A0A077Z9L2_TRITR Loading...

MYND finger family protein

AlphaFold DB , UniProt , Accession A0A077Z9L2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.5	Low	69.6	Low	160 Å²	160	97.2 Å²	97.2	79%	0.788	51%	0.509	S	S	*	.				0	149.6	0	-129.5	168	109	0	0	107.6	Q5 E6	M1-Q5 HydrophobicContact CE-CB 3.56Å; M1-Q5 HydrophobicContact CG-CB 4.31Å; M1-E6 HydrophobicContact CB-CG 4.23Å; M1-E6 HydrophobicContact CE-CG 3.77Å; M1-E6 HydrophobicContact SD-CG 4.28Å
2	L	62.3	Low	70.4	Confident	78 Å²	78	98.8 Å²	98.8	41%	0.408	52%	0.516	S	S	.	.			trans	-69	140.2	171.3	-73.2	179.9	0	0	0	109.3	T4 Q5 E6 I12	L2-T4 PolarHBondContact O-N 3.08Å; L2-T4 VanDerWaalsContact O-N 3.11Å; L2-Q5 WeakPolarHBondContact O-CB 3.22Å; L2-Q5 PolarHBondContact O-N 3.04Å; L2-E6 PolarHBondContact O-N 3.49Å; L2-I12 HydrophobicContact CD1-CB 4.4Å; L2-I12 HydrophobicContact CD1-CD1 4.42Å; L2-I12 HydrophobicContact CD1-CG1 3.41Å; L2-I12 VanDerWaalsContact CD1-CG1 3.41Å; L2-I12 HydrophobicContact CG-CG1 4.45Å
3	K	67.1	Low	71.3	Confident	175 Å²	175	100.7 Å²	100.7	76%	0.761	53%	0.527	S	S	*	.	H	α-helix	trans	-53.9	-32.3	174.1	-74	-175.7	177.4	179	0	112	E6 S7	K3-E6 PolarHBondContact O-N 3.01Å; K3-S7 WeakPolarHBondContact O-CB 3.07Å; K3-S7 PolarHBondContact O-N 2.96Å; K3-S7 PolarHBondContact O-OG 3.43Å
4	T	62.8	Low	71.8	Confident	34 Å²	34	99.1 Å²	99.1	21%	0.209	52%	0.519	C	S	.	.	H	α-helix	trans	-69.7	-33.1	177.4	53.3	0	0	0	0	113.1	L2 E6 F8 G9 W10 T15	L2-T4 PolarHBondContact O-N 3.08Å; L2-T4 VanDerWaalsContact O-N 3.11Å; T4-E6 VanDerWaalsContact C-N 3.34Å; T4-F8 WeakPolarHBondContact O-CA 3.46Å; T4-F8 WeakPolarHBondContact O-CB 3.38Å; T4-F8 PolarHBondContact O-N 3.08Å; T4-G9 PolarHBondContact O-N 2.79Å; T4-W10 PolarHBondContact O-N 2.74Å; T4-T15 HydrophobicContact CG2-CG2 4.07Å; T4-T15 PolarHBondContact OG1-OG1 3.31Å; T4-T15 VanDerWaalsContact OG1-OG1 3.09Å
5	Q	66.8	Low	72.2	Confident	81 Å²	81	94 Å²	94	38%	0.379	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-39	170.6	-85.9	-167.8	-74.2	0	0	111.4	M1 L2 G9 W10	M1-Q5 HydrophobicContact CE-CB 3.56Å; M1-Q5 HydrophobicContact CG-CB 4.31Å; L2-Q5 WeakPolarHBondContact O-CB 3.22Å; L2-Q5 PolarHBondContact O-N 3.04Å; Q5-G9 WeakPolarHBondContact O-CA 3.36Å; Q5-G9 PolarHBondContact O-N 3.16Å; Q5-W10 WeakPolarHBondContact CG-O 3.14Å
6	E	69.9	Low	72.7	Confident	132 Å²	132	92.4 Å²	92.4	62%	0.617	49%	0.493	S	S	*	.	H	α-helix	trans	-71.6	-43	179.4	-68.1	175.8	176.6	0	0	111.9	M1 L2 K3 T4	M1-E6 HydrophobicContact CB-CG 4.23Å; M1-E6 HydrophobicContact CE-CG 3.77Å; M1-E6 HydrophobicContact SD-CG 4.28Å; L2-E6 PolarHBondContact O-N 3.49Å; K3-E6 PolarHBondContact O-N 3.01Å; T4-E6 VanDerWaalsContact C-N 3.34Å
7	S	72.8	Confident	73	Confident	84 Å²	84	91.7 Å²	91.7	59%	0.587	49%	0.493	S	S	*	.	H	α-helix	trans	-80.8	-36.7	-176.1	-61.6	0	0	0	0	113.9	K3	K3-S7 WeakPolarHBondContact O-CB 3.07Å; K3-S7 PolarHBondContact O-N 2.96Å; K3-S7 PolarHBondContact O-OG 3.43Å
8	F	71.3	Confident	73.3	Confident	130 Å²	130	94.4 Å²	94.4	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-128.7	-4.1	-169.5	-53.7	-69.8	0	0	0	113.8	T4 W10	T4-F8 WeakPolarHBondContact O-CA 3.46Å; T4-F8 WeakPolarHBondContact O-CB 3.38Å; T4-F8 PolarHBondContact O-N 3.08Å; F8-W10 HydrophobicContact CB-CD2 3.64Å; F8-W10 HydrophobicContact CB-CE3 4.3Å; F8-W10 HydrophobicContact CB-CG 3.73Å; F8-W10 HydrophobicContact CB-CZ2 4.11Å; F8-W10 HydrophobicContact CD2-CD2 4.42Å; F8-W10 HydrophobicContact CD2-CE3 4.24Å; F8-W10 HydrophobicContact CD2-CH2 4.44Å; F8-W10 HydrophobicContact CD2-CZ3 4.25Å; F8-W10 HydrophobicContact CG-CD2 4.26Å; F8-W10 HydrophobicContact CG-CH2 4.44Å; F8-W10 HydrophobicContact CG-CZ2 4.2Å; F8-W10 PolarHBondContact O-N 2.83Å
9	G	77.2	Confident	73.6	Confident	60 Å²	60	92.3 Å²	92.3	62%	0.619	48%	0.484	S	S	*	.			trans	70.9	13.4	-175.1	0	0	0	0	0	114.1	T4 Q5	T4-G9 PolarHBondContact O-N 2.79Å; Q5-G9 WeakPolarHBondContact O-CA 3.36Å; Q5-G9 PolarHBondContact O-N 3.16Å
10	W	76.9	Confident	73.9	Confident	89 Å²	89	91.2 Å²	91.2	34%	0.337	48%	0.484	S	S	.	.			trans	-80.2	131.4	-172.7	-68.3	-5.5	0	0	0	112.8	T4 Q5 F8 D14 R18	T4-W10 PolarHBondContact O-N 2.74Å; Q5-W10 WeakPolarHBondContact CG-O 3.14Å; F8-W10 HydrophobicContact CB-CD2 3.64Å; F8-W10 HydrophobicContact CB-CE3 4.3Å; F8-W10 HydrophobicContact CB-CG 3.73Å; F8-W10 HydrophobicContact CB-CZ2 4.11Å; F8-W10 HydrophobicContact CD2-CD2 4.42Å; F8-W10 HydrophobicContact CD2-CE3 4.24Å; F8-W10 HydrophobicContact CD2-CH2 4.44Å; F8-W10 HydrophobicContact CD2-CZ3 4.25Å; F8-W10 HydrophobicContact CG-CD2 4.26Å; F8-W10 HydrophobicContact CG-CH2 4.44Å; F8-W10 HydrophobicContact CG-CZ2 4.2Å; F8-W10 PolarHBondContact O-N 2.83Å; W10-D14 HydrophobicContact CB-CB 3.97Å; W10-D14 HydrophobicContact CG-CB 4.28Å; W10-R18 HydrophobicContact CH2-CG 4.38Å; W10-R18 HydrophobicContact CZ3-CG 4.3Å
11	S	83.2	Confident	73.8	Confident	46 Å²	46	90.4 Å²	90.4	32%	0.322	48%	0.48	S	S	.	.			trans	-66.6	169.5	168.6	72.3	0	0	0	0	111.7	N13 D14 T15	S11-N13 PolarHBondContact O-N 2.77Å; S11-N13 PolarHBondContact OG-N 3.15Å; S11-D14 VanDerWaalsContact CB-OD2 3.29Å; S11-D14 WeakPolarHBondContact CB-OD2 3.29Å; S11-D14 PolarHBondContact N-OD2 2.84Å; S11-D14 PolarHBondContact O-N 3.43Å; S11-D14 PolarHBondContact OG-N 2.76Å; S11-D14 VanDerWaalsContact OG-N 3.15Å; S11-D14 PolarHBondContact OG-OD2 3.22Å; S11-T15 PolarHBondContact O-N 3.09Å; S11-T15 PolarHBondContact O-OG1 3.06Å
12	I	79.6	Confident	74.7	Confident	117 Å²	117	84.8 Å²	84.8	60%	0.6	46%	0.456	S	S	*	.	H	α-helix	trans	-55.9	-43.2	171.4	-69.2	162.4	0	0	0	110.3	L2 T15 S16	L2-I12 HydrophobicContact CD1-CB 4.4Å; L2-I12 HydrophobicContact CD1-CD1 4.42Å; L2-I12 HydrophobicContact CD1-CG1 3.41Å; L2-I12 VanDerWaalsContact CD1-CG1 3.41Å; L2-I12 HydrophobicContact CG-CG1 4.45Å; I12-T15 PolarHBondContact O-N 3.05Å; I12-S16 WeakPolarHBondContact O-CB 3.48Å; I12-S16 PolarHBondContact O-N 2.88Å
13	N	82.2	Confident	75.2	Confident	123 Å²	123	82.9 Å²	82.9	66%	0.658	45%	0.447	S	S	*	.	H	α-helix	trans	-63	-46	178.4	-88.6	55.7	0	0	0	111.7	S11 T15 S16 T17	S11-N13 PolarHBondContact O-N 2.77Å; S11-N13 PolarHBondContact OG-N 3.15Å; N13-T15 VanDerWaalsContact C-N 3.29Å; N13-T15 PolarHBondContact O-N 3.47Å; N13-S16 PolarHBondContact O-N 2.92Å; N13-T17 PolarHBondContact O-N 2.83Å; N13-T17 PolarHBondContact O-OG1 2.92Å
14	D	78.1	Confident	75.4	Confident	78 Å²	78	78.7 Å²	78.7	42%	0.417	45%	0.445	S	S	.	.	H	α-helix	trans	-60.5	-43.4	178.6	-58	-45.7	0	0	0	111	W10 S11 S16 T17 R18	W10-D14 HydrophobicContact CB-CB 3.97Å; W10-D14 HydrophobicContact CG-CB 4.28Å; S11-D14 VanDerWaalsContact CB-OD2 3.29Å; S11-D14 WeakPolarHBondContact CB-OD2 3.29Å; S11-D14 PolarHBondContact N-OD2 2.84Å; S11-D14 PolarHBondContact O-N 3.43Å; S11-D14 PolarHBondContact OG-N 2.76Å; S11-D14 VanDerWaalsContact OG-N 3.15Å; S11-D14 PolarHBondContact OG-OD2 3.22Å; D14-S16 VanDerWaalsContact C-N 3.35Å; D14-S16 PolarHBondContact O-N 2.76Å; D14-T17 PolarHBondContact O-N 3.27Å; D14-R18 VanDerWaalsContact O-CG 3.29Å; D14-R18 WeakPolarHBondContact O-CG 3.3Å; D14-R18 PolarHBondContact O-N 3.15Å
15	T	77.3	Confident	75.3	Confident	23 Å²	23	78.6 Å²	78.6	14%	0.141	45%	0.445	C	S	.	.	H	α-helix	trans	-62	-44	177.4	-53.3	0	0	0	0	110.7	T4 S11 I12 N13 R18 I19	T4-T15 HydrophobicContact CG2-CG2 4.07Å; T4-T15 PolarHBondContact OG1-OG1 3.31Å; T4-T15 VanDerWaalsContact OG1-OG1 3.09Å; S11-T15 PolarHBondContact O-N 3.09Å; S11-T15 PolarHBondContact O-OG1 3.06Å; I12-T15 PolarHBondContact O-N 3.05Å; N13-T15 VanDerWaalsContact C-N 3.29Å; N13-T15 PolarHBondContact O-N 3.47Å; T15-R18 PolarHBondContact O-N 3.28Å; T15-I19 HydrophobicContact CG2-CD1 4.08Å; T15-I19 WeakPolarHBondContact O-CG1 3.34Å; T15-I19 PolarHBondContact O-N 3.42Å
16	S	80.3	Confident	75.3	Confident	69 Å²	69	80.7 Å²	80.7	48%	0.483	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-45.3	178.4	-170.4	0	0	0	0	112.2	I12 N13 D14 R18 I19 S20	I12-S16 WeakPolarHBondContact O-CB 3.48Å; I12-S16 PolarHBondContact O-N 2.88Å; N13-S16 PolarHBondContact O-N 2.92Å; D14-S16 VanDerWaalsContact C-N 3.35Å; D14-S16 PolarHBondContact O-N 2.76Å; S16-R18 VanDerWaalsContact C-N 3.31Å; S16-R18 PolarHBondContact O-N 3.39Å; S16-I19 PolarHBondContact O-N 3.4Å; S16-S20 PolarHBondContact O-N 3.03Å; S16-S20 PolarHBondContact O-OG 3.28Å
17	T	78.7	Confident	75.1	Confident	80 Å²	80	79.1 Å²	79.1	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-60.1	-43.6	177.5	-59.7	0	0	0	0	110.9	N13 D14 I19 S20 D21	N13-T17 PolarHBondContact O-N 2.83Å; N13-T17 PolarHBondContact O-OG1 2.92Å; D14-T17 PolarHBondContact O-N 3.27Å; T17-I19 PolarHBondContact O-N 2.91Å; T17-S20 PolarHBondContact O-N 3.17Å; T17-D21 VanDerWaalsContact O-CG 3.28Å; T17-D21 PolarHBondContact O-N 3.46Å
18	R	77.5	Confident	75.3	Confident	141 Å²	141	76.4 Å²	76.4	53%	0.532	43%	0.434	S	S	.	.	H	α-helix	trans	-64.3	-40.1	177.6	-69.7	-60.7	-173.4	178.9	1.9	113.1	W10 D14 T15 S16 D21 C22	W10-R18 HydrophobicContact CH2-CG 4.38Å; W10-R18 HydrophobicContact CZ3-CG 4.3Å; D14-R18 VanDerWaalsContact O-CG 3.29Å; D14-R18 WeakPolarHBondContact O-CG 3.3Å; D14-R18 PolarHBondContact O-N 3.15Å; T15-R18 PolarHBondContact O-N 3.28Å; S16-R18 VanDerWaalsContact C-N 3.31Å; S16-R18 PolarHBondContact O-N 3.39Å; R18-D21 PolarHBondContact O-N 3.35Å; R18-C22 PolarHBondContact O-N 3.44Å; R18-C22 PolarHBondContact O-SG 3.41Å
19	I	78.7	Confident	75.5	Confident	54 Å²	54	74.1 Å²	74.1	28%	0.277	43%	0.427	S	S	.	.	H	α-helix	trans	-63.1	-45.1	175	-69.8	169.6	0	0	0	110.2	T15 S16 T17 D21 C22 V23 Y39	T15-I19 HydrophobicContact CG2-CD1 4.08Å; T15-I19 WeakPolarHBondContact O-CG1 3.34Å; T15-I19 PolarHBondContact O-N 3.42Å; S16-I19 PolarHBondContact O-N 3.4Å; T17-I19 PolarHBondContact O-N 2.91Å; I19-D21 VanDerWaalsContact C-N 3.29Å; I19-D21 PolarHBondContact O-N 3.23Å; I19-C22 WeakPolarHBondContact O-CB 3.39Å; I19-C22 PolarHBondContact O-N 2.82Å; I19-C22 VanDerWaalsContact O-N 3.1Å; I19-V23 HydrophobicContact CG2-CG2 4.36Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.25Å; I19-Y39 HydrophobicContact CD1-CE2 4.37Å; I19-Y39 HydrophobicContact CG2-CD1 3.79Å; I19-Y39 HydrophobicContact CG2-CD2 4.25Å; I19-Y39 HydrophobicContact CG2-CE1 3.35Å; I19-Y39 HydrophobicContact CG2-CE2 3.84Å; I19-Y39 HydrophobicContact CG2-CG 4.24Å
