContact N-O 2.83Å; R54-S67 PolarHBondContact O-N 3.09Å; S67-R71 CarbonylContact C-O 3.57Å; S67-R71 WeakPolarHBondContact CA-O 3.33Å; S67-T72 WeakPolarHBondContact CB-OG1 3.49Å; S67-T72 WeakPolarHBondContact OG-CG2 3.48Å; S67-T72 PolarHBondContact OG-OG1 2.97Å
68	T	95.9	Very high	96	Very high	3 Å²	3	72.1 Å²	72.1	2%	0.018	35%	0.345	C	S	.	.			trans	-101.5	-170.9	161.9	72.1	0	0	0	0	109.5	R54 E70 R71	R54-T68 PolarHBondContact NH1-O 3.28Å; R54-T68 PolarHBondContact NH2-O 2.96Å; T68-E70 VanDerWaalsContact C-N 3.28Å; T68-E70 VanDerWaalsContact CB-OE2 3.32Å; T68-E70 WeakPolarHBondContact CB-OE2 3.34Å; T68-E70 PolarHBondContact OG1-N 2.82Å; T68-E70 PolarHBondContact OG1-OE2 2.93Å; T68-R71 PolarHBondContact N-O 3.22Å; T68-R71 PolarHBondContact OG1-N 3.04Å
69	K	93.8	Very high	95.9	Very high	192 Å²	192	76 Å²	76	84%	0.835	36%	0.357	S	S	*	.	S	Bend	trans	-66.8	-34.3	171.7	-175	177.1	-180	179.2	0	111.5
70	E	94.7	Very high	96	Very high	123 Å²	123	71.5 Å²	71.5	58%	0.575	33%	0.333	S	S	*	.	S	Bend	trans	-95	-29.5	-169.9	-49.4	76.7	-165.8	0	0	113.4	T68	T68-E70 VanDerWaalsContact C-N 3.28Å; T68-E70 VanDerWaalsContact CB-OE2 3.32Å; T68-E70 WeakPolarHBondContact CB-OE2 3.34Å; T68-E70 PolarHBondContact OG1-N 2.82Å; T68-E70 PolarHBondContact OG1-OE2 2.93Å
71	R	96	Very high	96	Very high	127 Å²	127	72.8 Å²	72.8	48%	0.479	33%	0.328	S	S	.	.			trans	-148.4	158.8	-174.5	70	-177.9	-170.2	-149.9	6	112.7	S67 T68	S67-R71 CarbonylContact C-O 3.57Å; S67-R71 WeakPolarHBondContact CA-O 3.33Å; T68-R71 PolarHBondContact N-O 3.22Å; T68-R71 PolarHBondContact OG1-N 3.04Å
72	T	97	Very high	96	Very high	64 Å²	64	70.9 Å²	70.9	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.4	167	-64.1	0	0	0	0	109.2	W65 S67 K74	W65-T72 HydrophobicContact CB-CG2 4.15Å; W65-T72 HydrophobicContact CD2-CG2 4.23Å; W65-T72 HydrophobicContact CE3-CG2 3.88Å; W65-T72 HydrophobicContact CG-CG2 4.38Å; S67-T72 WeakPolarHBondContact CB-OG1 3.49Å; S67-T72 WeakPolarHBondContact OG-CG2 3.48Å; S67-T72 PolarHBondContact OG-OG1 2.97Å; T72-K74 HydrophobicContact CG2-CG 4.42Å
73	E	96.2	Very high	96.1	Very high	72 Å²	72	67 Å²	67	34%	0.336	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127	172.4	-169.8	173.1	171.3	0	0	108.5	W65 I66 I75	W65-E73 CarbonylContact C-O 3.59Å; W65-E73 WeakPolarHBondContact CA-O 3.48Å; I66-E73 PolarHBondContact N-O 3.27Å; I66-E73 PolarHBondContact O-N 2.82Å; E73-I75 HydrophobicContact CG-CD1 4.36Å; E73-I75 HydrophobicContact CG-CG1 4.07Å
74	K	97.4	Very high	95.9	Very high	119 Å²	119	67.4 Å²	67.4	52%	0.517	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.7	177.8	-55.4	-177.3	-176.9	-178.1	0	108.3	W65 T72	W65-K74 HydrophobicContact CD2-CD 4.33Å; W65-K74 HydrophobicContact CD2-CG 4.01Å; W65-K74 HydrophobicContact CG-CG 4.09Å; W65-K74 HydrophobicContact CH2-CD 4.45Å; W65-K74 HydrophobicContact CZ2-CD 3.73Å; W65-K74 HydrophobicContact CZ2-CG 4.32Å; T72-K74 HydrophobicContact CG2-CG 4.42Å
75	I	96.8	Very high	95.9	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118	-175.5	-56.7	178.8	0	0	0	107.4	E63 L64 I66 E73 M77 R79 I80 L101	E63-I75 CarbonylContact C-O 3.54Å; E63-I75 WeakPolarHBondContact CA-O 3.22Å; L64-I75 PolarHBondContact N-O 3.06Å; L64-I75 PolarHBondContact O-N 2.79Å; I66-I75 HydrophobicContact CD1-CD1 3.6Å; I66-I75 HydrophobicContact CG1-CD1 4.2Å; E73-I75 HydrophobicContact CG-CD1 4.36Å; E73-I75 HydrophobicContact CG-CG1 4.07Å; I75-M77 PolarHBondContact O-N 2.91Å; I75-R79 HydrophobicContact CG2-CB 4.42Å; I75-I80 HydrophobicContact CG2-CD1 4.13Å; I75-I80 HydrophobicContact CG2-CG1 3.84Å; I75-L101 HydrophobicContact CD1-CD1 3.86Å; I75-L101 HydrophobicContact CD1-CD2 3.94Å; I75-L101 HydrophobicContact CG2-CD2 3.97Å
76	Q	96.7	Very high	95.7	Very high	72 Å²	72	68 Å²	68	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	126.5	167.8	-71.8	-74.9	-36.5	0	0	108.9	E63 N78 R79	E63-Q76 PolarHBondContact OE1-NE2 3.24Å; Q76-N78 WeakPolarHBondContact CB-OD1 3.33Å; Q76-N78 PolarHBondContact O-N 3.28Å; Q76-R79 HydrophobicContact CB-CG 4.03Å; Q76-R79 VanDerWaalsContact O-CB 3.3Å; Q76-R79 WeakPolarHBondContact O-CB 3.44Å; Q76-R79 PolarHBondContact O-N 2.74Å
77	M	95.6	Very high	95.6	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.039	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.5	-35.1	-171.4	-71.4	-174	-168	0	0	112	F57 L59 D62 E63 L64 I75 R79 I80 T125	F57-M77 HydrophobicContact CB-CE 4.44Å; F57-M77 HydrophobicContact CD1-CE 3.84Å; L59-M77 HydrophobicContact CD2-CE 4.01Å; D62-M77 WeakPolarHBondContact O-CB 3.46Å; D62-M77 WeakPolarHBondContact O-CG 3.4Å; D62-M77 PolarHBondContact O-N 3.33Å; E63-M77 WeakPolarHBondContact O-CE 3.42Å; L64-M77 HydrophobicContact CB-CG 4.47Å; I75-M77 PolarHBondContact O-N 2.91Å; M77-R79 PolarHBondContact O-N 3.09Å; M77-I80 WeakPolarHBondContact O-CB 3.47Å; M77-I80 PolarHBondContact O-N 2.88Å; M77-T125 HydrophobicContact CE-CG2 4Å; M77-T125 HydrophobicContact SD-CG2 3.92Å