20	S	79.1	Confident	75.5	Confident	70 Å²	70	76.3 Å²	76.3	49%	0.49	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-40.8	175.9	-61.6	0	0	0	0	112.2	S16 T17 V23 A24	S16-S20 PolarHBondContact O-N 3.03Å; S16-S20 PolarHBondContact O-OG 3.28Å; T17-S20 PolarHBondContact O-N 3.17Å; S20-V23 PolarHBondContact O-N 3.07Å; S20-A24 WeakPolarHBondContact O-CB 3.38Å; S20-A24 PolarHBondContact O-N 3.38Å
21	D	73	Confident	75.5	Confident	75 Å²	75	74.1 Å²	74.1	40%	0.401	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-43.3	173.7	-65.7	-21.6	0	0	0	111.4	T17 R18 I19 V23 A24 T25	T17-D21 VanDerWaalsContact O-CG 3.28Å; T17-D21 PolarHBondContact O-N 3.46Å; R18-D21 PolarHBondContact O-N 3.35Å; I19-D21 VanDerWaalsContact C-N 3.29Å; I19-D21 PolarHBondContact O-N 3.23Å; D21-V23 VanDerWaalsContact C-N 3.33Å; D21-V23 PolarHBondContact O-N 2.98Å; D21-A24 PolarHBondContact O-N 3.24Å; D21-T25 WeakPolarHBondContact O-CB 3.37Å; D21-T25 WeakPolarHBondContact O-CG2 3.49Å; D21-T25 PolarHBondContact O-N 3.03Å; D21-T25 VanDerWaalsContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.23Å
22	C	74.5	Confident	75.3	Confident	41 Å²	41	80.1 Å²	80.1	28%	0.277	44%	0.444	S	S	.	.	H	α-helix	trans	-64.1	-35.7	176.8	-69.9	0	0	0	0	112.9	R18 I19 T25 N26 L27 V28	R18-C22 PolarHBondContact O-N 3.44Å; R18-C22 PolarHBondContact O-SG 3.41Å; I19-C22 WeakPolarHBondContact O-CB 3.39Å; I19-C22 PolarHBondContact O-N 2.82Å; I19-C22 VanDerWaalsContact O-N 3.1Å; C22-T25 WeakPolarHBondContact CA-OG1 3.4Å; C22-T25 PolarHBondContact O-OG1 3.15Å; C22-T25 VanDerWaalsContact O-OG1 3.05Å; C22-N26 PolarHBondContact O-N 3.29Å; C22-L27 HydrophobicContact CB-CB 4.32Å; C22-L27 PolarHBondContact O-N 3.47Å; C22-V28 HydrophobicContact CB-CB 4.1Å; C22-V28 HydrophobicContact CB-CG2 3.89Å; C22-V28 PolarHBondContact O-N 2.89Å; C22-V28 VanDerWaalsContact O-N 3.17Å
23	V	73.3	Confident	75.1	Confident	38 Å²	38	79.8 Å²	79.8	23%	0.23	44%	0.44	C	S	.	.	H	α-helix	trans	-71.5	-45.6	175	174	0	0	0	0	110.9	I19 S20 D21 T25 N26 V28 E30 Y39	I19-V23 HydrophobicContact CG2-CG2 4.36Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.25Å; S20-V23 PolarHBondContact O-N 3.07Å; D21-V23 VanDerWaalsContact C-N 3.33Å; D21-V23 PolarHBondContact O-N 2.98Å; V23-T25 PolarHBondContact O-N 2.82Å; V23-T25 VanDerWaalsContact O-N 3.09Å; V23-N26 PolarHBondContact O-N 3.29Å; V23-V28 WeakPolarHBondContact CA-O 3.3Å; V23-V28 HydrophobicContact CG2-CG1 4.48Å; V23-E30 HydrophobicContact CG1-CB 4.24Å; V23-E30 HydrophobicContact CG2-CB 4.17Å; V23-Y39 HydrophobicContact CG2-CD1 4.07Å; V23-Y39 HydrophobicContact CG2-CE1 3.91Å
24	A	70.2	Confident	74.8	Confident	87 Å²	87	80.4 Å²	80.4	72%	0.719	45%	0.454	S	S	*	.	H	α-helix	trans	-59.6	-23.6	177.1	0	0	0	0	0	113.1	S20 D21	S20-A24 WeakPolarHBondContact O-CB 3.38Å; S20-A24 PolarHBondContact O-N 3.38Å; D21-A24 PolarHBondContact O-N 3.24Å
25	T	61.2	Low	74.6	Confident	33 Å²	33	86.2 Å²	86.2	20%	0.202	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.5	-179	53.9	0	0	0	0	113.3	D21 C22 V23 L27 Y56	D21-T25 WeakPolarHBondContact O-CB 3.37Å; D21-T25 WeakPolarHBondContact O-CG2 3.49Å; D21-T25 PolarHBondContact O-N 3.03Å; D21-T25 VanDerWaalsContact O-N 3.1Å; D21-T25 PolarHBondContact O-OG1 3.23Å; C22-T25 WeakPolarHBondContact CA-OG1 3.4Å; C22-T25 PolarHBondContact O-OG1 3.15Å; C22-T25 VanDerWaalsContact O-OG1 3.05Å; V23-T25 PolarHBondContact O-N 2.82Å; V23-T25 VanDerWaalsContact O-N 3.09Å; T25-L27 PolarHBondContact O-N 3.37Å; T25-L27 WeakPolarHBondContact OG1-CD1 3.37Å; T25-Y56 WeakPolarHBondContact CG2-OH 2.97Å
26	N	67.2	Low	74.6	Confident	124 Å²	124	86.7 Å²	86.7	66%	0.663	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	15.7	-174.8	-76.6	-12.1	0	0	0	114.8	C22 V23 V28	C22-N26 PolarHBondContact O-N 3.29Å; V23-N26 PolarHBondContact O-N 3.29Å; N26-V28 PolarHBondContact O-N 2.93Å
27	L	65.6	Low	74.5	Confident	100 Å²	100	86.7 Å²	86.7	52%	0.524	49%	0.485	S	S	.	.	S	Bend	trans	-63.7	-37.9	169.7	-80	165.6	0	0	0	110.2	C22 T25 G42	C22-L27 HydrophobicContact CB-CB 4.32Å; C22-L27 PolarHBondContact O-N 3.47Å; T25-L27 PolarHBondContact O-N 3.37Å; T25-L27 WeakPolarHBondContact OG1-CD1 3.37Å; L27-G42 PolarHBondContact O-N 3.2Å
28	V	76	Confident	74.5	Confident	26 Å²	26	85.1 Å²	85.1	16%	0.158	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137	177.8	176.2	0	0	0	0	108.2	C22 V23 N26 Y39 L40	C22-V28 HydrophobicContact CB-CB 4.1Å; C22-V28 HydrophobicContact CB-CG2 3.89Å; C22-V28 PolarHBondContact O-N 2.89Å; C22-V28 VanDerWaalsContact O-N 3.17Å; V23-V28 WeakPolarHBondContact CA-O 3.3Å; V23-V28 HydrophobicContact CG2-CG1 4.48Å; N26-V28 PolarHBondContact O-N 2.93Å; V28-Y39 VanDerWaalsContact CG1-CB 3.45Å; V28-Y39 HydrophobicContact CG1-CD1 3.69Å; V28-Y39 HydrophobicContact CG1-CG 3.97Å; V28-L40 CarbonylContact C-O 3.46Å; V28-L40 VanDerWaalsContact CA-O 3.26Å; V28-L40 WeakPolarHBondContact CA-O 3.39Å
29	I	75.3	Confident	74.4	Confident	83 Å²	83	83 Å²	83	43%	0.426	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.3	174.2	-58.4	175.1	0	0	0	107.4	L40	I29-L40 PolarHBondContact N-O 2.96Å; I29-L40 PolarHBondContact O-N 3.18Å
30	E	78.4	Confident	74.1	Confident	106 Å²	106	84.5 Å²	84.5	50%	0.495	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120.5	170.8	-168.2	171	-124.3	0	0	109.2	V23 V37 Y39	V23-E30 HydrophobicContact CG1-CB 4.24Å; V23-E30 HydrophobicContact CG2-CB 4.17Å; E30-V37 HydrophobicContact CG-CG1 3.34Å; E30-V37 VanDerWaalsContact OE1-CG1 3.3Å; E30-V37 WeakPolarHBondContact OE1-CG1 3.43Å; E30-Y39 HydrophobicContact CB-CD1 4.3Å; E30-Y39 HydrophobicContact CB-CE1 4.01Å; E30-Y39 HydrophobicContact CG-CD1 4.32Å; E30-Y39 HydrophobicContact CG-CE1 3.71Å; E30-Y39 WeakPolarHBondContact OE1-CE1 2.96Å; E30-Y39 PolarHBondContact OE1-OH 3.29Å
31	S	75.9	Confident	73.3	Confident	42 Å²	42	88.3 Å²	88.3	29%	0.294	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.5	176.3	-176.1	0	0	0	0	109.5	V38	S31-V38 PolarHBondContact N-O 3.45Å; S31-V38 PolarHBondContact O-N 2.8Å
32	M	79.3	Confident	72.7	Confident	172 Å²	172	86 Å²	86	85%	0.847	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	108.5	178.4	-138.2	172.4	-164.1	0	0	108.7
33	E	74.6	Confident	71.5	Confident	111 Å²	111	86.2 Å²	86.2	52%	0.519	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	168.9	173.2	-65.2	-167.1	-174.6	0	0	110.5	E35 G36 V38	E33-E35 PolarHBondContact O-N 2.88Å; E33-E35 VanDerWaalsContact O-N 3.09Å; E33-G36 PolarHBondContact N-O 3.17Å; E33-G36 PolarHBondContact O-N 3.32Å; E33-G36 VanDerWaalsContact O-N 3.17Å; E33-V38 HydrophobicContact CB-CG2 4Å; E33-V38 HydrophobicContact CG-CB 4.36Å; E33-V38 HydrophobicContact CG-CG2 3.8Å
34	S	77.1	Confident	70.4	Confident	136 Å²	136	89.3 Å²	89.3	95%	0.951	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.7	-177.8	-52.1	0	0	0	0	113.8
35	E	74.4	Confident	69.4	Low	199 Å²	199	92 Å²	92	93%	0.93	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	0.4	-177.4	-62.4	-170.6	167.7	0	0	113.8	E33	E33-E35 PolarHBondContact O-N 2.88Å; E33-E35 VanDerWaalsContact O-N 3.09Å
36	G	76.8	Confident	68.8	Low	34 Å²	34	94.3 Å²	94.3	35%	0.351	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139.9	-164.3	178.2	0	0	0	0	0	114.1	E33	E33-G36 PolarHBondContact N-O 3.17Å; E33-G36 PolarHBondContact O-N 3.32Å; E33-G36 VanDerWaalsContact O-N 3.17Å
37	V	78.9	Confident	67.7	Low	68 Å²	68	95.4 Å²	95.4	41%	0.412	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.7	179.4	-178.9	0	0	0	0	109.6	E30 Y39	E30-V37 HydrophobicContact CG-CG1 3.34Å; E30-V37 VanDerWaalsContact OE1-CG1 3.3Å; E30-V37 WeakPolarHBondContact OE1-CG1 3.43Å; V37-Y39 HydrophobicContact CG1-CE1 4.01Å; V37-Y39 HydrophobicContact CG1-CE2 4Å
38	V	77	Confident	66.7	Low	48 Å²	48	93.3 Å²	93.3	29%	0.291	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.3	177.8	-173.5	0	0	0	0	109.3	S31 E33	S31-V38 PolarHBondContact N-O 3.45Å; S31-V38 PolarHBondContact O-N 2.8Å; E33-V38 HydrophobicContact CB-CG2 4Å; E33-V38 HydrophobicContact CG-CB 4.36Å; E33-V38 HydrophobicContact CG-CG2 3.8Å
39	Y	75.7	Confident	65.4	Low	97 Å²	97	95.8 Å²	95.8	38%	0.38	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	112.9	-178	-70.1	-65	0	0	0	109.3	I19 V23 V28 E30 V37	I19-Y39 HydrophobicContact CD1-CE2 4.37Å; I19-Y39 HydrophobicContact CG2-CD1 3.79Å; I19-Y39 HydrophobicContact CG2-CD2 4.25Å; I19-Y39 HydrophobicContact CG2-CE1 3.35Å; I19-Y39 HydrophobicContact CG2-CE2 3.84Å; I19-Y39 HydrophobicContact CG2-CG 4.24Å; V23-Y39 HydrophobicContact CG2-CD1 4.07Å; V23-Y39 HydrophobicContact CG2-CE1 3.91Å; V28-Y39 VanDerWaalsContact CG1-CB 3.45Å; V28-Y39 HydrophobicContact CG1-CD1 3.69Å; V28-Y39 HydrophobicContact CG1-CG 3.97Å; E30-Y39 HydrophobicContact CB-CD1 4.3Å; E30-Y39 HydrophobicContact CB-CE1 4.01Å; E30-Y39 HydrophobicContact CG-CD1 4.32Å; E30-Y39 HydrophobicContact CG-CE1 3.71Å; E30-Y39 WeakPolarHBondContact OE1-CE1 2.96Å; E30-Y39 PolarHBondContact OE1-OH 3.29Å; V37-Y39 HydrophobicContact CG1-CE1 4.01Å; V37-Y39 HydrophobicContact CG1-CE2 4Å
40	L	72.1	Confident	63.9	Low	84 Å²	84	99.5 Å²	99.5	44%	0.44	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	137.5	-179.8	-63.9	165.5	0	0	0	109.3	V28 I29 G42	V28-L40 CarbonylContact C-O 3.46Å; V28-L40 VanDerWaalsContact CA-O 3.26Å; V28-L40 WeakPolarHBondContact CA-O 3.39Å; I29-L40 PolarHBondContact N-O 2.96Å; I29-L40 PolarHBondContact O-N 3.18Å; L40-G42 PolarHBondContact O-N 3Å
41	L	64.1	Low	62.5	Low	151 Å²	151	100 Å²	100	79%	0.791	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-59.8	131	167.1	-75.2	163.3	0	0	0	108.2	G43	L41-G43 PolarHBondContact O-N 3.23Å; L41-G43 VanDerWaalsContact O-N 3.08Å
42	G	58.6	Low	61.1	Low	26 Å²	26	105.7 Å²	105.7	27%	0.268	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-52.1	119.8	175.8	0	0	0	0	0	109.5	L27 L40 V44	L27-G42 PolarHBondContact O-N 3.2Å; L40-G42 PolarHBondContact O-N 3Å; G42-V44 PolarHBondContact O-N 3.5Å; G42-V44 VanDerWaalsContact O-N 3.12Å
43	G	50.8	Low	59.8	Low	45 Å²	45	100.3 Å²	100.3	46%	0.464	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-53.4	118.8	-170	0	0	0	0	0	112.3	L41 D45	L41-G43 PolarHBondContact O-N 3.23Å; L41-G43 VanDerWaalsContact O-N 3.08Å; G43-D45 PolarHBondContact O-N 2.73Å; G43-D45 VanDerWaalsContact O-N 3.09Å
44	V	50	Low	58.6	Low	103 Å²	103	99.4 Å²	99.4	62%	0.624	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-17.9	169.4	175.8	0	0	0	0	110.9	G42 T46 F50	G42-V44 PolarHBondContact O-N 3.5Å; G42-V44 VanDerWaalsContact O-N 3.12Å; V44-T46 VanDerWaalsContact C-N 3.34Å; V44-T46 PolarHBondContact O-N 2.98Å; V44-F50 HydrophobicContact CB-CZ 4.29Å; V44-F50 HydrophobicContact CG1-CE2 4.05Å; V44-F50 HydrophobicContact CG1-CZ 3.73Å; V44-F50 WeakPolarHBondContact O-CE2 3.29Å
45	D	48.7	Very low	57.5	Low	145 Å²	145	100.3 Å²	100.3	78%	0.775	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	8.5	-168.7	-57.1	-34.7	0	0	0	115.2	G43 P47	G43-D45 PolarHBondContact O-N 2.73Å; G43-D45 VanDerWaalsContact O-N 3.09Å; D45-P47 WeakPolarHBondContact O-CD 3.49Å
46	T	48.2	Very low	56.5	Low	80 Å²	80	94.8 Å²	94.8	49%	0.491	54%	0.535	S	S	.	.			trans	-76.5	109.8	165.8	41.6	0	0	0	0	108.9	V44 G48 S49	V44-T46 VanDerWaalsContact C-N 3.34Å; V44-T46 PolarHBondContact O-N 2.98Å; T46-G48 PolarHBondContact O-N 3.29Å; T46-S49 PolarHBondContact O-N 3.26Å; T46-S49 WeakPolarHBondContact OG1-CB 3.24Å
47	P	43.7	Very low	55.4	Low	147 Å²	147	93.5 Å²	93.5	96%	0.955	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	28.8	-173	-13.2	31.6	0	0	0	113.9	D45	D45-P47 WeakPolarHBondContact O-CD 3.49Å
48	G	46.2	Very low	54.2	Low	56 Å²	56	96.5 Å²	96.5	58%	0.577	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.2	7.4	-177.5	0	0	0	0	0	114.6	T46 T51	T46-G48 PolarHBondContact O-N 3.29Å; G48-T51 WeakPolarHBondContact O-CG2 3.37Å
49	S	47.2	Very low	53.2	Low	79 Å²	79	100.4 Å²	100.4	55%	0.552	54%	0.543	S	S	*	.			trans	-101.2	-6.3	-175.6	-154.5	0	0	0	0	114.9	T46 T51	T46-S49 PolarHBondContact O-N 3.26Å; T46-S49 WeakPolarHBondContact OG1-CB 3.24Å; S49-T51 PolarHBondContact O-N 3.2Å
50	F	44.5	Very low	52.4	Low	160 Å²	160	97.8 Å²	97.8	70%	0.702	54%	0.538	S	S	*	.			trans	-78.2	51.3	166.1	-59.8	-72.7	0	0	0	110.4	V44 Q52	V44-F50 HydrophobicContact CB-CZ 4.29Å; V44-F50 HydrophobicContact CG1-CE2 4.05Å; V44-F50 HydrophobicContact CG1-CZ 3.73Å; V44-F50 WeakPolarHBondContact O-CE2 3.29Å; F50-Q52 PolarHBondContact O-N 3.2Å
51	T	48.6	Very low	51.7	Low	117 Å²	117	101 Å²	101	72%	0.718	55%	0.551	S	S	*	*			trans	-78.8	70.3	172.7	49.3	0	0	0	0	109.4	G48 S49 H53	G48-T51 WeakPolarHBondContact O-CG2 3.37Å; S49-T51 PolarHBondContact O-N 3.2Å; T51-H53 PolarHBondContact O-N 3.24Å
52	Q	47.4	Very low	51.3	Low	162 Å²	162	98 Å²	98	76%	0.757	54%	0.536	S	S	*	.	S	Bend	trans	97.8	-33	130.3	-131	170.6	18.7	0	0	119	F50	F50-Q52 PolarHBondContact O-N 3.2Å
53	H	50.8	Low	50.9	Low	58 Å²	58	100.5 Å²	100.5	27%	0.269	55%	0.554	S	S	.	*			trans	-155.6	144.8	179.3	-55.3	86.4	0	0	0	113.2	T51 V66 L75	T51-H53 PolarHBondContact O-N 3.24Å; H53-V66 HydrophobicContact CB-CG1 4.11Å; H53-L75 HydrophobicContact CB-CD1 4.42Å
54	D	50.9	Low	50.9	Low	93 Å²	93	99.9 Å²	99.9	50%	0.497	55%	0.547	S	S	.	.			trans	-57.8	139.8	170.3	-68.9	-37.7	0	0	0	110.6	Y56 L75	D54-Y56 PolarHBondContact O-N 2.97Å; D54-L75 WeakPolarHBondContact O-CD2 3.43Å
55	W	53.9	Low	51.1	Low	155 Å²	155	102.6 Å²	102.6	59%	0.587	55%	0.551	S	S	*	*	S	Bend	trans	-77.8	-4.3	175.1	-63	-12.8	0	0	0	113.8
56	Y	52.7	Low	51.2	Low	83 Å²	83	98.2 Å²	98.2	33%	0.325	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-119.9	149.1	-173.4	-59.6	-84.7	0	0	0	110.8	T25 D54 Q61 A63 L75	T25-Y56 WeakPolarHBondContact CG2-OH 2.97Å; D54-Y56 PolarHBondContact O-N 2.97Å; Y56-Q61 WeakPolarHBondContact CD1-O 3.49Å; Y56-A63 HydrophobicContact CD1-CB 4.18Å; Y56-A63 HydrophobicContact CE1-CB 3.78Å; Y56-L75 WeakPolarHBondContact O-CB 2.85Å
57	C	54.3	Low	51.4	Low	6 Å²	6	100 Å²	100	4%	0.041	54%	0.535	C	S	.	.	B	Isolated β-bridge	trans	-71.6	139.3	171.3	175.6	0	0	0	0	112.8	E59 C60 Q61 N62 L75 N76	C57-E59 PolarHBondContact SG-N 3Å; C57-C60 WeakPolarHBondContact CB-SG 3.16Å; C57-C60 PolarHBondContact SG-N 3.5Å; C57-C60 VanDerWaalsContact SG-SG 3.62Å; C57-Q61 WeakPolarHBondContact O-CA 3.36Å; C57-Q61 PolarHBondContact O-N 3.31Å; C57-N62 PolarHBondContact N-O 2.91Å; C57-L75 WeakPolarHBondContact CA-O 3.45Å; C57-L75 WeakPolarHBondContact CB-O 3.42Å; C57-L75 PolarHBondContact SG-O 3.08Å; C57-N76 HydrophobicContact CB-CB 4.16Å; C57-N76 WeakPolarHBondContact SG-CB 3.33Å; C57-N76 PolarHBondContact SG-ND2 3.41Å
58	F	53.3	Low	51.6	Low	131 Å²	131	96.8 Å²	96.8	58%	0.575	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.2	172	178.2	-106.8	0	0	0	114.4	R74 L75	F58-R74 HydrophobicContact CB-CB 3.54Å; F58-R74 HydrophobicContact CB-CG 4.18Å; F58-R74 VanDerWaalsContact CD2-CD 3.5Å; F58-R74 HydrophobicContact CG-CB 4.33Å; F58-L75 PolarHBondContact N-O 3.03Å
59	E	55.3	Low	51.8	Low	130 Å²	130	96.1 Å²	96.1	61%	0.607	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-47.5	177.5	-66.9	179.3	168.7	0	0	111.9	C57 N76 C79	C57-E59 PolarHBondContact SG-N 3Å; E59-N76 PolarHBondContact OE2-ND2 3.3Å; E59-C79 VanDerWaalsContact OE2-CB 3.29Å; E59-C79 WeakPolarHBondContact OE2-CB 3.18Å; E59-C79 PolarHBondContact OE2-SG 2.92Å
60	C	58.3	Low	52.1	Low	42 Å²	42	101.8 Å²	101.8	28%	0.284	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-7.6	-173.9	69.4	0	0	0	0	115.8	C57 N62	C57-C60 WeakPolarHBondContact CB-SG 3.16Å; C57-C60 PolarHBondContact SG-N 3.5Å; C57-C60 VanDerWaalsContact SG-SG 3.62Å; C60-N62 PolarHBondContact O-N 2.63Å; C60-N62 PolarHBondContact O-OD1 2.93Å
61	Q	58.6	Low	52.4	Low	153 Å²	153	99.7 Å²	99.7	72%	0.715	52%	0.524	S	S	*	.			trans	55.9	16	178.9	-57.9	-179.7	12.3	0	0	115.5	Y56 C57	Y56-Q61 WeakPolarHBondContact CD1-O 3.49Å; C57-Q61 WeakPolarHBondContact O-CA 3.36Å; C57-Q61 PolarHBondContact O-N 3.31Å
62	N	54.4	Low	52.3	Low	88 Å²	88	96.9 Å²	96.9	47%	0.471	51%	0.509	S	S	.	.			trans	-86	145.6	178.9	-67.2	-27.9	0	0	0	111.5	C57 C60	C57-N62 PolarHBondContact N-O 2.91Å; C60-N62 PolarHBondContact O-N 2.63Å; C60-N62 PolarHBondContact O-OD1 2.93Å
63	A	51.9	Low	52.5	Low	78 Å²	78	98.1 Å²	98.1	65%	0.645	51%	0.512	S	S	*	.	B	Isolated β-bridge	trans	-76.8	140.4	174.9	0	0	0	0	0	111.5	Y56	Y56-A63 HydrophobicContact CD1-CB 4.18Å; Y56-A63 HydrophobicContact CE1-CB 3.78Å
64	G	50.9	Low	52.6	Low	32 Å²	32	101.7 Å²	101.7	33%	0.33	52%	0.523	S	S	.	.			trans	-171.7	164	174.6	0	0	0	0	0	114.3	V66	G64-V66 PolarHBondContact O-N 3.37Å
65	K	52.8	Low	52.7	Low	159 Å²	159	98 Å²	98	69%	0.691	50%	0.503	S	S	*	.			trans	-52.4	109.4	173.4	-177.6	-176.6	178.6	178	0	110.9	I67 K77	K65-I67 PolarHBondContact O-N 2.83Å; K65-K77 VanDerWaalsContact N-CE 3.26Å; K65-K77 WeakPolarHBondContact O-CE 3.37Å
66	V	50.9	Low	52.7	Low	53 Å²	53	91.6 Å²	91.6	32%	0.321	48%	0.481	S	S	.	.			trans	-62.9	121	176.5	173.8	0	0	0	0	109.4	H53 G64 L75	H53-V66 HydrophobicContact CB-CG1 4.11Å; G64-V66 PolarHBondContact O-N 3.37Å; V66-L75 HydrophobicContact CB-CD1 3.85Å; V66-L75 HydrophobicContact CB-CD2 4.13Å; V66-L75 HydrophobicContact CG1-CD1 3.33Å; V66-L75 HydrophobicContact CG1-CG 4.48Å; V66-L75 HydrophobicContact CG2-CD1 3.94Å; V66-L75 HydrophobicContact CG2-CD2 3.56Å; V66-L75 HydrophobicContact CG2-CG 4.37Å
67	I	53.2	Low	52.7	Low	119 Å²	119	92.7 Å²	92.7	61%	0.61	49%	0.487	S	S	*	.			trans	-113.5	130.5	161.8	-53.2	176.7	0	0	0	105.5	K65 C69	K65-I67 PolarHBondContact O-N 2.83Å; I67-C69 PolarHBondContact O-N 3.01Å
68	S	47.8	Very low	52.5	Low	79 Å²	79	98.4 Å²	98.4	55%	0.552	51%	0.513	S	S	*	.			trans	-64.6	115.2	-178	53.3	0	0	0	0	110.2
69	C	50	Low	52.6	Low	41 Å²	41	93.4 Å²	93.4	28%	0.277	49%	0.494	S	S	.	.			trans	-90	119.1	162.7	-177.1	0	0	0	0	107.9	I67 S71 C72	I67-C69 PolarHBondContact O-N 3.01Å; C69-S71 PolarHBondContact O-N 3.4Å; C69-S71 PolarHBondContact SG-N 2.71Å; C69-S71 VanDerWaalsContact SG-N 3.43Å; C69-C72 PolarHBondContact SG-SG 2.8Å
70	E	54.3	Low	53.2	Low	199 Å²	199	89.9 Å²	89.9	93%	0.93	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.7	175.9	-62.4	-178	175.5	0	0	112.5
71	S	49.2	Very low	53.9	Low	116 Å²	116	90.8 Å²	90.8	81%	0.811	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-18.1	-173	-38	0	0	0	0	114	C69	C69-S71 PolarHBondContact O-N 3.4Å; C69-S71 PolarHBondContact SG-N 2.71Å; C69-S71 VanDerWaalsContact SG-N 3.43Å
72	C	47.2	Very low	54.7	Low	57 Å²	57	87.7 Å²	87.7	39%	0.385	48%	0.476	S	S	.	.			trans	-140.1	124.1	177.7	65.6	0	0	0	0	111.2	C69 R74	C69-C72 PolarHBondContact SG-SG 2.8Å; C72-R74 PolarHBondContact O-N 3.38Å; C72-R74 PolarHBondContact SG-O 2.94Å
73	F	51.5	Low	55.8	Low	189 Å²	189	90.4 Å²	90.4	83%	0.829	48%	0.479	S	S	*	.	S	Bend	trans	-64.9	-4.5	176	-71.8	-75.6	0	0	0	113.8
74	R	52.7	Low	57.2	Low	132 Å²	132	90.6 Å²	90.6	50%	0.498	47%	0.469	S	S	.	.	S	Bend	trans	-126.9	121.1	-177	-60.1	-173.4	177.7	168.8	-2.9	110.4	F58 C72	F58-R74 HydrophobicContact CB-CB 3.54Å; F58-R74 HydrophobicContact CB-CG 4.18Å; F58-R74 VanDerWaalsContact CD2-CD 3.5Å; F58-R74 HydrophobicContact CG-CB 4.33Å; C72-R74 PolarHBondContact O-N 3.38Å; C72-R74 PolarHBondContact SG-O 2.94Å
75	L	54.4	Low	58.9	Low	16 Å²	16	95.9 Å²	95.9	8%	0.084	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-57.5	156.7	-170	-142.9	80.6	0	0	0	114.4	H53 D54 Y56 C57 F58 V66	H53-L75 HydrophobicContact CB-CD1 4.42Å; D54-L75 WeakPolarHBondContact O-CD2 3.43Å; Y56-L75 WeakPolarHBondContact O-CB 2.85Å; C57-L75 WeakPolarHBondContact CA-O 3.45Å; C57-L75 WeakPolarHBondContact CB-O 3.42Å; C57-L75 PolarHBondContact SG-O 3.08Å; F58-L75 PolarHBondContact N-O 3.03Å; V66-L75 HydrophobicContact CB-CD1 3.85Å; V66-L75 HydrophobicContact CB-CD2 4.13Å; V66-L75 HydrophobicContact CG1-CD1 3.33Å; V66-L75 HydrophobicContact CG1-CG 4.48Å; V66-L75 HydrophobicContact CG2-CD1 3.94Å; V66-L75 HydrophobicContact CG2-CD2 3.56Å; V66-L75 HydrophobicContact CG2-CG 4.37Å