78	N	94.1	Very high	95.5	Very high	135 Å²	135	70.9 Å²	70.9	72%	0.722	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-60.5	-15	174.6	69.3	5.3	0	0	0	114.8	Q76 I80	Q76-N78 WeakPolarHBondContact CB-OD1 3.33Å; Q76-N78 PolarHBondContact O-N 3.28Å; N78-I80 VanDerWaalsContact C-N 3.34Å
79	R	94.4	Very high	95.2	Very high	164 Å²	164	77.1 Å²	77.1	62%	0.619	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-82.7	-13.9	174.7	-60	-171.4	67.6	-173.6	-0.1	112.6	I75 Q76 M77 R81	I75-R79 HydrophobicContact CG2-CB 4.42Å; Q76-R79 HydrophobicContact CB-CG 4.03Å; Q76-R79 VanDerWaalsContact O-CB 3.3Å; Q76-R79 WeakPolarHBondContact O-CB 3.44Å; Q76-R79 PolarHBondContact O-N 2.74Å; M77-R79 PolarHBondContact O-N 3.09Å; R79-R81 PolarHBondContact O-N 2.79Å
80	I	96.5	Very high	95.2	Very high	6 Å²	6	70.7 Å²	70.7	3%	0.031	36%	0.356	C	S	.	.			trans	-90.6	105.2	179.5	-48.1	176	0	0	0	108	L64 I75 M77 N78 V83 L99 L101 I126	L64-I80 HydrophobicContact CB-CD1 4.35Å; L64-I80 HydrophobicContact CD2-CD1 3.76Å; I75-I80 HydrophobicContact CG2-CD1 4.13Å; I75-I80 HydrophobicContact CG2-CG1 3.84Å; M77-I80 WeakPolarHBondContact O-CB 3.47Å; M77-I80 PolarHBondContact O-N 2.88Å; N78-I80 VanDerWaalsContact C-N 3.34Å; I80-V83 HydrophobicContact CG2-CG2 4.14Å; I80-L99 HydrophobicContact CG2-CB 4.05Å; I80-L99 HydrophobicContact CG2-CD2 4.48Å; I80-L101 HydrophobicContact CG1-CD2 3.83Å; I80-I126 HydrophobicContact CB-CG2 3.58Å; I80-I126 HydrophobicContact CD1-CD1 4.02Å; I80-I126 HydrophobicContact CD1-CG1 4.27Å; I80-I126 HydrophobicContact CD1-CG2 3.81Å; I80-I126 HydrophobicContact CG1-CG2 4.24Å; I80-I126 HydrophobicContact CG2-CG2 3.65Å
81	R	94.3	Very high	95.2	Very high	158 Å²	158	68.8 Å²	68.8	60%	0.596	35%	0.347	S	S	*	.			trans	-78.3	-30.5	-170.6	-61.2	-179.2	179.1	-159.1	-3.1	113.9	R79 Q100	R79-R81 PolarHBondContact O-N 2.79Å; R81-Q100 HydrophobicContact CB-CG 4.31Å; R81-Q100 PolarHBondContact N-O 3.27Å
82	S	95.4	Very high	95.2	Very high	44 Å²	44	66.3 Å²	66.3	31%	0.308	34%	0.341	S	S	.	.			trans	-159.9	157.1	178.8	64.3	0	0	0	0	110.3	Q100	S82-Q100 WeakPolarHBondContact O-CB 3.23Å; S82-Q100 PolarHBondContact O-N 3.41Å; S82-Q100 VanDerWaalsContact OG-CB 3.23Å; S82-Q100 WeakPolarHBondContact OG-CB 3.32Å
83	V	96.2	Very high	95.2	Very high	16 Å²	16	65.4 Å²	65.4	10%	0.097	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.7	175.8	-179.7	0	0	0	0	108.2	I80 M97 G98 L99 K123 I126 L127	I80-V83 HydrophobicContact CG2-CG2 4.14Å; V83-M97 HydrophobicContact CG1-CG 3.85Å; V83-M97 HydrophobicContact CG1-SD 4.02Å; V83-G98 WeakPolarHBondContact CA-O 3.44Å; V83-L99 HydrophobicContact CB-CD2 4.47Å; V83-L99 HydrophobicContact CG1-CD2 4.01Å; V83-L99 HydrophobicContact CG2-CD2 3.81Å; V83-K123 HydrophobicContact CB-CG 4.03Å; V83-K123 HydrophobicContact CG1-CG 3.73Å; V83-I126 HydrophobicContact CG2-CB 4.31Å; V83-I126 HydrophobicContact CG2-CD1 4.18Å; V83-I126 HydrophobicContact CG2-CG2 3.91Å; V83-L127 HydrophobicContact CB-CD1 4.41Å; V83-L127 HydrophobicContact CG2-CD1 4.41Å; V83-L127 HydrophobicContact CG2-CD2 4.45Å; V83-L127 HydrophobicContact CG2-CG 4.38Å
84	V	94.7	Very high	95.3	Very high	38 Å²	38	62.1 Å²	62.1	23%	0.23	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.5	171.2	-62.5	0	0	0	0	109.1	M97 G98 W110	V84-M97 CarbonylContact O-C 3.6Å; V84-M97 WeakPolarHBondContact O-CA 3.34Å; V84-M97 WeakPolarHBondContact O-CG 3.42Å; V84-G98 PolarHBondContact N-O 3.34Å; V84-G98 PolarHBondContact O-N 3.07Å; V84-W110 HydrophobicContact CG2-CH2 3.75Å; V84-W110 HydrophobicContact CG2-CZ3 3.89Å
85	A	95.9	Very high	95.3	Very high	22 Å²	22	59.4 Å²	59.4	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.2	172.8	0	0	0	0	0	110.3	Y95 I96 M97 V119	A85-Y95 HydrophobicContact CB-CD1 3.92Å; A85-I96 CarbonylContact C-O 3.54Å; A85-I96 VanDerWaalsContact CA-O 3.22Å; A85-I96 WeakPolarHBondContact CA-O 3.37Å; A85-M97 HydrophobicContact CB-CB 4.45Å; A85-M97 HydrophobicContact CB-CG 4.27Å; A85-V119 HydrophobicContact CB-CG1 3.67Å
86	E	93.9	Very high	95.3	Very high	50 Å²	50	60 Å²	60	23%	0.234	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.4	174.4	-70.2	-169.3	177.6	0	0	110.1	L7 Y95 I96	L7-E86 VanDerWaalsContact CB-OE2 3.22Å; L7-E86 WeakPolarHBondContact CB-OE2 3.48Å; L7-E86 HydrophobicContact CD1-CB 4.34Å; L7-E86 HydrophobicContact CD1-CG 3.64Å; L7-E86 WeakPolarHBondContact CD1-OE1 3.5Å; L7-E86 WeakPolarHBondContact CD1-OE2 3.47Å; E86-Y95 CarbonylContact O-C 3.58Å; E86-Y95 VanDerWaalsContact O-CA 3.25Å; E86-Y95 WeakPolarHBondContact O-CA 3.34Å; E86-Y95 WeakPolarHBondContact O-CB 3.36Å; E86-Y95 WeakPolarHBondContact O-CD1 3.33Å; E86-I96 PolarHBondContact N-O 2.89Å; E86-I96 PolarHBondContact O-N 3.18Å