76	N	52	Low	60.6	Low	21 Å²	21	93 Å²	93	11%	0.112	47%	0.471	C	S	.	.			trans	-159.9	139.9	150	-159.7	-26.8	0	0	0	110.6	C57 E59 E78 C79	C57-N76 HydrophobicContact CB-CB 4.16Å; C57-N76 WeakPolarHBondContact SG-CB 3.33Å; C57-N76 PolarHBondContact SG-ND2 3.41Å; E59-N76 PolarHBondContact OE2-ND2 3.3Å; N76-E78 PolarHBondContact OD1-N 3.03Å; N76-C79 HydrophobicContact CB-CB 3.79Å; N76-C79 WeakPolarHBondContact ND2-CB 3.39Å; N76-C79 PolarHBondContact ND2-N 3.35Å; N76-C79 PolarHBondContact OD1-N 2.94Å
77	K	53.4	Low	62.3	Low	105 Å²	105	98.2 Å²	98.2	46%	0.457	49%	0.485	S	S	.	.	S	Bend	trans	-94.9	-41.7	166.5	-88.5	-161.6	173.7	-171.3	0	113.5	K65 A81	K65-K77 VanDerWaalsContact N-CE 3.26Å; K65-K77 WeakPolarHBondContact O-CE 3.37Å; K77-A81 PolarHBondContact O-N 2.92Å; K77-A81 VanDerWaalsContact O-N 3.13Å
78	E	51.2	Low	64.2	Low	126 Å²	126	97 Å²	97	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-81.2	-36.1	-172.6	-68.9	178.5	161.6	0	0	111.1	N76 D80 A81 E82	N76-E78 PolarHBondContact OD1-N 3.03Å; E78-D80 VanDerWaalsContact C-N 3.32Å; E78-A81 PolarHBondContact O-N 2.87Å; E78-E82 PolarHBondContact O-N 3.1Å
79	C	54.9	Low	66.5	Low	26 Å²	26	96.8 Å²	96.8	18%	0.176	47%	0.471	C	S	.	.	H	α-helix	trans	-68.5	-32.2	169.7	-177.4	0	0	0	0	111.6	E59 N76 R83	E59-C79 VanDerWaalsContact OE2-CB 3.29Å; E59-C79 WeakPolarHBondContact OE2-CB 3.18Å; E59-C79 PolarHBondContact OE2-SG 2.92Å; N76-C79 HydrophobicContact CB-CB 3.79Å; N76-C79 WeakPolarHBondContact ND2-CB 3.39Å; N76-C79 PolarHBondContact ND2-N 3.35Å; N76-C79 PolarHBondContact OD1-N 2.94Å; C79-R83 WeakPolarHBondContact O-CB 3.47Å; C79-R83 PolarHBondContact O-N 3.47Å; C79-R83 PolarHBondContact SG-NH2 3.31Å; C79-R83 VanDerWaalsContact SG-NH2 3.41Å
80	D	66.6	Low	68.7	Low	56 Å²	56	99.9 Å²	99.9	30%	0.299	48%	0.483	S	S	.	.	H	α-helix	trans	-65.9	-46.3	174.8	-76.9	1.1	0	0	0	110.6	E78 E82 R83 D84	E78-D80 VanDerWaalsContact C-N 3.32Å; D80-E82 PolarHBondContact O-N 3.46Å; D80-R83 PolarHBondContact O-N 2.91Å; D80-D84 WeakPolarHBondContact O-CB 3.44Å; D80-D84 VanDerWaalsContact O-CG 3.24Å; D80-D84 PolarHBondContact O-N 3.3Å
81	A	73.6	Confident	70.6	Confident	62 Å²	62	93.8 Å²	93.8	51%	0.512	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-45.6	178	0	0	0	0	0	112.9	K77 E78 R85	K77-A81 PolarHBondContact O-N 2.92Å; K77-A81 VanDerWaalsContact O-N 3.13Å; E78-A81 PolarHBondContact O-N 2.87Å; A81-R85 VanDerWaalsContact O-CB 3.24Å; A81-R85 WeakPolarHBondContact O-CB 3.27Å; A81-R85 PolarHBondContact O-N 3.4Å
82	E	76.1	Confident	72.9	Confident	88 Å²	88	92 Å²	92	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-70.3	-40.3	178.5	-173.9	59.3	-156.1	0	0	111.6	E78 D80 R85 L86	E78-E82 PolarHBondContact O-N 3.1Å; D80-E82 PolarHBondContact O-N 3.46Å; E82-R85 PolarHBondContact O-N 3.35Å; E82-R85 IonicContact OE2-NH1 3.43Å; E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CB 3.25Å; E82-L86 VanDerWaalsContact O-CG 3.26Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.49Å
83	R	76.5	Confident	75.3	Confident	144 Å²	144	95.6 Å²	95.6	54%	0.543	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-44.4	174.9	-178	-172.3	-58.6	-112.9	-2.2	111.6	C79 D80 R85 L86 R87	C79-R83 WeakPolarHBondContact O-CB 3.47Å; C79-R83 PolarHBondContact O-N 3.47Å; C79-R83 PolarHBondContact SG-NH2 3.31Å; C79-R83 VanDerWaalsContact SG-NH2 3.41Å; D80-R83 PolarHBondContact O-N 2.91Å; R83-R85 VanDerWaalsContact C-N 3.35Å; R83-L86 PolarHBondContact O-N 2.93Å; R83-R87 VanDerWaalsContact O-CB 3.23Å; R83-R87 WeakPolarHBondContact O-CB 3.47Å; R83-R87 PolarHBondContact O-N 3.19Å
84	D	81.8	Confident	77.5	Confident	82 Å²	82	92.6 Å²	92.6	44%	0.439	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-41	177.1	-78.7	-17	0	0	0	110.9	D80 R87 I88	D80-D84 WeakPolarHBondContact O-CB 3.44Å; D80-D84 VanDerWaalsContact O-CG 3.24Å; D80-D84 PolarHBondContact O-N 3.3Å; D84-R87 PolarHBondContact O-N 2.91Å; D84-I88 WeakPolarHBondContact O-CB 3.36Å; D84-I88 WeakPolarHBondContact O-CD1 3.31Å; D84-I88 WeakPolarHBondContact O-CG1 3.42Å; D84-I88 PolarHBondContact O-N 2.77Å
85	R	86.3	Confident	79.6	Confident	144 Å²	144	92.6 Å²	92.6	54%	0.543	44%	0.439	S	S	.	.	H	α-helix	trans	-59.4	-53.1	173.4	-178.1	-170.7	172.7	-172.4	1.6	111.3	A81 E82 R83 R87 I88 D89	A81-R85 VanDerWaalsContact O-CB 3.24Å; A81-R85 WeakPolarHBondContact O-CB 3.27Å; A81-R85 PolarHBondContact O-N 3.4Å; E82-R85 PolarHBondContact O-N 3.35Å; E82-R85 IonicContact OE2-NH1 3.43Å; R83-R85 VanDerWaalsContact C-N 3.35Å; R85-R87 PolarHBondContact O-N 2.87Å; R85-I88 PolarHBondContact O-N 2.95Å; R85-I88 VanDerWaalsContact O-N 3.14Å; R85-D89 IonicContact NE-OD2 3.7Å; R85-D89 WeakPolarHBondContact O-CB 3.41Å; R85-D89 PolarHBondContact O-N 3.36Å
86	L	88.2	Confident	81.7	Confident	97 Å²	97	94.6 Å²	94.6	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-58.6	-39	178	-70.8	172.4	0	0	0	111.6	E82 R83 M90	E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CB 3.25Å; E82-L86 VanDerWaalsContact O-CG 3.26Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.49Å; R83-L86 PolarHBondContact O-N 2.93Å; L86-M90 VanDerWaalsContact O-CB 3.26Å; L86-M90 WeakPolarHBondContact O-CB 3.3Å; L86-M90 PolarHBondContact O-N 3.41Å
87	R	87.8	Confident	83.9	Confident	164 Å²	164	99 Å²	99	62%	0.619	48%	0.478	S	S	*	.	H	α-helix	trans	-64.3	-45.8	175.5	-177.6	-179.6	-177.3	165.5	2.5	111.9	R83 D84 R85 I91	R83-R87 VanDerWaalsContact O-CB 3.23Å; R83-R87 WeakPolarHBondContact O-CB 3.47Å; R83-R87 PolarHBondContact O-N 3.19Å; D84-R87 PolarHBondContact O-N 2.91Å; R85-R87 PolarHBondContact O-N 2.87Å; R87-I91 HydrophobicContact CG-CD1 4.06Å; R87-I91 WeakPolarHBondContact O-CD1 3.37Å; R87-I91 VanDerWaalsContact O-CG1 3.25Å; R87-I91 WeakPolarHBondContact O-CG1 3.39Å; R87-I91 PolarHBondContact O-N 3.5Å
88	I	91.9	Very high	86	Confident	92 Å²	92	99.8 Å²	99.8	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-45.2	178.1	-71.6	164.8	0	0	0	110.4	D84 R85 M90 I91 N92	D84-I88 WeakPolarHBondContact O-CB 3.36Å; D84-I88 WeakPolarHBondContact O-CD1 3.31Å; D84-I88 WeakPolarHBondContact O-CG1 3.42Å; D84-I88 PolarHBondContact O-N 2.77Å; R85-I88 PolarHBondContact O-N 2.95Å; R85-I88 VanDerWaalsContact O-N 3.14Å; I88-M90 VanDerWaalsContact C-N 3.35Å; I88-M90 PolarHBondContact O-N 3.38Å; I88-I91 PolarHBondContact O-N 2.97Å; I88-N92 WeakPolarHBondContact CG2-ND2 3.36Å; I88-N92 WeakPolarHBondContact O-CB 3.41Å; I88-N92 VanDerWaalsContact O-CG 3.24Å; I88-N92 PolarHBondContact O-N 3.49Å; I88-N92 PolarHBondContact O-ND2 3.17Å
89	D	96.3	Very high	88.2	Confident	76 Å²	76	97.7 Å²	97.7	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-44.6	178.3	-74.2	-13.8	0	0	0	110.9	R85 N92 Q93	R85-D89 IonicContact NE-OD2 3.7Å; R85-D89 WeakPolarHBondContact O-CB 3.41Å; R85-D89 PolarHBondContact O-N 3.36Å; D89-N92 PolarHBondContact O-N 2.91Å; D89-Q93 WeakPolarHBondContact O-CB 3.33Å; D89-Q93 PolarHBondContact O-N 3.39Å
90	M	95.9	Very high	90.3	Very high	105 Å²	105	99.7 Å²	99.7	52%	0.517	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-46.2	175	-173.6	-172.7	-56.6	0	0	112.1	L86 I88 N92 Q93 F94	L86-M90 VanDerWaalsContact O-CB 3.26Å; L86-M90 WeakPolarHBondContact O-CB 3.3Å; L86-M90 PolarHBondContact O-N 3.41Å; I88-M90 VanDerWaalsContact C-N 3.35Å; I88-M90 PolarHBondContact O-N 3.38Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 2.97Å; M90-Q93 PolarHBondContact O-N 2.82Å; M90-F94 HydrophobicContact CG-CD2 3.88Å; M90-F94 HydrophobicContact CG-CE2 3.56Å; M90-F94 WeakPolarHBondContact O-CD2 3.3Å; M90-F94 PolarHBondContact O-N 3.41Å; M90-F94 HydrophobicContact SD-CE2 4.08Å
91	I	96	Very high	91.8	Very high	72 Å²	72	101.2 Å²	101.2	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.9	-71.1	166.2	0	0	0	110.9	R87 I88 F94 K95	R87-I91 HydrophobicContact CG-CD1 4.06Å; R87-I91 WeakPolarHBondContact O-CD1 3.37Å; R87-I91 VanDerWaalsContact O-CG1 3.25Å; R87-I91 WeakPolarHBondContact O-CG1 3.39Å; R87-I91 PolarHBondContact O-N 3.5Å; I88-I91 PolarHBondContact O-N 2.97Å; I91-F94 PolarHBondContact O-N 3.01Å; I91-K95 HydrophobicContact CG2-CD 4.08Å; I91-K95 HydrophobicContact CG2-CG 4.49Å; I91-K95 WeakPolarHBondContact O-CB 3.33Å; I91-K95 VanDerWaalsContact O-CG 3.31Å; I91-K95 WeakPolarHBondContact O-CG 3.23Å; I91-K95 PolarHBondContact O-N 3.38Å
92	N	96.7	Very high	93	Very high	78 Å²	78	103.2 Å²	103.2	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-38.2	178.8	-72.4	-25.5	0	0	0	111.8	I88 D89 M90 K95 A96	I88-N92 WeakPolarHBondContact CG2-ND2 3.36Å; I88-N92 WeakPolarHBondContact O-CB 3.41Å; I88-N92 VanDerWaalsContact O-CG 3.24Å; I88-N92 PolarHBondContact O-N 3.49Å; I88-N92 PolarHBondContact O-ND2 3.17Å; D89-N92 PolarHBondContact O-N 2.91Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 2.97Å; N92-K95 PolarHBondContact O-N 3.46Å; N92-A96 WeakPolarHBondContact O-CB 3.46Å; N92-A96 PolarHBondContact O-N 2.94Å
93	Q	97.5	Very high	94	Very high	132 Å²	132	105.9 Å²	105.9	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-60.9	-49.9	173.3	-176	179	1	0	0	111.2	D89 M90 K95 A96 E97	D89-Q93 WeakPolarHBondContact O-CB 3.33Å; D89-Q93 PolarHBondContact O-N 3.39Å; M90-Q93 PolarHBondContact O-N 2.82Å; Q93-K95 VanDerWaalsContact C-N 3.33Å; Q93-K95 PolarHBondContact O-N 2.98Å; Q93-A96 PolarHBondContact O-N 2.87Å; Q93-E97 WeakPolarHBondContact O-CB 3.31Å; Q93-E97 PolarHBondContact O-N 3.34Å
94	F	97.4	Very high	95.1	Very high	127 Å²	127	103.1 Å²	103.1	56%	0.557	50%	0.499	S	S	*	.	H	α-helix	trans	-60.4	-40.8	177.2	-79.3	-60.2	0	0	0	112.5	M90 I91 E97 L98	M90-F94 HydrophobicContact CG-CD2 3.88Å; M90-F94 HydrophobicContact CG-CE2 3.56Å; M90-F94 WeakPolarHBondContact O-CD2 3.3Å; M90-F94 PolarHBondContact O-N 3.41Å; M90-F94 HydrophobicContact SD-CE2 4.08Å; I91-F94 PolarHBondContact O-N 3.01Å; F94-E97 PolarHBondContact O-N 2.9Å; F94-L98 WeakPolarHBondContact O-CB 2.93Å; F94-L98 PolarHBondContact O-N 3.5Å
95	K	97.7	Very high	95.9	Very high	131 Å²	131	104.6 Å²	104.6	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-62.5	-43.9	174.9	-75.6	174	179.8	175.5	0	111.9	I91 N92 Q93 L98 E99	I91-K95 HydrophobicContact CG2-CD 4.08Å; I91-K95 HydrophobicContact CG2-CG 4.49Å; I91-K95 WeakPolarHBondContact O-CB 3.33Å; I91-K95 VanDerWaalsContact O-CG 3.31Å; I91-K95 WeakPolarHBondContact O-CG 3.23Å; I91-K95 PolarHBondContact O-N 3.38Å; N92-K95 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.33Å; Q93-K95 PolarHBondContact O-N 2.98Å; K95-L98 PolarHBondContact O-N 3.48Å; K95-E99 WeakPolarHBondContact O-CB 3.42Å; K95-E99 PolarHBondContact O-N 2.87Å
96	A	97.9	Very high	96.4	Very high	59 Å²	59	102.1 Å²	102.1	49%	0.488	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-41.9	178.9	0	0	0	0	0	111.7	N92 Q93 E99 S100	N92-A96 WeakPolarHBondContact O-CB 3.46Å; N92-A96 PolarHBondContact O-N 2.94Å; Q93-A96 PolarHBondContact O-N 2.87Å; A96-E99 PolarHBondContact O-N 3.4Å; A96-S100 WeakPolarHBondContact O-CB 3.49Å; A96-S100 PolarHBondContact O-N 2.82Å
97	E	97.8	Very high	96.9	Very high	114 Å²	114	104.1 Å²	104.1	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-43.8	176.8	-173.9	173.7	-172.3	0	0	112.1	Q93 F94 E99 S100 T101	Q93-E97 WeakPolarHBondContact O-CB 3.31Å; Q93-E97 PolarHBondContact O-N 3.34Å; F94-E97 PolarHBondContact O-N 2.9Å; E97-E99 PolarHBondContact O-N 3.43Å; E97-S100 PolarHBondContact O-N 3.29Å; E97-T101 WeakPolarHBondContact O-CB 3.37Å; E97-T101 PolarHBondContact O-N 3.12Å; E97-T101 PolarHBondContact O-OG1 2.89Å
98	L	98.1	Very high	97.4	Very high	121 Å²	121	101.4 Å²	101.4	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-60.4	-46.6	175.3	-178.1	64	0	0	0	111.3	F94 K95 S100 T101 K102	F94-L98 WeakPolarHBondContact O-CB 2.93Å; F94-L98 PolarHBondContact O-N 3.5Å; K95-L98 PolarHBondContact O-N 3.48Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.93Å; L98-T101 PolarHBondContact O-N 3.44Å; L98-K102 VanDerWaalsContact O-CB 3.32Å; L98-K102 WeakPolarHBondContact O-CB 3.28Å; L98-K102 PolarHBondContact O-N 2.97Å
99	E	97.9	Very high	97.7	Very high	81 Å²	81	104.6 Å²	104.6	38%	0.379	51%	0.51	S	S	.	.	H	α-helix	trans	-69.3	-30	179.8	-156.9	63.3	-157.5	0	0	112.2	K95 A96 E97 K102 R103	K95-E99 WeakPolarHBondContact O-CB 3.42Å; K95-E99 PolarHBondContact O-N 2.87Å; A96-E99 PolarHBondContact O-N 3.4Å; E97-E99 PolarHBondContact O-N 3.43Å; E99-K102 IonicContact OE1-NZ 3.82Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; E99-R103 WeakPolarHBondContact O-CB 3.36Å; E99-R103 VanDerWaalsContact O-CG 3.29Å; E99-R103 WeakPolarHBondContact O-CG 3.5Å; E99-R103 PolarHBondContact O-N 3.34Å; E99-R103 VanDerWaalsContact O-N 3.14Å; E99-R103 PolarHBondContact O-NE 3.4Å
100	S	98.3	Very high	97.8	Very high	69 Å²	69	103.8 Å²	103.8	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-68.1	-47.5	171.7	-169.4	0	0	0	0	111.1	A96 E97 L98 K102 R103 E104	A96-S100 WeakPolarHBondContact O-CB 3.49Å; A96-S100 PolarHBondContact O-N 2.82Å; E97-S100 PolarHBondContact O-N 3.29Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.93Å; S100-K102 VanDerWaalsContact C-N 3.34Å; S100-K102 PolarHBondContact O-N 3.46Å; S100-R103 PolarHBondContact O-N 3.25Å; S100-E104 PolarHBondContact O-N 3.31Å
101	T	97.9	Very high	98	Very high	88 Å²	88	103.3 Å²	103.3	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-44.3	-179.8	-58.9	0	0	0	0	110.9	E97 L98 E104 L105	E97-T101 WeakPolarHBondContact O-CB 3.37Å; E97-T101 PolarHBondContact O-N 3.12Å; E97-T101 PolarHBondContact O-OG1 2.89Å; L98-T101 PolarHBondContact O-N 3.44Å; T101-E104 PolarHBondContact O-N 3.27Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 PolarHBondContact O-N 3.22Å
102	K	98.4	Very high	98.1	Very high	104 Å²	104	106 Å²	106	45%	0.452	52%	0.519	S	S	.	.	H	α-helix	trans	-59	-49.7	174.9	179.4	-175	168.2	-161.2	0	111.9	L98 E99 S100 E104 L105 D106	L98-K102 VanDerWaalsContact O-CB 3.32Å; L98-K102 WeakPolarHBondContact O-CB 3.28Å; L98-K102 PolarHBondContact O-N 2.97Å; E99-K102 IonicContact OE1-NZ 3.82Å; E99-K102 PolarHBondContact OE1-NZ 2.92Å; S100-K102 VanDerWaalsContact C-N 3.34Å; S100-K102 PolarHBondContact O-N 3.46Å; K102-E104 VanDerWaalsContact C-N 3.27Å; K102-E104 PolarHBondContact O-N 3.45Å; K102-L105 PolarHBondContact O-N 2.93Å; K102-D106 WeakPolarHBondContact O-CB 3.4Å; K102-D106 PolarHBondContact O-N 3.14Å
103	R	98.3	Very high	98.2	Very high	143 Å²	143	106.1 Å²	106.1	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-59.8	-38.1	178.1	-80.7	-178.2	-82.7	-176.7	-7.1	112.6	E99 S100 K107	E99-R103 WeakPolarHBondContact O-CB 3.36Å; E99-R103 VanDerWaalsContact O-CG 3.29Å; E99-R103 WeakPolarHBondContact O-CG 3.5Å; E99-R103 PolarHBondContact O-N 3.34Å; E99-R103 VanDerWaalsContact O-N 3.14Å; E99-R103 PolarHBondContact O-NE 3.4Å; S100-R103 PolarHBondContact O-N 3.25Å; R103-K107 VanDerWaalsContact O-CG 3.28Å; R103-K107 WeakPolarHBondContact O-CG 3.47Å; R103-K107 PolarHBondContact O-N 2.88Å; R103-K107 VanDerWaalsContact O-N 3.12Å
104	E	98.3	Very high	98.2	Very high	87 Å²	87	106.1 Å²	106.1	41%	0.407	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-44.9	176.7	-177.6	53.6	-151.3	0	0	111.6	S100 T101 K102 D106 K107 Q108	S100-E104 PolarHBondContact O-N 3.31Å; T101-E104 PolarHBondContact O-N 3.27Å; K102-E104 VanDerWaalsContact C-N 3.27Å; K102-E104 PolarHBondContact O-N 3.45Å; E104-D106 PolarHBondContact O-N 2.89Å; E104-K107 WeakPolarHBondContact O-CB 3.29Å; E104-K107 PolarHBondContact O-N 2.87Å; E104-Q108 WeakPolarHBondContact O-CG 3.47Å; E104-Q108 PolarHBondContact O-N 2.92Å; E104-Q108 PolarHBondContact OE1-NE2 3.45Å
105	L	98.4	Very high	98.3	Very high	112 Å²	112	103.6 Å²	103.6	59%	0.586	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-43.1	176.6	-172	65.2	0	0	0	112	T101 K102 K107 Q108 Y109	T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 PolarHBondContact O-N 3.22Å; K102-L105 PolarHBondContact O-N 2.93Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.31Å; L105-Q108 PolarHBondContact O-N 3.44Å; L105-Y109 WeakPolarHBondContact O-CB 3.43Å; L105-Y109 PolarHBondContact O-N 2.99Å
106	D	98.4	Very high	98.3	Very high	92 Å²	92	102.3 Å²	102.3	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-42.4	176.7	-73.5	-23.1	0	0	0	111.5	K102 E104 Y109 A110	K102-D106 WeakPolarHBondContact O-CB 3.4Å; K102-D106 PolarHBondContact O-N 3.14Å; E104-D106 PolarHBondContact O-N 2.89Å; D106-Y109 PolarHBondContact O-N 3.43Å; D106-A110 VanDerWaalsContact O-CB 3.31Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.93Å
107	K	98.4	Very high	98.4	Very high	139 Å²	139	102.9 Å²	102.9	60%	0.604	50%	0.504	S	S	*	.	H	α-helix	trans	-62.8	-46.5	174.9	-76	173.3	-176.6	177.5	0	111.9	R103 E104 L105 Y109 A110 Q111	R103-K107 VanDerWaalsContact O-CG 3.28Å; R103-K107 WeakPolarHBondContact O-CG 3.47Å; R103-K107 PolarHBondContact O-N 2.88Å; R103-K107 VanDerWaalsContact O-N 3.12Å; E104-K107 WeakPolarHBondContact O-CB 3.29Å; E104-K107 PolarHBondContact O-N 2.87Å; L105-K107 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 3.31Å; K107-Y109 VanDerWaalsContact C-N 3.34Å; K107-Y109 PolarHBondContact O-N 3.46Å; K107-A110 PolarHBondContact O-N 3.28Å; K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 3.45Å
108	Q	98.4	Very high	98.4	Very high	107 Å²	107	102 Å²	102	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-43.4	179.1	-72.1	179.5	19.8	0	0	111.3	E104 L105 Q111 K112	E104-Q108 WeakPolarHBondContact O-CG 3.47Å; E104-Q108 PolarHBondContact O-N 2.92Å; E104-Q108 PolarHBondContact OE1-NE2 3.45Å; L105-Q108 PolarHBondContact O-N 3.44Å; Q108-Q111 PolarHBondContact O-N 3.04Å; Q108-K112 VanDerWaalsContact O-CB 3.3Å; Q108-K112 WeakPolarHBondContact O-CB 3.32Å; Q108-K112 PolarHBondContact O-N 3.49Å
109	Y	98.4	Very high	98.4	Very high	159 Å²	159	99.7 Å²	99.7	62%	0.624	49%	0.491	S	S	*	.	H	α-helix	trans	-63	-47.1	177	-175.4	-101.2	0	0	0	111.8	L105 D106 K107 Q111 K112 L113	L105-Y109 WeakPolarHBondContact O-CB 3.43Å; L105-Y109 PolarHBondContact O-N 2.99Å; D106-Y109 PolarHBondContact O-N 3.43Å; K107-Y109 VanDerWaalsContact C-N 3.34Å; K107-Y109 PolarHBondContact O-N 3.46Å; Y109-Q111 VanDerWaalsContact C-N 3.34Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Y109-K112 PolarHBondContact O-N 3.39Å; Y109-L113 WeakPolarHBondContact O-CB 3.38Å; Y109-L113 PolarHBondContact O-N 2.87Å
110	A	98.5	Very high	98.4	Very high	59 Å²	59	101.7 Å²	101.7	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.8	0	0	0	0	0	112.1	D106 K107 K114	D106-A110 VanDerWaalsContact O-CB 3.31Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.93Å; K107-A110 PolarHBondContact O-N 3.28Å; A110-K114 WeakPolarHBondContact O-CB 3.48Å; A110-K114 PolarHBondContact O-N 3.31Å
111	Q	98.5	Very high	98.5	Very high	95 Å²	95	104.6 Å²	104.6	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-42	178.3	-174.1	59.4	57.6	0	0	112	K107 Q108 Y109 K114 N115	K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 PolarHBondContact O-N 3.45Å; Q108-Q111 PolarHBondContact O-N 3.04Å; Y109-Q111 VanDerWaalsContact C-N 3.34Å; Y109-Q111 PolarHBondContact O-N 2.91Å; Q111-K114 PolarHBondContact O-N 3.18Å; Q111-N115 PolarHBondContact NE2-OD1 2.87Å; Q111-N115 VanDerWaalsContact O-CG 3.24Å; Q111-N115 PolarHBondContact O-N 2.91Å; Q111-N115 PolarHBondContact O-OD1 3.44Å
112	K	98.6	Very high	98.5	Very high	128 Å²	128	105.5 Å²	105.5	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-60	-49.8	175.8	-179.9	176.8	174.3	-179.7	0	110.8	Q108 Y109 K114 N115 E116	Q108-K112 VanDerWaalsContact O-CB 3.3Å; Q108-K112 WeakPolarHBondContact O-CB 3.32Å; Q108-K112 PolarHBondContact O-N 3.49Å; Y109-K112 PolarHBondContact O-N 3.39Å; K112-K114 VanDerWaalsContact C-N 3.32Å; K112-K114 PolarHBondContact O-N 3.4Å; K112-N115 PolarHBondContact O-N 2.96Å; K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.28Å