87	P	95.3	Very high	95.3	Very high	59 Å²	59	56.5 Å²	56.5	38%	0.383	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	149.9	176.1	28.6	-34	0	0	0	110.3	Y95	P87-Y95 HydrophobicContact CB-CD1 4.46Å; P87-Y95 HydrophobicContact CB-CE1 4.06Å; P87-Y95 HydrophobicContact CB-CE2 4.2Å; P87-Y95 HydrophobicContact CG-CE1 4.4Å
88	I	95	Very high	95.3	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.4	174	-62.5	168.2	0	0	0	108.2	L18 G90 H91 E92 Y94 I96 W113	L18-I88 HydrophobicContact CD1-CG2 4.17Å; L18-I88 HydrophobicContact CD2-CD1 3.78Å; L18-I88 HydrophobicContact CD2-CG1 4.2Å; L18-I88 HydrophobicContact CD2-CG2 4.2Å; I88-G90 PolarHBondContact O-N 3.21Å; I88-H91 HydrophobicContact CB-CB 4.14Å; I88-H91 HydrophobicContact CG2-CB 4Å; I88-H91 CarbonylContact O-C 3.55Å; I88-H91 WeakPolarHBondContact O-CA 3.31Å; I88-H91 PolarHBondContact O-N 2.84Å; I88-E92 PolarHBondContact O-N 3.12Å; I88-Y94 PolarHBondContact N-O 3.16Å; I88-I96 HydrophobicContact CD1-CG1 4.22Å; I88-I96 HydrophobicContact CG1-CG1 3.68Å; I88-W113 HydrophobicContact CD1-CD2 3.96Å; I88-W113 HydrophobicContact CD1-CE3 3.58Å; I88-W113 HydrophobicContact CD1-CH2 4.44Å; I88-W113 HydrophobicContact CD1-CZ3 3.85Å; I88-W113 HydrophobicContact CG2-CH2 4.3Å; I88-W113 HydrophobicContact CG2-CZ3 4.24Å
89	D	90.5	Very high	95.3	Very high	134 Å²	134	49.7 Å²	49.7	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	125.8	177.7	-72.7	-14.9	0	0	0	110.6	H91	D89-H91 PolarHBondContact O-N 3.5Å
90	G	92.7	Very high	95.4	Very high	58 Å²	58	42.6 Å²	42.6	60%	0.598	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-3.2	-176.8	0	0	0	0	0	115	I88 E92	I88-G90 PolarHBondContact O-N 3.21Å; G90-E92 PolarHBondContact N-OE1 3.03Å
91	H	95.3	Very high	95.3	Very high	82 Å²	82	44.3 Å²	44.3	38%	0.38	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	55.2	176.4	-64.1	-72.6	0	0	0	109.7	I88 D89 D93 Y94 W113	I88-H91 HydrophobicContact CB-CB 4.14Å; I88-H91 HydrophobicContact CG2-CB 4Å; I88-H91 CarbonylContact O-C 3.55Å; I88-H91 WeakPolarHBondContact O-CA 3.31Å; I88-H91 PolarHBondContact O-N 2.84Å; D89-H91 PolarHBondContact O-N 3.5Å; H91-D93 WeakPolarHBondContact CA-OD1 3.36Å; H91-D93 PolarHBondContact O-N 2.84Å; H91-D93 VanDerWaalsContact O-N 3.08Å; H91-Y94 HydrophobicContact CB-CD2 4.44Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-O 3.06Å; H91-W113 HydrophobicContact CB-CZ3 3.78Å; H91-W113 AromaticContact CD2-CH2 3.66Å; H91-W113 AromaticContact CD2-CZ3 3.74Å; H91-W113 AromaticContact CG-CZ3 3.67Å
92	E	95.3	Very high	95.1	Very high	76 Å²	76	37.7 Å²	37.7	36%	0.355	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-6.5	-173.5	-57.4	79.8	-169.9	0	0	113.5	K31 I88 G90 Y94	K31-E92 HydrophobicContact CD-CB 4.01Å; I88-E92 PolarHBondContact O-N 3.12Å; G90-E92 PolarHBondContact N-OE1 3.03Å; E92-Y94 PolarHBondContact O-N 2.82Å
93	D	97.1	Very high	94.8	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-4	164.9	59.9	-30.1	0	0	0	113.1	G29 K31 H91 A116	G29-D93 WeakPolarHBondContact CA-O 3.42Å; K31-D93 HydrophobicContact CB-CB 4.24Å; H91-D93 WeakPolarHBondContact CA-OD1 3.36Å; H91-D93 PolarHBondContact O-N 2.84Å; H91-D93 VanDerWaalsContact O-N 3.08Å; D93-A116 VanDerWaalsContact O-CB 3.26Å; D93-A116 WeakPolarHBondContact O-CB 3.34Å; D93-A116 PolarHBondContact O-N 2.96Å
94	Y	97.9	Very high	94.4	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.4	176.7	-63	-82.8	0	0	0	113.2	K22 V26 M27 G29 I88 H91 E92 W113 V114 P115	K22-Y94 HydrophobicContact CD-CD2 4.03Å; K22-Y94 HydrophobicContact CD-CE1 4.28Å; K22-Y94 HydrophobicContact CD-CE2 3.42Å; K22-Y94 VanDerWaalsContact CD-CE2 3.42Å; K22-Y94 PolarHBondContact NZ-OH 3.38Å; V26-Y94 HydrophobicContact CG1-CE1 4.01Å; V26-Y94 HydrophobicContact CG2-CD1 4.48Å; V26-Y94 HydrophobicContact CG2-CE1 3.83Å; M27-Y94 WeakPolarHBondContact O-CE1 3.47Å; M27-Y94 PolarHBondContact O-OH 2.75Å; M27-Y94 VanDerWaalsContact O-OH 3.09Å; G29-Y94 PolarHBondContact N-OH 2.84Å; I88-Y94 PolarHBondContact N-O 3.16Å; H91-Y94 HydrophobicContact CB-CD2 4.44Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-O 3.06Å; E92-Y94 PolarHBondContact O-N 2.82Å; Y94-W113 HydrophobicContact CD1-CB 4.31Å; Y94-W113 WeakPolarHBondContact CD1-O 3.32Å; Y94-W113 HydrophobicContact CD2-CE3 4.24Å; Y94-W113 HydrophobicContact CG-CE3 4.03Å; Y94-V114 CarbonylContact C-O 3.07Å; Y94-V114 VanDerWaalsContact CA-O 3.29Å; Y94-V114 WeakPolarHBondContact CA-O 2.95Å; Y94-P115 HydrophobicContact CE1-CG 4.38Å