113	L	98.5	Very high	98.5	Very high	82 Å²	82	104.7 Å²	104.7	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-42.6	178.6	-176.6	61.7	0	0	0	111.6	Y109 N115 E116 V117	Y109-L113 WeakPolarHBondContact O-CB 3.38Å; Y109-L113 PolarHBondContact O-N 2.87Å; L113-N115 PolarHBondContact O-N 3.26Å; L113-E116 PolarHBondContact O-N 2.95Å; L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CG2 3.17Å; L113-V117 PolarHBondContact O-N 2.83Å
114	K	98.5	Very high	98.5	Very high	131 Å²	131	103.7 Å²	103.7	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-58.2	-46.1	175.2	-178.9	-179.5	175.8	-177.4	0	112	A110 Q111 K112 V117 Q118	A110-K114 WeakPolarHBondContact O-CB 3.48Å; A110-K114 PolarHBondContact O-N 3.31Å; Q111-K114 PolarHBondContact O-N 3.18Å; K112-K114 VanDerWaalsContact C-N 3.32Å; K112-K114 PolarHBondContact O-N 3.4Å; K114-V117 PolarHBondContact O-N 3.14Å; K114-Q118 WeakPolarHBondContact O-CB 3.44Å; K114-Q118 PolarHBondContact O-N 2.83Å
115	N	98.7	Very high	98.5	Very high	75 Å²	75	109.1 Å²	109.1	40%	0.401	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-40.8	179.7	-68.7	-7.3	0	0	0	112	Q111 K112 L113 Q118 T119	Q111-N115 PolarHBondContact NE2-OD1 2.87Å; Q111-N115 VanDerWaalsContact O-CG 3.24Å; Q111-N115 PolarHBondContact O-N 2.91Å; Q111-N115 PolarHBondContact O-OD1 3.44Å; K112-N115 PolarHBondContact O-N 2.96Å; L113-N115 PolarHBondContact O-N 3.26Å; N115-Q118 PolarHBondContact O-N 3.43Å; N115-T119 WeakPolarHBondContact O-CB 3.41Å; N115-T119 PolarHBondContact O-N 3.01Å; N115-T119 PolarHBondContact O-OG1 2.87Å
116	E	98.6	Very high	98.5	Very high	104 Å²	104	109.4 Å²	109.4	49%	0.486	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-45.5	177.1	-74.3	177.5	-171.2	0	0	111.5	K112 L113 T119 L120	K112-E116 WeakPolarHBondContact CE-OE1 3.35Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.28Å; L113-E116 PolarHBondContact O-N 2.95Å; E116-T119 PolarHBondContact O-N 3.47Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 3.33Å
117	V	98.7	Very high	98.5	Very high	71 Å²	71	109.3 Å²	109.3	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.9	171.1	0	0	0	0	111	L113 K114 T119 L120 M121	L113-V117 HydrophobicContact CD1-CG2 4.41Å; L113-V117 WeakPolarHBondContact O-CG2 3.17Å; L113-V117 PolarHBondContact O-N 2.83Å; K114-V117 PolarHBondContact O-N 3.14Å; V117-T119 PolarHBondContact O-N 3.01Å; V117-L120 PolarHBondContact O-N 3.44Å; V117-M121 HydrophobicContact CG1-CG 4.42Å; V117-M121 HydrophobicContact CG1-SD 4.07Å; V117-M121 VanDerWaalsContact O-CG 3.3Å; V117-M121 WeakPolarHBondContact O-CG 3.25Å; V117-M121 PolarHBondContact O-N 2.91Å
118	Q	98.6	Very high	98.5	Very high	95 Å²	95	105.1 Å²	105.1	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-47.6	177.6	-179.1	178.9	-13.7	0	0	111.5	K114 N115 L120 M121 E122	K114-Q118 WeakPolarHBondContact O-CB 3.44Å; K114-Q118 PolarHBondContact O-N 2.83Å; N115-Q118 PolarHBondContact O-N 3.43Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 2.79Å; Q118-M121 PolarHBondContact O-N 3.31Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.26Å; Q118-E122 PolarHBondContact NE2-OE1 3.46Å; Q118-E122 WeakPolarHBondContact O-CG 3.39Å; Q118-E122 PolarHBondContact O-N 3.1Å
119	T	98.6	Very high	98.4	Very high	73 Å²	73	102.3 Å²	102.3	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-59.4	-43.3	177.8	-56.1	0	0	0	0	110.9	N115 E116 V117 M121 E122 N123	N115-T119 WeakPolarHBondContact O-CB 3.41Å; N115-T119 PolarHBondContact O-N 3.01Å; N115-T119 PolarHBondContact O-OG1 2.87Å; E116-T119 PolarHBondContact O-N 3.47Å; V117-T119 PolarHBondContact O-N 3.01Å; T119-M121 PolarHBondContact O-N 3.25Å; T119-E122 PolarHBondContact O-N 3.34Å; T119-N123 WeakPolarHBondContact O-CB 3.26Å; T119-N123 VanDerWaalsContact O-CG 3.26Å; T119-N123 PolarHBondContact O-N 3.42Å; T119-N123 PolarHBondContact O-ND2 2.86Å
120	L	98.6	Very high	98.3	Very high	123 Å²	123	98.1 Å²	98.1	64%	0.644	49%	0.488	S	S	*	.	H	α-helix	trans	-63.6	-41.4	177.4	-175.6	63.4	0	0	0	111.9	E116 V117 Q118 H124	E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 3.33Å; V117-L120 PolarHBondContact O-N 3.44Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 2.79Å; L120-H124 VanDerWaalsContact O-CB 3.23Å; L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-N 3.13Å
121	M	98.6	Very high	98.3	Very high	129 Å²	129	98.4 Å²	98.4	64%	0.635	48%	0.483	S	S	*	.	H	α-helix	trans	-65	-40.7	176.4	-72.6	179.2	68.9	0	0	112.2	V117 Q118 T119 R125	V117-M121 HydrophobicContact CG1-CG 4.42Å; V117-M121 HydrophobicContact CG1-SD 4.07Å; V117-M121 VanDerWaalsContact O-CG 3.3Å; V117-M121 WeakPolarHBondContact O-CG 3.25Å; V117-M121 PolarHBondContact O-N 2.91Å; Q118-M121 PolarHBondContact O-N 3.31Å; T119-M121 PolarHBondContact O-N 3.25Å; M121-R125 VanDerWaalsContact O-CB 3.31Å; M121-R125 WeakPolarHBondContact O-CB 3.44Å; M121-R125 PolarHBondContact O-N 3.49Å
122	E	98.4	Very high	98.1	Very high	107 Å²	107	102.1 Å²	102.1	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-46.4	177.1	-73.4	173.1	-168.7	0	0	111.5	Q118 T119 R125 F126	Q118-E122 WeakPolarHBondContact CG-OE1 3.26Å; Q118-E122 PolarHBondContact NE2-OE1 3.46Å; Q118-E122 WeakPolarHBondContact O-CG 3.39Å; Q118-E122 PolarHBondContact O-N 3.1Å; T119-E122 PolarHBondContact O-N 3.34Å; E122-R125 PolarHBondContact O-N 3.41Å; E122-F126 PolarHBondContact O-N 3.05Å
123	N	98.6	Very high	98	Very high	87 Å²	87	103.1 Å²	103.1	47%	0.465	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-47.4	174.9	-71.4	-14.8	0	0	0	111.3	T119 R125 F126 D127	T119-N123 WeakPolarHBondContact O-CB 3.26Å; T119-N123 VanDerWaalsContact O-CG 3.26Å; T119-N123 PolarHBondContact O-N 3.42Å; T119-N123 PolarHBondContact O-ND2 2.86Å; N123-R125 VanDerWaalsContact C-N 3.31Å; N123-R125 PolarHBondContact O-N 2.84Å; N123-F126 WeakPolarHBondContact O-CB 3.23Å; N123-F126 PolarHBondContact O-N 3.49Å; N123-F126 VanDerWaalsContact O-N 3.1Å; N123-D127 VanDerWaalsContact O-CG 3.28Å; N123-D127 PolarHBondContact O-N 3.33Å
124	H	98.6	Very high	97.8	Very high	122 Å²	122	101.6 Å²	101.6	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-59.2	-43.4	177.3	-178.8	65.5	0	0	0	111.9	L120 F126 D127 V128	L120-H124 VanDerWaalsContact O-CB 3.23Å; L120-H124 WeakPolarHBondContact O-CB 3.49Å; L120-H124 PolarHBondContact O-N 3.13Å; H124-F126 VanDerWaalsContact C-N 3.33Å; H124-F126 PolarHBondContact O-N 3.5Å; H124-D127 PolarHBondContact O-N 2.81Å; H124-V128 WeakPolarHBondContact O-CB 3.21Å; H124-V128 VanDerWaalsContact O-CG2 3.27Å; H124-V128 WeakPolarHBondContact O-CG2 2.95Å; H124-V128 PolarHBondContact O-N 3.11Å
125	R	98.5	Very high	97.7	Very high	201 Å²	201	100.7 Å²	100.7	76%	0.758	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-43.3	175.4	178.3	179	176.2	-110.2	0.3	111.4	M121 E122 N123 S129	M121-R125 VanDerWaalsContact O-CB 3.31Å; M121-R125 WeakPolarHBondContact O-CB 3.44Å; M121-R125 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 3.41Å; N123-R125 VanDerWaalsContact C-N 3.31Å; N123-R125 PolarHBondContact O-N 2.84Å; R125-S129 WeakPolarHBondContact O-CB 3.18Å; R125-S129 PolarHBondContact O-N 3.46Å
126	F	98.2	Very high	97.7	Very high	119 Å²	119	102 Å²	102	52%	0.522	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-49.1	176.6	178.5	-96.6	0	0	0	111.2	E122 N123 H124 V128 S129 Q130	E122-F126 PolarHBondContact O-N 3.05Å; N123-F126 WeakPolarHBondContact O-CB 3.23Å; N123-F126 PolarHBondContact O-N 3.49Å; N123-F126 VanDerWaalsContact O-N 3.1Å; H124-F126 VanDerWaalsContact C-N 3.33Å; H124-F126 PolarHBondContact O-N 3.5Å; F126-V128 PolarHBondContact O-N 3.43Å; F126-S129 WeakPolarHBondContact O-CA 3.24Å; F126-S129 WeakPolarHBondContact O-CB 3.49Å; F126-S129 PolarHBondContact O-N 3Å; F126-S129 PolarHBondContact O-OG 3.2Å; F126-Q130 HydrophobicContact CD1-CG 4.16Å; F126-Q130 HydrophobicContact CE1-CG 3.73Å; F126-Q130 HydrophobicContact CE2-CG 4.33Å; F126-Q130 HydrophobicContact CZ-CG 3.83Å; F126-Q130 VanDerWaalsContact CZ-NE2 3.32Å; F126-Q130 PolarHBondContact O-N 3Å
127	D	97.9	Very high	97.6	Very high	90 Å²	90	97.2 Å²	97.2	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-42.8	179.9	-67.7	-19.7	0	0	0	112	N123 H124 S129 Q130 T131	N123-D127 VanDerWaalsContact O-CG 3.28Å; N123-D127 PolarHBondContact O-N 3.33Å; H124-D127 PolarHBondContact O-N 2.81Å; D127-S129 VanDerWaalsContact C-N 3.29Å; D127-S129 PolarHBondContact O-N 2.91Å; D127-Q130 PolarHBondContact O-N 3.22Å; D127-T131 VanDerWaalsContact O-CB 3.25Å; D127-T131 WeakPolarHBondContact O-CB 3.29Å; D127-T131 PolarHBondContact O-N 2.8Å; D127-T131 PolarHBondContact O-OG1 3.32Å
128	V	98.2	Very high	97.4	Very high	50 Å²	50	97 Å²	97	30%	0.303	47%	0.474	S	S	.	.	H	α-helix	trans	-61.7	-39.6	173.6	170.7	0	0	0	0	110.9	H124 F126 T131 K132	H124-V128 WeakPolarHBondContact O-CB 3.21Å; H124-V128 VanDerWaalsContact O-CG2 3.27Å; H124-V128 WeakPolarHBondContact O-CG2 2.95Å; H124-V128 PolarHBondContact O-N 3.11Å; F126-V128 PolarHBondContact O-N 3.43Å; V128-T131 PolarHBondContact O-N 3.38Å; V128-K132 HydrophobicContact CG1-CD 4.29Å; V128-K132 WeakPolarHBondContact O-CG 2.83Å; V128-K132 PolarHBondContact O-N 3.19Å
129	S	97.5	Very high	97.3	Very high	49 Å²	49	97.4 Å²	97.4	34%	0.343	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-39.3	178.2	81.4	0	0	0	0	112.6	R125 F126 D127	R125-S129 WeakPolarHBondContact O-CB 3.18Å; R125-S129 PolarHBondContact O-N 3.46Å; F126-S129 WeakPolarHBondContact O-CA 3.24Å; F126-S129 WeakPolarHBondContact O-CB 3.49Å; F126-S129 PolarHBondContact O-N 3Å; F126-S129 PolarHBondContact O-OG 3.2Å; D127-S129 VanDerWaalsContact C-N 3.29Å; D127-S129 PolarHBondContact O-N 2.91Å