95	Y	97.3	Very high	93.6	Very high	62 Å²	62	48.7 Å²	48.7	24%	0.243	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.1	-177.5	-78.6	-114.7	0	0	0	111.9	A85 E86 P87 W113 V114 A116 V119	A85-Y95 HydrophobicContact CB-CD1 3.92Å; E86-Y95 CarbonylContact O-C 3.58Å; E86-Y95 VanDerWaalsContact O-CA 3.25Å; E86-Y95 WeakPolarHBondContact O-CA 3.34Å; E86-Y95 WeakPolarHBondContact O-CB 3.36Å; E86-Y95 WeakPolarHBondContact O-CD1 3.33Å; P87-Y95 HydrophobicContact CB-CD1 4.46Å; P87-Y95 HydrophobicContact CB-CE1 4.06Å; P87-Y95 HydrophobicContact CB-CE2 4.2Å; P87-Y95 HydrophobicContact CG-CE1 4.4Å; Y95-W113 PolarHBondContact O-N 2.87Å; Y95-V114 PolarHBondContact N-O 2.9Å; Y95-V114 PolarHBondContact O-N 3.5Å; Y95-A116 HydrophobicContact CD2-CB 3.84Å; Y95-A116 HydrophobicContact CE2-CB 3.62Å; Y95-V119 HydrophobicContact CD1-CG1 4.46Å; Y95-V119 HydrophobicContact CD1-CG2 4.29Å; Y95-V119 HydrophobicContact CD2-CG2 3.95Å; Y95-V119 HydrophobicContact CG-CG2 3.78Å
96	I	96.4	Very high	93	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.2	155.7	-48.4	-179.7	0	0	0	106.8	H14 L18 A85 E86 I88 W110 Y112	H14-I96 HydrophobicContact CB-CD1 4.24Å; L18-I96 HydrophobicContact CD1-CD1 4Å; A85-I96 CarbonylContact C-O 3.54Å; A85-I96 VanDerWaalsContact CA-O 3.22Å; A85-I96 WeakPolarHBondContact CA-O 3.37Å; E86-I96 PolarHBondContact N-O 2.89Å; E86-I96 PolarHBondContact O-N 3.18Å; I88-I96 HydrophobicContact CD1-CG1 4.22Å; I88-I96 HydrophobicContact CG1-CG1 3.68Å; I96-W110 HydrophobicContact CG2-CE3 3.81Å; I96-W110 HydrophobicContact CG2-CZ3 4.07Å; I96-Y112 HydrophobicContact CD1-CD1 4.36Å; I96-Y112 HydrophobicContact CD1-CE1 4.35Å; I96-Y112 HydrophobicContact CG1-CD1 4.15Å; I96-Y112 HydrophobicContact CG2-CD1 3.96Å; I96-Y112 HydrophobicContact CG2-CE1 3.91Å
97	M	96.7	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	-178.8	-170.7	175.1	67.3	0	0	110.9	L55 V83 V84 A85 L99 W110 L111 V114 I122	L55-M97 HydrophobicContact CD1-CE 4.13Å; V83-M97 HydrophobicContact CG1-CG 3.85Å; V83-M97 HydrophobicContact CG1-SD 4.02Å; V84-M97 CarbonylContact O-C 3.6Å; V84-M97 WeakPolarHBondContact O-CA 3.34Å; V84-M97 WeakPolarHBondContact O-CG 3.42Å; A85-M97 HydrophobicContact CB-CB 4.45Å; A85-M97 HydrophobicContact CB-CG 4.27Å; M97-L99 HydrophobicContact CE-CD2 4.22Å; M97-W110 WeakPolarHBondContact O-CA 3.37Å; M97-L111 HydrophobicContact CB-CB 4.44Å; M97-L111 HydrophobicContact CE-CB 4.5Å; M97-L111 HydrophobicContact CE-CD1 3.44Å; M97-L111 VanDerWaalsContact CE-CD1 3.44Å; M97-L111 PolarHBondContact N-O 2.91Å; M97-L111 PolarHBondContact O-N 2.9Å; M97-V114 HydrophobicContact CB-CB 4.5Å; M97-V114 HydrophobicContact CB-CG2 3.76Å; M97-V114 HydrophobicContact CE-CG1 4.28Å; M97-V114 HydrophobicContact CE-CG2 4.1Å; M97-V114 HydrophobicContact SD-CG1 4.37Å; M97-I122 HydrophobicContact CE-CD1 4.07Å; M97-I122 HydrophobicContact CE-CG2 3.95Å; M97-I122 HydrophobicContact SD-CB 4.44Å; M97-I122 HydrophobicContact SD-CD1 4.24Å; M97-I122 HydrophobicContact SD-CG2 3.82Å
98	G	95.7	Very high	92.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.9	178.1	0	0	0	0	0	111.5	V83 V84 Y109 W110	V83-G98 WeakPolarHBondContact CA-O 3.44Å; V84-G98 PolarHBondContact N-O 3.34Å; V84-G98 PolarHBondContact O-N 3.07Å; G98-Y109 WeakPolarHBondContact CA-O 3.3Å; G98-W110 VanDerWaalsContact CA-CE3 3.47Å
99	L	96	Very high	92.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.6	174.5	-51.4	177.4	0	0	0	109.5	L64 I66 I80 V83 M97 L101 R108 Y109 L111 I126	L64-L99 HydrophobicContact CD2-CD1 3.58Å; I66-L99 HydrophobicContact CD1-CD1 4.06Å; I80-L99 HydrophobicContact CG2-CB 4.05Å; I80-L99 HydrophobicContact CG2-CD2 4.48Å; V83-L99 HydrophobicContact CB-CD2 4.47Å; V83-L99 HydrophobicContact CG1-CD2 4.01Å; V83-L99 HydrophobicContact CG2-CD2 3.81Å; M97-L99 HydrophobicContact CE-CD2 4.22Å; L99-L101 HydrophobicContact CB-CD2 4.43Å; L99-L101 PolarHBondContact O-N 2.86Å; L99-R108 CarbonylContact O-C 3.54Å; L99-R108 WeakPolarHBondContact O-CA 3.34Å; L99-Y109 PolarHBondContact N-O 2.92Å; L99-Y109 PolarHBondContact O-N 2.86Å; L99-L111 HydrophobicContact CD1-CD1 4.03Å; L99-L111 HydrophobicContact CG-CD1 4.35Å; L99-I126 HydrophobicContact CD2-CD1 3.95Å
100	Q	96	Very high	93	Very high	14 Å²	14	46 Å²	46	7%	0.065	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	95.9	-177.1	-174.4	62	64.5	0	0	111.1	R81 S82 G102 T104 S107 R108	R81-Q100 HydrophobicContact CB-CG 4.31Å; R81-Q100 PolarHBondContact N-O 3.27Å; S82-Q100 WeakPolarHBondContact O-CB 3.23Å; S82-Q100 PolarHBondContact O-N 3.41Å; S82-Q100 VanDerWaalsContact OG-CB 3.23Å; S82-Q100 WeakPolarHBondContact OG-CB 3.32Å; Q100-G102 PolarHBondContact NE2-O 2.84Å; Q100-T104 PolarHBondContact NE2-O 2.79Å; Q100-S107 PolarHBondContact NE2-OG 3.37Å; Q100-R108 HydrophobicContact CB-CG 4.48Å
101	L	94	Very high	93.1	Very high	42 Å²	42	43.3 Å²	43.3	22%	0.22	24%	0.237	C	C	.	.			trans	-86.6	-23.5	-175.3	-57	-178.1	0	0	0	114.2	I75 I80 L99	I75-L101 HydrophobicContact CD1-CD1 3.86Å; I75-L101 HydrophobicContact CD1-CD2 3.94Å; I75-L101 HydrophobicContact CG2-CD2 3.97Å; I80-L101 HydrophobicContact CG1-CD2 3.83Å; L99-L101 HydrophobicContact CB-CD2 4.43Å; L99-L101 PolarHBondContact O-N 2.86Å
102	G	90.8	Very high	93.2	Very high	20 Å²	20	39.5 Å²	39.5	21%	0.206	22%	0.219	C	C	.	.	S	Bend	trans	-126.6	-165.9	179.5	0	0	0	0	0	112.9	Q100 S107	Q100-G102 PolarHBondContact NE2-O 2.84Å; G102-S107 VanDerWaalsContact C-OG 3.28Å; G102-S107 WeakPolarHBondContact CA-OG 3.15Å; G102-S107 PolarHBondContact N-OG 3.16Å
103	T	87.8	Confident	93.3	Very high	109 Å²	109	36.1 Å²	36.1	67%	0.669	20%	0.203	S	C	*	.	S	Bend	trans	-78.8	-22.3	-178.4	48.7	0	0	0	0	113.8
104	T	87.7	Confident	93.4	Very high	79 Å²	79	34 Å²	34	49%	0.485	19%	0.192	S	C	.	.	S	Bend	trans	-113.2	152.2	-171.3	66.4	0	0	0	0	112	Q100 A106 S107	Q100-T104 PolarHBondContact NE2-O 2.79Å; T104-A106 PolarHBondContact O-N 3.27Å; T104-A106 VanDerWaalsContact O-N 3.14Å; T104-S107 WeakPolarHBondContact O-CB 3.09Å; T104-S107 PolarHBondContact O-N 3.19Å; T104-S107 PolarHBondContact O-OG 2.83Å
105	E	79.1	Confident	93.4	Very high	140 Å²	140	33.8 Å²	33.8	65%	0.654	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-58.7	-29.9	178.4	-62.4	-166.6	143.5	0	0	113.4	S107 R108	E105-S107 PolarHBondContact O-N 3.48Å; E105-S107 VanDerWaalsContact O-N 3.16Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 WeakPolarHBondContact O-CG 3.33Å; E105-R108 PolarHBondContact O-N 2.87Å; E105-R108 IonicContact OE1-NH2 3.49Å; E105-R108 PolarHBondContact OE1-NH2 3.41Å
106	A	82.7	Confident	93.4	Very high	90 Å²	90	31.6 Å²	31.6	74%	0.744	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-62.6	-21.1	175.9	0	0	0	0	0	113.5	T104 R108	T104-A106 PolarHBondContact O-N 3.27Å; T104-A106 VanDerWaalsContact O-N 3.14Å; A106-R108 VanDerWaalsContact C-N 3.28Å
107	S	90	Very high	93.4	Very high	36 Å²	36	31.1 Å²	31.1	25%	0.252	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-85.7	6	175.4	67.6	0	0	0	0	113.8	Q100 G102 T104 E105 Y109	Q100-S107 PolarHBondContact NE2-OG 3.37Å; G102-S107 VanDerWaalsContact C-OG 3.28Å; G102-S107 WeakPolarHBondContact CA-OG 3.15Å; G102-S107 PolarHBondContact N-OG 3.16Å; T104-S107 WeakPolarHBondContact O-CB 3.09Å; T104-S107 PolarHBondContact O-N 3.19Å; T104-S107 PolarHBondContact O-OG 2.83Å; E105-S107 PolarHBondContact O-N 3.48Å; E105-S107 VanDerWaalsContact O-N 3.16Å; S107-Y109 PolarHBondContact O-N 3.24Å
108	R	93.7	Very high	93.5	Very high	40 Å²	40	31.4 Å²	31.4	15%	0.151	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.4	172.2	-73.9	-175.9	-173.3	168.8	9.8	111.3	L99 Q100 E105 A106 W110	L99-R108 CarbonylContact O-C 3.54Å; L99-R108 WeakPolarHBondContact O-CA 3.34Å; Q100-R108 HydrophobicContact CB-CG 4.48Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 WeakPolarHBondContact O-CG 3.33Å; E105-R108 PolarHBondContact O-N 2.87Å; E105-R108 IonicContact OE1-NH2 3.49Å; E105-R108 PolarHBondContact OE1-NH2 3.41Å; A106-R108 VanDerWaalsContact C-N 3.28Å; R108-W110 HydrophobicContact CB-CZ2 4.24Å
109	Y	94.6	Very high	93.6	Very high	18 Å²	18	31.6 Å²	31.6	7%	0.071	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.9	164.5	-165.9	-72.7	0	0	0	108.6	N47 I66 G98 L99 S107 L111	N47-Y109 HydrophobicContact CB-CE1 4Å; N47-Y109 WeakPolarHBondContact CB-OH 3.4Å; I66-Y109 HydrophobicContact CD1-CD1 4.05Å; I66-Y109 HydrophobicContact CD1-CD2 4.24Å; I66-Y109 HydrophobicContact CD1-CE1 4.13Å; I66-Y109 HydrophobicContact CD1-CE2 4.27Å; I66-Y109 HydrophobicContact CD1-CG 4.14Å; I66-Y109 HydrophobicContact CG2-CE1 3.94Å; I66-Y109 HydrophobicContact CG2-CE2 4.31Å; I66-Y109 WeakPolarHBondContact CG2-OH 3.46Å; G98-Y109 WeakPolarHBondContact CA-O 3.3Å; L99-Y109 PolarHBondContact N-O 2.92Å; L99-Y109 PolarHBondContact O-N 2.86Å; S107-Y109 PolarHBondContact O-N 3.24Å; Y109-L111 HydrophobicContact CD1-CD2 4.37Å; Y109-L111 HydrophobicContact CD1-CG 4.02Å; Y109-L111 HydrophobicContact CE1-CD2 3.83Å; Y109-L111 HydrophobicContact CE1-CG 3.99Å
110	W	95.4	Very high	93.6	Very high	34 Å²	34	34.7 Å²	34.7	13%	0.129	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.9	178.9	-66.9	107.3	0	0	0	111.9	L7 H14 N47 K48 V84 I96 M97 G98 R108 Y112	L7-W110 HydrophobicContact CD1-CH2 4.16Å; L7-W110 HydrophobicContact CD2-CH2 3.63Å; L7-W110 HydrophobicContact CD2-CZ2 4.09Å; L7-W110 HydrophobicContact CD2-CZ3 4.42Å; L7-W110 HydrophobicContact CG-CH2 4.5Å; H14-W110 AromaticContact CE1-CD2 3.56Å; H14-W110 AromaticContact CE1-CE2 3.55Å; H14-W110 AromaticContact CE1-CE3 3.86Å; H14-W110 AromaticContact CE1-CG 3.99Å; H14-W110 AromaticContact CE1-CZ2 3.86Å; H14-W110 AromaticContact CE1-NE1 3.93Å; H14-W110 AromaticContact NE2-CZ2 3.99Å; N47-W110 CarbonylContact C-O 3.43Å; N47-W110 WeakPolarHBondContact CA-O 3.27Å; K48-W110 HydrophobicContact CB-CB 4.27Å; K48-W110 PolarHBondContact N-O 3.49Å; V84-W110 HydrophobicContact CG2-CH2 3.75Å; V84-W110 HydrophobicContact CG2-CZ3 3.89Å; I96-W110 HydrophobicContact CG2-CE3 3.81Å; I96-W110 HydrophobicContact CG2-CZ3 4.07Å; M97-W110 WeakPolarHBondContact O-CA 3.37Å; G98-W110 VanDerWaalsContact CA-CE3 3.47Å; R108-W110 HydrophobicContact CB-CZ2 4.24Å; W110-Y112 HydrophobicContact CB-CE2 3.83Å