130	Q	96.7	Very high	97.2	Very high	71 Å²	71	96.8 Å²	96.8	33%	0.332	47%	0.472	S	S	.	.	H	α-helix	trans	-69.3	-41	174	-61.1	-53.9	-30.1	0	0	110.6	F126 D127 K132 K133	F126-Q130 HydrophobicContact CD1-CG 4.16Å; F126-Q130 HydrophobicContact CE1-CG 3.73Å; F126-Q130 HydrophobicContact CE2-CG 4.33Å; F126-Q130 HydrophobicContact CZ-CG 3.83Å; F126-Q130 VanDerWaalsContact CZ-NE2 3.32Å; F126-Q130 PolarHBondContact O-N 3Å; D127-Q130 PolarHBondContact O-N 3.22Å; Q130-K132 PolarHBondContact O-N 2.99Å; Q130-K133 WeakPolarHBondContact O-CB 3.41Å; Q130-K133 PolarHBondContact O-N 3.47Å
131	T	96.6	Very high	97.1	Very high	64 Å²	64	92.9 Å²	92.9	39%	0.393	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-37.3	178.3	-59.7	0	0	0	0	111.7	D127 V128 K133 T134 W136	D127-T131 VanDerWaalsContact O-CB 3.25Å; D127-T131 WeakPolarHBondContact O-CB 3.29Å; D127-T131 PolarHBondContact O-N 2.8Å; D127-T131 PolarHBondContact O-OG1 3.32Å; V128-T131 PolarHBondContact O-N 3.38Å; T131-K133 PolarHBondContact O-N 3.37Å; T131-T134 PolarHBondContact O-N 2.97Å; T131-T134 PolarHBondContact O-OG1 3.25Å; T131-W136 HydrophobicContact CG2-CZ2 3.62Å; T131-W136 PolarHBondContact O-NE1 3.15Å
132	K	95.9	Very high	97.1	Very high	173 Å²	173	91.5 Å²	91.5	75%	0.752	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.2	177.2	-75.1	175.1	178.8	-178.6	0	114.8	V128 Q130	V128-K132 HydrophobicContact CG1-CD 4.29Å; V128-K132 WeakPolarHBondContact O-CG 2.83Å; V128-K132 PolarHBondContact O-N 3.19Å; Q130-K132 PolarHBondContact O-N 2.99Å
133	K	96	Very high	97	Very high	150 Å²	150	92.4 Å²	92.4	65%	0.652	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.7	-179.8	-64.2	175.5	-172.8	169.5	0	113.3	Q130 T131	Q130-K133 WeakPolarHBondContact O-CB 3.41Å; Q130-K133 PolarHBondContact O-N 3.47Å; T131-K133 PolarHBondContact O-N 3.37Å
134	T	95	Very high	96.9	Very high	50 Å²	50	88.9 Å²	88.9	31%	0.307	44%	0.444	S	S	.	.	S	Bend	trans	-108.1	155	-176.6	49	0	0	0	0	111	T131 W136	T131-T134 PolarHBondContact O-N 2.97Å; T131-T134 PolarHBondContact O-OG1 3.25Å; T134-W136 VanDerWaalsContact O-CD1 3.29Å; T134-W136 PolarHBondContact O-NE1 3.36Å; T134-W136 WeakPolarHBondContact OG1-CZ2 3.06Å; T134-W136 PolarHBondContact OG1-NE1 3.37Å
135	Q	95.6	Very high	96.7	Very high	111 Å²	111	88.7 Å²	88.7	52%	0.519	45%	0.446	S	S	.	.			trans	-88.6	143.7	169.5	-64.2	-166.7	0	0	0	110.1	A144 S153	Q135-A144 HydrophobicContact CB-CB 4.27Å; Q135-A144 PolarHBondContact O-N 3.44Å; Q135-S153 PolarHBondContact OE1-OG 3.02Å
136	W	97.5	Very high	96.3	Very high	102 Å²	102	82.1 Å²	82.1	39%	0.386	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-120.4	141.7	-172.5	-59.7	96.9	0	0	0	112.2	T131 T134 S138 G141	T131-W136 HydrophobicContact CG2-CZ2 3.62Å; T131-W136 PolarHBondContact O-NE1 3.15Å; T134-W136 VanDerWaalsContact O-CD1 3.29Å; T134-W136 PolarHBondContact O-NE1 3.36Å; T134-W136 WeakPolarHBondContact OG1-CZ2 3.06Å; T134-W136 PolarHBondContact OG1-NE1 3.37Å; W136-S138 PolarHBondContact O-N 2.91Å; W136-G141 WeakPolarHBondContact CZ3-O 3.34Å
137	C	97.2	Very high	96.1	Very high	4 Å²	4	80.2 Å²	80.2	3%	0.027	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-65.5	118.6	177.6	179.8	0	0	0	0	109.5	K139 C140 G141 N142 S153 C155	C137-K139 PolarHBondContact O-N 3.15Å; C137-C140 PolarHBondContact O-N 3.44Å; C137-G141 WeakPolarHBondContact O-CA 3.41Å; C137-G141 PolarHBondContact O-N 3.26Å; C137-N142 WeakPolarHBondContact CB-O 3.09Å; C137-N142 PolarHBondContact N-O 2.85Å; C137-S153 CarbonylContact C-O 3.52Å; C137-S153 VanDerWaalsContact CA-O 3.3Å; C137-S153 WeakPolarHBondContact CA-O 3.29Å; C137-C155 HydrophobicContact CB-CB 3.93Å; C137-C155 PolarHBondContact SG-N 3.01Å; C137-C155 VanDerWaalsContact SG-N 3.39Å; C137-C155 VanDerWaalsContact SG-SG 3.6Å
138	S	95	Very high	95.7	Very high	68 Å²	68	76.1 Å²	76.1	48%	0.476	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.2	180	-53.8	0	0	0	0	113.9	W136 T152 S153	W136-S138 PolarHBondContact O-N 2.91Å; S138-T152 WeakPolarHBondContact OG-CA 3.29Å; S138-S153 PolarHBondContact N-O 3.29Å; S138-S153 PolarHBondContact OG-N 3.37Å; S138-S153 PolarHBondContact OG-O 3.39Å
139	K	95.4	Very high	95.4	Very high	102 Å²	102	74.2 Å²	74.2	44%	0.443	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-51.9	177.7	178.7	61.5	-178.7	-174.7	0	113.1	C137 C159 E162	C137-K139 PolarHBondContact O-N 3.15Å; K139-C159 HydrophobicContact CB-CB 3.88Å; K139-C159 HydrophobicContact CG-CB 4.08Å; K139-E162 HydrophobicContact CD-CB 4.43Å; K139-E162 WeakPolarHBondContact CE-OE2 3.38Å
140	C	96.9	Very high	95.1	Very high	60 Å²	60	80.7 Å²	80.7	41%	0.405	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-7.5	-171.8	66.5	0	0	0	0	114.6	C137 N142 C155	C137-C140 PolarHBondContact O-N 3.44Å; C140-N142 PolarHBondContact O-N 2.63Å; C140-C155 PolarHBondContact SG-SG 3.04Å
141	G	96.7	Very high	94.9	Very high	41 Å²	41	84.2 Å²	84.2	42%	0.423	42%	0.419	S	S	.	.			trans	73.9	4	-177.8	0	0	0	0	0	115.1	W136 C137	W136-G141 WeakPolarHBondContact CZ3-O 3.34Å; C137-G141 WeakPolarHBondContact O-CA 3.41Å; C137-G141 PolarHBondContact O-N 3.26Å
142	N	97.8	Very high	94.8	Very high	101 Å²	101	82 Å²	82	54%	0.54	41%	0.406	S	S	.	.	S	Bend	trans	-70.6	162.1	168.5	-65.3	-12.2	0	0	0	110.7	C137 C140 A144 C155	C137-N142 WeakPolarHBondContact CB-O 3.09Å; C137-N142 PolarHBondContact N-O 2.85Å; C140-N142 PolarHBondContact O-N 2.63Å; N142-A144 PolarHBondContact O-N 2.84Å; N142-C155 HydrophobicContact CB-CB 4.28Å
143	E	97.3	Very high	94.8	Very high	125 Å²	125	74.1 Å²	74.1	58%	0.584	37%	0.373	S	S	*	.	B	Isolated β-bridge	trans	-53.6	127.6	173.8	-171.2	169.7	-167.2	0	0	111	C155	E143-C155 WeakPolarHBondContact O-CB 3.5Å
144	A	96.7	Very high	94.8	Very high	14 Å²	14	67.1 Å²	67.1	12%	0.116	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-88.4	140	-177.4	0	0	0	0	0	111.5	Q135 N142 S153	Q135-A144 HydrophobicContact CB-CB 4.27Å; Q135-A144 PolarHBondContact O-N 3.44Å; N142-A144 PolarHBondContact O-N 2.84Å; A144-S153 VanDerWaalsContact CB-CB 3.5Å
145	I	94.7	Very high	94.8	Very high	118 Å²	118	65.9 Å²	65.9	61%	0.605	34%	0.335	S	S	*	.			trans	-117.3	-10.1	176.5	63.4	175.1	0	0	0	112.4	Y154 C155	I145-Y154 PolarHBondContact N-O 3.14Å; I145-C155 WeakPolarHBondContact CD1-O 2.9Å; I145-C155 WeakPolarHBondContact CG1-O 3.39Å
146	Y	90.4	Very high	94.7	Very high	63 Å²	63	62.3 Å²	62.3	25%	0.247	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.1	179.5	-56	-64.5	0	0	0	110.9	S153 Y154 P183 F185	Y146-S153 CarbonylContact O-C 3.47Å; Y146-S153 VanDerWaalsContact O-CA 3.3Å; Y146-S153 WeakPolarHBondContact O-CA 3.35Å; Y146-Y154 PolarHBondContact N-O 3.15Å; Y146-Y154 PolarHBondContact O-N 2.9Å; Y146-P183 HydrophobicContact CE1-CB 4.3Å; Y146-F185 HydrophobicContact CD1-CB 4.4Å
147	H	93.3	Very high	94.5	Very high	79 Å²	79	58.7 Å²	58.7	37%	0.366	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.8	176.5	168.1	-111.9	0	0	0	112.2	C149 R173 F185	H147-C149 WeakPolarHBondContact NE2-CA 3.18Å; H147-C149 PolarHBondContact NE2-O 3.29Å; H147-C149 VanDerWaalsContact NE2-O 3.15Å; H147-R173 PolarHBondContact ND1-NH2 3.29Å; H147-R173 PolarHBondContact O-NH1 3.49Å; H147-R173 PolarHBondContact O-NH2 3.3Å; H147-F185 WeakPolarHBondContact O-CD2 3.08Å; H147-F185 WeakPolarHBondContact O-CE2 3.3Å
148	C	89.6	Confident	94.3	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.027	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-52.1	179.2	-168.7	0	0	0	0	114.4	T152 Y154 H167 R173	C148-T152 WeakPolarHBondContact CA-O 3.46Å; C148-T152 HydrophobicContact CB-CG2 3.89Å; C148-T152 VanDerWaalsContact CB-O 3.29Å; C148-T152 WeakPolarHBondContact CB-O 3.49Å; C148-T152 PolarHBondContact N-O 3.26Å; C148-Y154 HydrophobicContact CB-CD2 3.97Å; C148-Y154 HydrophobicContact CB-CE2 3.56Å; C148-H167 PolarHBondContact SG-NE2 2.96Å; C148-R173 WeakPolarHBondContact O-CD 3.43Å; C148-R173 WeakPolarHBondContact O-CG 3.18Å; C148-R173 PolarHBondContact O-NE 3.17Å; C148-R173 PolarHBondContact O-NH1 3.04Å; C148-R173 PolarHBondContact O-NH2 2.73Å
149	C	92.1	Very high	94.4	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-174.3	170.1	64.5	0	0	0	0	108.6	H147 N151 T152 H167 R172	H147-C149 WeakPolarHBondContact NE2-CA 3.18Å; H147-C149 PolarHBondContact NE2-O 3.29Å; H147-C149 VanDerWaalsContact NE2-O 3.15Å; C149-N151 PolarHBondContact O-N 3.11Å; C149-N151 VanDerWaalsContact O-N 3.09Å; C149-T152 PolarHBondContact N-O 3.09Å; C149-T152 PolarHBondContact O-N 2.93Å; C149-T152 VanDerWaalsContact O-O 3.06Å; C149-H167 VanDerWaalsContact SG-CE1 3.55Å; C149-R172 HydrophobicContact CB-CB 4.07Å
150	W	91.3	Very high	94.2	Very high	185 Å²	185	58.8 Å²	58.8	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	122.2	175	179.8	-97	0	0	0	111.7	T152	W150-T152 VanDerWaalsContact C-N 3.28Å; W150-T152 PolarHBondContact O-N 2.99Å
151	N	92.4	Very high	94	Very high	145 Å²	145	58.6 Å²	58.6	78%	0.775	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	30.2	-177.8	-159.5	48.1	0	0	0	114.8	C149	C149-N151 PolarHBondContact O-N 3.11Å; C149-N151 VanDerWaalsContact O-N 3.09Å
152	T	94	Very high	93.8	Very high	17 Å²	17	61 Å²	61	10%	0.104	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	116.9	173.8	-51.4	0	0	0	0	111.2	S138 C148 C149 W150 Y154 H167	S138-T152 WeakPolarHBondContact OG-CA 3.29Å; C148-T152 WeakPolarHBondContact CA-O 3.46Å; C148-T152 HydrophobicContact CB-CG2 3.89Å; C148-T152 VanDerWaalsContact CB-O 3.29Å; C148-T152 WeakPolarHBondContact CB-O 3.49Å; C148-T152 PolarHBondContact N-O 3.26Å; C149-T152 PolarHBondContact N-O 3.09Å; C149-T152 PolarHBondContact O-N 2.93Å; C149-T152 VanDerWaalsContact O-O 3.06Å; W150-T152 VanDerWaalsContact C-N 3.28Å; W150-T152 PolarHBondContact O-N 2.99Å; T152-Y154 HydrophobicContact CG2-CE1 4.44Å; T152-Y154 HydrophobicContact CG2-CE2 3.7Å; T152-Y154 WeakPolarHBondContact CG2-OH 3.18Å; T152-H167 PolarHBondContact OG1-CE1 3.39Å