111	L	96.8	Very high	93.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.2	171.4	-68.4	156.4	0	0	0	108.4	L46 T53 L55 M97 L99 Y109 V114	L46-L111 CarbonylContact O-C 3.5Å; L46-L111 WeakPolarHBondContact O-CA 3.16Å; T53-L111 HydrophobicContact CG2-CD2 3.84Å; L55-L111 HydrophobicContact CD1-CD1 3.89Å; L55-L111 HydrophobicContact CD2-CD1 4.07Å; L55-L111 HydrophobicContact CD2-CD2 4.35Å; L55-L111 HydrophobicContact CG-CD1 4.4Å; M97-L111 HydrophobicContact CB-CB 4.44Å; M97-L111 HydrophobicContact CE-CB 4.5Å; M97-L111 HydrophobicContact CE-CD1 3.44Å; M97-L111 VanDerWaalsContact CE-CD1 3.44Å; M97-L111 PolarHBondContact N-O 2.91Å; M97-L111 PolarHBondContact O-N 2.9Å; L99-L111 HydrophobicContact CD1-CD1 4.03Å; L99-L111 HydrophobicContact CG-CD1 4.35Å; Y109-L111 HydrophobicContact CD1-CD2 4.37Å; Y109-L111 HydrophobicContact CD1-CG 4.02Å; Y109-L111 HydrophobicContact CE1-CD2 3.83Å; Y109-L111 HydrophobicContact CE1-CG 3.99Å; L111-V114 HydrophobicContact CB-CG2 3.85Å
112	Y	96.7	Very high	93.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.7	179.7	-57.3	-99.9	0	0	0	109.1	H14 I17 L18 M45 L46 I96 W110 V114	H14-Y112 HydrophobicContact CB-CE1 4.07Å; H14-Y112 AromaticContact ND1-CE1 3.54Å; H14-Y112 AromaticContact ND1-CZ 3.55Å; H14-Y112 PolarHBondContact ND1-OH 2.76Å; I17-Y112 HydrophobicContact CB-CD1 4.23Å; I17-Y112 HydrophobicContact CB-CD2 4.3Å; I17-Y112 HydrophobicContact CB-CE1 4Å; I17-Y112 HydrophobicContact CB-CE2 4.09Å; I17-Y112 HydrophobicContact CB-CG 4.37Å; I17-Y112 HydrophobicContact CG1-CE2 4.11Å; I17-Y112 HydrophobicContact CG2-CD1 4.04Å; I17-Y112 HydrophobicContact CG2-CD2 3.6Å; I17-Y112 HydrophobicContact CG2-CE1 4.24Å; I17-Y112 HydrophobicContact CG2-CE2 3.84Å; I17-Y112 HydrophobicContact CG2-CG 3.71Å; L18-Y112 HydrophobicContact CD2-CD1 3.97Å; L18-Y112 HydrophobicContact CG-CD1 4.32Å; M45-Y112 WeakPolarHBondContact CA-O 3.3Å; M45-Y112 WeakPolarHBondContact CB-O 3.42Å; L46-Y112 PolarHBondContact N-O 2.85Å; L46-Y112 VanDerWaalsContact N-O 3.1Å; L46-Y112 PolarHBondContact O-N 2.94Å; I96-Y112 HydrophobicContact CD1-CD1 4.36Å; I96-Y112 HydrophobicContact CD1-CE1 4.35Å; I96-Y112 HydrophobicContact CG1-CD1 4.15Å; I96-Y112 HydrophobicContact CG2-CD1 3.96Å; I96-Y112 HydrophobicContact CG2-CE1 3.91Å; W110-Y112 HydrophobicContact CB-CE2 3.83Å; Y112-V114 VanDerWaalsContact C-N 3.28Å; Y112-V114 PolarHBondContact O-N 2.8Å
113	W	97.5	Very high	94.1	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.1	37.7	-178.4	-50.5	109.4	0	0	0	112.5	L18 G21 K22 P23 V26 I88 H91 Y94 Y95 P115	L18-W113 HydrophobicContact CD2-CH2 4.32Å; L18-W113 HydrophobicContact CD2-CZ2 3.78Å; G21-W113 PolarHBondContact O-NE1 3.09Å; G21-W113 VanDerWaalsContact O-NE1 3.09Å; K22-W113 HydrophobicContact CB-CD2 4.02Å; K22-W113 HydrophobicContact CB-CE3 3.98Å; K22-W113 HydrophobicContact CB-CH2 4.19Å; K22-W113 HydrophobicContact CB-CZ2 4.23Å; K22-W113 HydrophobicContact CB-CZ3 4.06Å; K22-W113 HydrophobicContact CD-CE3 4.23Å; K22-W113 HydrophobicContact CG-CD2 4.11Å; K22-W113 HydrophobicContact CG-CE3 3.97Å; K22-W113 HydrophobicContact CG-CG 4.44Å; K22-W113 HydrophobicContact CG-CZ3 4.44Å; P23-W113 VanDerWaalsContact CD-CD1 3.49Å; V26-W113 HydrophobicContact CG2-CB 4.26Å; V26-W113 WeakPolarHBondContact CG2-O 3.29Å; I88-W113 HydrophobicContact CD1-CD2 3.96Å; I88-W113 HydrophobicContact CD1-CE3 3.58Å; I88-W113 HydrophobicContact CD1-CH2 4.44Å; I88-W113 HydrophobicContact CD1-CZ3 3.85Å; I88-W113 HydrophobicContact CG2-CH2 4.3Å; I88-W113 HydrophobicContact CG2-CZ3 4.24Å; H91-W113 HydrophobicContact CB-CZ3 3.78Å; H91-W113 AromaticContact CD2-CH2 3.66Å; H91-W113 AromaticContact CD2-CZ3 3.74Å; H91-W113 AromaticContact CG-CZ3 3.67Å; Y94-W113 HydrophobicContact CD1-CB 4.31Å; Y94-W113 WeakPolarHBondContact CD1-O 3.32Å; Y94-W113 HydrophobicContact CD2-CE3 4.24Å; Y94-W113 HydrophobicContact CG-CE3 4.03Å; Y95-W113 PolarHBondContact O-N 2.87Å; W113-P115 WeakPolarHBondContact O-CD 3.37Å
114	V	97.8	Very high	94.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.7	174.1	-175.6	0	0	0	0	108.2	M45 Y94 Y95 M97 L111 Y112 A116 V119 I122	M45-V114 HydrophobicContact CG-CG2 4.42Å; M45-V114 HydrophobicContact SD-CB 4.39Å; M45-V114 HydrophobicContact SD-CG1 4.38Å; M45-V114 HydrophobicContact SD-CG2 3.89Å; Y94-V114 CarbonylContact C-O 3.07Å; Y94-V114 VanDerWaalsContact CA-O 3.29Å; Y94-V114 WeakPolarHBondContact CA-O 2.95Å; Y95-V114 PolarHBondContact N-O 2.9Å; Y95-V114 PolarHBondContact O-N 3.5Å; M97-V114 HydrophobicContact CB-CB 4.5Å; M97-V114 HydrophobicContact CB-CG2 3.76Å; M97-V114 HydrophobicContact CE-CG1 4.28Å; M97-V114 HydrophobicContact CE-CG2 4.1Å; M97-V114 HydrophobicContact SD-CG1 4.37Å; L111-V114 HydrophobicContact CB-CG2 3.85Å; Y112-V114 VanDerWaalsContact C-N 3.28Å; Y112-V114 PolarHBondContact O-N 2.8Å; V114-A116 PolarHBondContact O-N 3.45Å; V114-V119 HydrophobicContact CG1-CG2 4.1Å; V114-I122 HydrophobicContact CG1-CD1 3.96Å
115	P	98	Very high	94.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	129.4	179.6	-22.1	32	0	0	0	111.2	M27 I42 Y94 W113 Q117 F118	M27-P115 HydrophobicContact CB-CG 4Å; I42-P115 HydrophobicContact CG2-CG 4.31Å; Y94-P115 HydrophobicContact CE1-CG 4.38Å; W113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-Q117 PolarHBondContact O-N 2.8Å; P115-Q117 VanDerWaalsContact O-N 3.16Å; P115-F118 HydrophobicContact CB-CD2 3.82Å; P115-F118 HydrophobicContact CB-CE2 4.19Å; P115-F118 HydrophobicContact CG-CD2 4.04Å; P115-F118 HydrophobicContact CG-CE2 4.33Å; P115-F118 PolarHBondContact O-N 3.08Å; P115-F118 VanDerWaalsContact O-N 3.13Å
116	A	97.6	Very high	95.5	Very high	16 Å²	16	28.7 Å²	28.7	13%	0.132	16%	0.156	C	C	.	.	H	α-helix	trans	-53.7	-39.1	-173	0	0	0	0	0	112.9	D93 Y95 V114 F118 V119	D93-A116 VanDerWaalsContact O-CB 3.26Å; D93-A116 WeakPolarHBondContact O-CB 3.34Å; D93-A116 PolarHBondContact O-N 2.96Å; Y95-A116 HydrophobicContact CD2-CB 3.84Å; Y95-A116 HydrophobicContact CE2-CB 3.62Å; V114-A116 PolarHBondContact O-N 3.45Å; A116-F118 PolarHBondContact O-N 2.82Å; A116-F118 VanDerWaalsContact O-N 3.14Å; A116-V119 PolarHBondContact O-N 3.3Å
117	Q	97.5	Very high	96	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-22.1	-175.8	73.1	-82.5	20.6	0	0	114.8	V28 I30 F33 D35 P115	V28-Q117 PolarHBondContact O-NE2 3.31Å; I30-Q117 HydrophobicContact CB-CB 4.4Å; F33-Q117 HydrophobicContact CB-CB 4.44Å; F33-Q117 HydrophobicContact CD1-CB 3.79Å; F33-Q117 HydrophobicContact CD1-CG 4.42Å; F33-Q117 VanDerWaalsContact O-CA 3.22Å; F33-Q117 WeakPolarHBondContact O-CA 3.44Å; F33-Q117 WeakPolarHBondContact O-CB 3.37Å; D35-Q117 HydrophobicContact CB-CB 4.09Å; D35-Q117 HydrophobicContact CB-CG 3.95Å; D35-Q117 PolarHBondContact N-O 2.96Å; P115-Q117 PolarHBondContact O-N 2.8Å; P115-Q117 VanDerWaalsContact O-N 3.16Å
118	F	97.9	Very high	95.8	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-96.2	-13.3	-179.8	-59	-50.1	0	0	0	113.3	M27 D35 T36 P38 I42 P115 A116 D120 A121 I122	M27-F118 HydrophobicContact CE-CE2 3.68Å; M27-F118 HydrophobicContact CE-CZ 3.81Å; M27-F118 HydrophobicContact SD-CE2 4.12Å; D35-F118 HydrophobicContact CB-CD1 4.1Å; D35-F118 HydrophobicContact CB-CE1 3.86Å; T36-F118 WeakPolarHBondContact O-CD1 3.45Å; T36-F118 WeakPolarHBondContact O-CE1 3.32Å; P38-F118 HydrophobicContact CG-CE1 4.24Å; P38-F118 HydrophobicContact CG-CZ 4.19Å; I42-F118 HydrophobicContact CD1-CB 3.9Å; I42-F118 HydrophobicContact CD1-CD2 3.88Å; I42-F118 HydrophobicContact CD1-CG 3.92Å; I42-F118 HydrophobicContact CG1-CD2 4.25Å; I42-F118 HydrophobicContact CG2-CD2 4.25Å; P115-F118 HydrophobicContact CB-CD2 3.82Å; P115-F118 HydrophobicContact CB-CE2 4.19Å; P115-F118 HydrophobicContact CG-CD2 4.04Å; P115-F118 HydrophobicContact CG-CE2 4.33Å; P115-F118 PolarHBondContact O-N 3.08Å; P115-F118 VanDerWaalsContact O-N 3.13Å; A116-F118 PolarHBondContact O-N 2.82Å; A116-F118 VanDerWaalsContact O-N 3.14Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 3.28Å; F118-A121 PolarHBondContact O-N 2.88Å; F118-A121 VanDerWaalsContact O-N 3.15Å; F118-I122 HydrophobicContact CB-CD1 4.02Å; F118-I122 HydrophobicContact CB-CG1 4.35Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 3.16Å
119	V	97.2	Very high	95.9	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-44.8	-171.7	172.9	0	0	0	0	112.1	A85 Y95 V114 A116 K123	A85-V119 HydrophobicContact CB-CG1 3.67Å; Y95-V119 HydrophobicContact CD1-CG1 4.46Å; Y95-V119 HydrophobicContact CD1-CG2 4.29Å; Y95-V119 HydrophobicContact CD2-CG2 3.95Å; Y95-V119 HydrophobicContact CG-CG2 3.78Å; V114-V119 HydrophobicContact CG1-CG2 4.1Å; A116-V119 PolarHBondContact O-N 3.3Å; V119-K123 HydrophobicContact CG1-CD 4.28Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3Å
120	D	96.8	Very high	96	Very high	66 Å²	66	36.4 Å²	36.4	35%	0.353	19%	0.185	S	C	.	.	H	α-helix	trans	-69.7	-40.1	-179.7	-81.3	0	0	0	0	112.3	K34 F118 K123 K124	K34-D120 HydrophobicContact CD-CB 4.48Å; K34-D120 VanDerWaalsContact CD-OD2 3.24Å; K34-D120 WeakPolarHBondContact CD-OD2 3.47Å; K34-D120 WeakPolarHBondContact CE-OD2 3.25Å; K34-D120 IonicContact NZ-OD2 2.66Å; K34-D120 PolarHBondContact NZ-OD2 3.28Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 3.28Å; D120-K123 PolarHBondContact O-N 3.48Å; D120-K124 VanDerWaalsContact O-CB 3.3Å; D120-K124 WeakPolarHBondContact O-CB 3.2Å; D120-K124 PolarHBondContact O-N 2.95Å
121	A	96.7	Very high	96	Very high	15 Å²	15	36.5 Å²	36.5	12%	0.124	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-41.8	176.9	0	0	0	0	0	111.4	D35 L37 F118 K124 T125	D35-A121 WeakPolarHBondContact O-CB 3.2Å; L37-A121 HydrophobicContact CD2-CB 4.02Å; L37-A121 HydrophobicContact CG-CB 3.88Å; F118-A121 PolarHBondContact O-N 2.88Å; F118-A121 VanDerWaalsContact O-N 3.15Å; A121-K124 PolarHBondContact O-N 3.44Å; A121-T125 WeakPolarHBondContact O-CB 3.48Å; A121-T125 PolarHBondContact O-N 3.01Å; A121-T125 PolarHBondContact O-OG1 3.02Å; A121-T125 VanDerWaalsContact O-OG1 3.08Å
122	I	97.1	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-49.9	174.6	-65.4	167.8	0	0	0	110.6	L37 I42 F57 M97 V114 F118 T125 I126	L37-I122 HydrophobicContact CD2-CG1 3.61Å; I42-I122 HydrophobicContact CD1-CD1 3.94Å; I42-I122 HydrophobicContact CD1-CG1 4.31Å; F57-I122 HydrophobicContact CE1-CG2 4.36Å; F57-I122 HydrophobicContact CE2-CG1 4.35Å; F57-I122 HydrophobicContact CZ-CB 4.34Å; F57-I122 HydrophobicContact CZ-CG1 3.77Å; F57-I122 HydrophobicContact CZ-CG2 4.04Å; M97-I122 HydrophobicContact CE-CD1 4.07Å; M97-I122 HydrophobicContact CE-CG2 3.95Å; M97-I122 HydrophobicContact SD-CB 4.44Å; M97-I122 HydrophobicContact SD-CD1 4.24Å; M97-I122 HydrophobicContact SD-CG2 3.82Å; V114-I122 HydrophobicContact CG1-CD1 3.96Å; F118-I122 HydrophobicContact CB-CD1 4.02Å; F118-I122 HydrophobicContact CB-CG1 4.35Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 3.16Å; I122-T125 PolarHBondContact O-N 3.14Å; I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.49Å; I122-I126 WeakPolarHBondContact O-CB 3.45Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 2.68Å
123	K	96.9	Very high	95.9	Very high	59 Å²	59	40.9 Å²	40.9	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-48.8	178.2	-75.8	174.5	179.5	173.5	0	111.4	V83 V119 D120 T125 I126 L127	V83-K123 HydrophobicContact CB-CG 4.03Å; V83-K123 HydrophobicContact CG1-CG 3.73Å; V119-K123 HydrophobicContact CG1-CD 4.28Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3Å; D120-K123 PolarHBondContact O-N 3.48Å; K123-T125 PolarHBondContact O-N 2.61Å; K123-I126 PolarHBondContact O-N 3.29Å; K123-L127 WeakPolarHBondContact O-CB 3.44Å; K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.29Å
124	K	95.7	Very high	95.8	Very high	154 Å²	154	43.3 Å²	43.3	67%	0.67	22%	0.224	S	C	*	.	H	α-helix	trans	-61	-45.2	-178.9	-174.6	178.9	179.3	-177.4	0	111.2	D120 A121 N128	D120-K124 VanDerWaalsContact O-CB 3.3Å; D120-K124 WeakPolarHBondContact O-CB 3.2Å; D120-K124 PolarHBondContact O-N 2.95Å; A121-K124 PolarHBondContact O-N 3.44Å; K124-N128 WeakPolarHBondContact O-CB 3.35Å; K124-N128 PolarHBondContact O-N 2.95Å
125	T	95.1	Very high	95.7	Very high	40 Å²	40	46.4 Å²	46.4	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-41.6	-179.6	-67.9	0	0	0	0	112.6	L37 F57 L59 M77 A121 I122 K123	L37-T125 HydrophobicContact CD1-CG2 3.72Å; L37-T125 WeakPolarHBondContact CD1-OG1 3.08Å; F57-T125 HydrophobicContact CD1-CG2 4.02Å; L59-T125 HydrophobicContact CD2-CG2 3.51Å; M77-T125 HydrophobicContact CE-CG2 4Å; M77-T125 HydrophobicContact SD-CG2 3.92Å; A121-T125 WeakPolarHBondContact O-CB 3.48Å; A121-T125 PolarHBondContact O-N 3.01Å; A121-T125 PolarHBondContact O-OG1 3.02Å; A121-T125 VanDerWaalsContact O-OG1 3.08Å; I122-T125 PolarHBondContact O-N 3.14Å; K123-T125 PolarHBondContact O-N 2.61Å
126	I	94.5	Very high	95.5	Very high	9 Å²	9	50 Å²	50	5%	0.046	26%	0.259	C	S	.	.	H	α-helix	trans	-73	-36.2	-177.6	-70.5	172.6	0	0	0	112.2	F57 L64 I80 V83 L99 I122 K123	F57-I126 HydrophobicContact CE1-CD1 4.44Å; F57-I126 HydrophobicContact CE1-CG1 4.36Å; L64-I126 HydrophobicContact CD2-CD1 4.05Å; I80-I126 HydrophobicContact CB-CG2 3.58Å; I80-I126 HydrophobicContact CD1-CD1 4.02Å; I80-I126 HydrophobicContact CD1-CG1 4.27Å; I80-I126 HydrophobicContact CD1-CG2 3.81Å; I80-I126 HydrophobicContact CG1-CG2 4.24Å; I80-I126 HydrophobicContact CG2-CG2 3.65Å; V83-I126 HydrophobicContact CG2-CB 4.31Å; V83-I126 HydrophobicContact CG2-CD1 4.18Å; V83-I126 HydrophobicContact CG2-CG2 3.91Å; L99-I126 HydrophobicContact CD2-CD1 3.95Å; I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.49Å; I122-I126 WeakPolarHBondContact O-CB 3.45Å; I122-I126 WeakPolarHBondContact O-CG1 3.45Å; I122-I126 PolarHBondContact O-N 2.68Å; K123-I126 PolarHBondContact O-N 3.29Å
127	L	93	Very high	95.4	Very high	87 Å²	87	52.8 Å²	52.8	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	17.9	-172.4	-55.8	175.2	0	0	0	112.8	V83 K123	V83-L127 HydrophobicContact CB-CD1 4.41Å; V83-L127 HydrophobicContact CG2-CD1 4.41Å; V83-L127 HydrophobicContact CG2-CD2 4.45Å; V83-L127 HydrophobicContact CG2-CG 4.38Å; K123-L127 WeakPolarHBondContact O-CB 3.44Å; K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.29Å
128	N	85.9	Confident	95.2	Very high	186 Å²	186	56.8 Å²	56.8	100%	0.995	29%	0.29	S	S	*	.			trans	-71.8	0	179.6	-163.7	62.5	0	0	0	112.6	K124	K124-N128 WeakPolarHBondContact O-CB 3.35Å; K124-N128 PolarHBondContact O-N 2.95Å

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