153	S	95.6	Very high	93.5	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.7	175.2	-62	0	0	0	0	109.6	Q135 C137 S138 A144 Y146	Q135-S153 PolarHBondContact OE1-OG 3.02Å; C137-S153 CarbonylContact C-O 3.52Å; C137-S153 VanDerWaalsContact CA-O 3.3Å; C137-S153 WeakPolarHBondContact CA-O 3.29Å; S138-S153 PolarHBondContact N-O 3.29Å; S138-S153 PolarHBondContact OG-N 3.37Å; S138-S153 PolarHBondContact OG-O 3.39Å; A144-S153 VanDerWaalsContact CB-CB 3.5Å; Y146-S153 CarbonylContact O-C 3.47Å; Y146-S153 VanDerWaalsContact O-CA 3.3Å; Y146-S153 WeakPolarHBondContact O-CA 3.35Å
154	Y	95.4	Very high	93.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.5	-176	-59.4	-74.4	0	0	0	111.9	I145 Y146 C148 T152 C159 Q160 S163	I145-Y154 PolarHBondContact N-O 3.14Å; Y146-Y154 PolarHBondContact N-O 3.15Å; Y146-Y154 PolarHBondContact O-N 2.9Å; C148-Y154 HydrophobicContact CB-CD2 3.97Å; C148-Y154 HydrophobicContact CB-CE2 3.56Å; T152-Y154 HydrophobicContact CG2-CE1 4.44Å; T152-Y154 HydrophobicContact CG2-CE2 3.7Å; T152-Y154 WeakPolarHBondContact CG2-OH 3.18Å; Y154-C159 HydrophobicContact CD1-CB 4.4Å; Y154-Q160 HydrophobicContact CD1-CB 4.2Å; Y154-Q160 HydrophobicContact CD2-CB 3.69Å; Y154-Q160 HydrophobicContact CD2-CG 3.57Å; Y154-Q160 HydrophobicContact CE2-CB 4.05Å; Y154-Q160 HydrophobicContact CE2-CG 3.56Å; Y154-Q160 HydrophobicContact CG-CB 3.75Å; Y154-Q160 HydrophobicContact CG-CG 4.17Å; Y154-S163 WeakPolarHBondContact CE1-OG 3.05Å; Y154-S163 PolarHBondContact OH-OG 3.38Å
155	C	96	Very high	92.7	Very high	25 Å²	25	57.5 Å²	57.5	17%	0.169	28%	0.281	C	S	.	.	S	Bend	trans	-82.6	-18	173.5	66.4	0	0	0	0	113	C137 C140 N142 E143 I145	C137-C155 HydrophobicContact CB-CB 3.93Å; C137-C155 PolarHBondContact SG-N 3.01Å; C137-C155 VanDerWaalsContact SG-N 3.39Å; C137-C155 VanDerWaalsContact SG-SG 3.6Å; C140-C155 PolarHBondContact SG-SG 3.04Å; N142-C155 HydrophobicContact CB-CB 4.28Å; E143-C155 WeakPolarHBondContact O-CB 3.5Å; I145-C155 WeakPolarHBondContact CD1-O 2.9Å; I145-C155 WeakPolarHBondContact CG1-O 3.39Å
156	S	93.7	Very high	92.5	Very high	36 Å²	36	56.5 Å²	56.5	25%	0.252	28%	0.28	S	S	.	.			trans	-156.6	157.8	-179.1	67.3	0	0	0	0	111.8	K158 C159 Q160	S156-K158 PolarHBondContact O-N 2.87Å; S156-C159 PolarHBondContact O-N 3.42Å; S156-C159 WeakPolarHBondContact OG-CB 3.43Å; S156-C159 PolarHBondContact OG-N 3.48Å; S156-C159 PolarHBondContact OG-SG 3.23Å; S156-Q160 PolarHBondContact O-N 3.43Å
157	V	92	Very high	92.5	Very high	25 Å²	25	54.1 Å²	54.1	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-37.7	171.1	178.8	0	0	0	0	110.7	C159 Q160 H161 P183	V157-C159 PolarHBondContact O-N 3.04Å; V157-Q160 WeakPolarHBondContact O-CB 3.5Å; V157-Q160 PolarHBondContact O-N 3.18Å; V157-H161 VanDerWaalsContact CG1-CE1 3.48Å; V157-H161 WeakPolarHBondContact CG1-CE1 2.88Å; V157-H161 WeakPolarHBondContact CG1-NE2 3.43Å; V157-H161 PolarHBondContact O-CD2 3.02Å; V157-H161 PolarHBondContact O-N 3.38Å; V157-P183 HydrophobicContact CG2-CB 3.74Å; V157-P183 HydrophobicContact CG2-CG 3.89Å
158	K	94.8	Very high	92.4	Very high	146 Å²	146	55.9 Å²	55.9	64%	0.635	28%	0.278	S	S	*	.	H	α-helix	trans	-55.6	-51.7	174	-178.3	-179.5	174.3	-179.8	0	111.5	S156 Q160 H161 E162	S156-K158 PolarHBondContact O-N 2.87Å; K158-Q160 VanDerWaalsContact C-N 3.3Å; K158-Q160 PolarHBondContact O-N 2.98Å; K158-H161 PolarHBondContact O-N 3.33Å; K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact CG-OE1 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.91Å
159	C	95.7	Very high	92.4	Very high	14 Å²	14	64.5 Å²	64.5	10%	0.095	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-37.2	177.3	-76.8	0	0	0	0	112.9	K139 Y154 S156 V157 S163	K139-C159 HydrophobicContact CB-CB 3.88Å; K139-C159 HydrophobicContact CG-CB 4.08Å; Y154-C159 HydrophobicContact CD1-CB 4.4Å; S156-C159 PolarHBondContact O-N 3.42Å; S156-C159 WeakPolarHBondContact OG-CB 3.43Å; S156-C159 PolarHBondContact OG-N 3.48Å; S156-C159 PolarHBondContact OG-SG 3.23Å; V157-C159 PolarHBondContact O-N 3.04Å; C159-S163 WeakPolarHBondContact O-CB 3.42Å; C159-S163 PolarHBondContact O-N 3.18Å; C159-S163 PolarHBondContact O-OG 2.93Å
160	Q	91.6	Very high	92.3	Very high	16 Å²	16	69 Å²	69	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-49.4	175.2	-172.9	179.7	-4.6	0	0	110.9	Y154 S156 V157 K158 E162 S163 W164 M178	Y154-Q160 HydrophobicContact CD1-CB 4.2Å; Y154-Q160 HydrophobicContact CD2-CB 3.69Å; Y154-Q160 HydrophobicContact CD2-CG 3.57Å; Y154-Q160 HydrophobicContact CE2-CB 4.05Å; Y154-Q160 HydrophobicContact CE2-CG 3.56Å; Y154-Q160 HydrophobicContact CG-CB 3.75Å; Y154-Q160 HydrophobicContact CG-CG 4.17Å; S156-Q160 PolarHBondContact O-N 3.43Å; V157-Q160 WeakPolarHBondContact O-CB 3.5Å; V157-Q160 PolarHBondContact O-N 3.18Å; K158-Q160 VanDerWaalsContact C-N 3.3Å; K158-Q160 PolarHBondContact O-N 2.98Å; Q160-E162 PolarHBondContact O-N 2.88Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.1Å; Q160-W164 PolarHBondContact O-N 2.92Å; Q160-M178 HydrophobicContact CB-CE 4.47Å; Q160-M178 HydrophobicContact CG-CE 3.52Å
161	H	91.8	Very high	92.3	Very high	57 Å²	57	60.8 Å²	60.8	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-44.6	-179.3	-70.1	-171.9	0	0	0	112.1	V157 K158 S163 W164 M178 V180	V157-H161 VanDerWaalsContact CG1-CE1 3.48Å; V157-H161 WeakPolarHBondContact CG1-CE1 2.88Å; V157-H161 WeakPolarHBondContact CG1-NE2 3.43Å; V157-H161 PolarHBondContact O-CD2 3.02Å; V157-H161 PolarHBondContact O-N 3.38Å; K158-H161 PolarHBondContact O-N 3.33Å; H161-S163 PolarHBondContact O-N 2.94Å; H161-W164 VanDerWaalsContact O-CB 3.29Å; H161-W164 WeakPolarHBondContact O-CB 3.34Å; H161-W164 PolarHBondContact O-N 2.86Å; H161-W164 VanDerWaalsContact O-N 3.15Å; H161-M178 WeakPolarHBondContact CD2-CE 3.32Å; H161-V180 PolarHBondContact CE1-O 2.9Å; H161-V180 VanDerWaalsContact CE1-O 3.22Å
162	E	93.5	Very high	92.1	Very high	91 Å²	91	62.1 Å²	62.1	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-28.3	178.1	-72.3	176.4	-172.2	0	0	113.5	K139 K158 Q160	K139-E162 HydrophobicContact CD-CB 4.43Å; K139-E162 WeakPolarHBondContact CE-OE2 3.38Å; K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact CG-OE1 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.91Å; Q160-E162 PolarHBondContact O-N 2.88Å
163	S	90.6	Very high	91.5	Very high	14 Å²	14	65 Å²	65	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-92	-10.5	177	76.1	0	0	0	0	113.7	Y154 C159 Q160 H161 T165 V166 H167	Y154-S163 WeakPolarHBondContact CE1-OG 3.05Å; Y154-S163 PolarHBondContact OH-OG 3.38Å; C159-S163 WeakPolarHBondContact O-CB 3.42Å; C159-S163 PolarHBondContact O-N 3.18Å; C159-S163 PolarHBondContact O-OG 2.93Å; Q160-S163 PolarHBondContact O-N 3.29Å; Q160-S163 PolarHBondContact O-OG 3.1Å; H161-S163 PolarHBondContact O-N 2.94Å; S163-T165 VanDerWaalsContact C-N 3.28Å; S163-T165 PolarHBondContact O-N 3.05Å; S163-V166 PolarHBondContact O-N 3.36Å; S163-V166 VanDerWaalsContact O-N 3.08Å; S163-H167 PolarHBondContact O-N 3.26Å
164	W	89.6	Confident	90	Very high	63 Å²	63	76 Å²	76	24%	0.239	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-36.5	-167.3	-176.7	-119.9	0	0	0	112.9	Q160 H161 V166 H167 K168 C171 M178	Q160-W164 PolarHBondContact O-N 2.92Å; H161-W164 VanDerWaalsContact O-CB 3.29Å; H161-W164 WeakPolarHBondContact O-CB 3.34Å; H161-W164 PolarHBondContact O-N 2.86Å; H161-W164 VanDerWaalsContact O-N 3.15Å; W164-V166 PolarHBondContact O-N 3.48Å; W164-H167 AromaticContact CE3-CD2 3.98Å; W164-H167 AromaticContact CZ3-CD2 3.74Å; W164-H167 PolarHBondContact O-N 2.73Å; W164-K168 HydrophobicContact CD2-CB 4Å; W164-K168 HydrophobicContact CE3-CB 4.42Å; W164-K168 HydrophobicContact CH2-CB 4.27Å; W164-K168 HydrophobicContact CZ2-CB 3.82Å; W164-K168 VanDerWaalsContact O-CB 3.24Å; W164-K168 WeakPolarHBondContact O-CB 3.41Å; W164-K168 WeakPolarHBondContact O-CG 3.36Å; W164-K168 PolarHBondContact O-N 3.36Å; W164-C171 HydrophobicContact CH2-CB 4.41Å; W164-C171 HydrophobicContact CZ3-CB 4.39Å; W164-M178 HydrophobicContact CB-CE 4.44Å; W164-M178 HydrophobicContact CD2-CE 3.95Å; W164-M178 HydrophobicContact CD2-CG 3.77Å; W164-M178 HydrophobicContact CD2-SD 4.18Å; W164-M178 VanDerWaalsContact CE2-CG 3.44Å; W164-M178 HydrophobicContact CE3-CE 3.9Å; W164-M178 HydrophobicContact CE3-CG 4.27Å; W164-M178 HydrophobicContact CE3-SD 4.09Å; W164-M178 HydrophobicContact CG-CE 4.19Å; W164-M178 HydrophobicContact CG-CG 4.17Å; W164-M178 HydrophobicContact CH2-CG 4.22Å; W164-M178 HydrophobicContact CH2-SD 4.23Å; W164-M178 HydrophobicContact CZ2-CG 3.71Å; W164-M178 HydrophobicContact CZ2-SD 4.32Å; W164-M178 HydrophobicContact CZ3-CE 4.46Å; W164-M178 HydrophobicContact CZ3-CG 4.48Å; W164-M178 HydrophobicContact CZ3-SD 4.12Å
165	T	88.9	Confident	88.3	Confident	90 Å²	90	84.3 Å²	84.3	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-56.5	-33.8	178.9	55.7	0	0	0	0	112.7	S163	S163-T165 VanDerWaalsContact C-N 3.28Å; S163-T165 PolarHBondContact O-N 3.05Å
166	V	90.1	Very high	86.2	Confident	96 Å²	96	91.7 Å²	91.7	58%	0.582	41%	0.413	S	S	*	.	H	α-helix	trans	-87.5	-48.6	177.7	-178.3	0	0	0	0	110.8	S163 W164	S163-V166 PolarHBondContact O-N 3.36Å; S163-V166 VanDerWaalsContact O-N 3.08Å; W164-V166 PolarHBondContact O-N 3.48Å
167	H	90.9	Very high	84.3	Confident	13 Å²	13	94.9 Å²	94.9	6%	0.06	43%	0.433	C	S	.	.	H	α-helix	trans	-70.4	-32.2	-173.4	177.6	60.5	0	0	0	114.1	C148 C149 T152 S163 W164 R169 T170 C171	C148-H167 PolarHBondContact SG-NE2 2.96Å; C149-H167 VanDerWaalsContact SG-CE1 3.55Å; T152-H167 PolarHBondContact OG1-CE1 3.39Å; S163-H167 PolarHBondContact O-N 3.26Å; W164-H167 AromaticContact CE3-CD2 3.98Å; W164-H167 AromaticContact CZ3-CD2 3.74Å; W164-H167 PolarHBondContact O-N 2.73Å; H167-R169 PolarHBondContact O-N 3.1Å; H167-T170 CarbonylContact O-C 3.59Å; H167-T170 PolarHBondContact O-N 3.09Å; H167-T170 PolarHBondContact O-OG1 3.39Å; H167-C171 WeakPolarHBondContact NE2-CB 3.26Å; H167-C171 PolarHBondContact NE2-SG 3.04Å; H167-C171 PolarHBondContact O-N 3.46Å
168	K	90	Very high	82.4	Confident	116 Å²	116	96.3 Å²	96.3	50%	0.504	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.4	-173.6	69.1	-178.8	-177.5	176.3	0	114.4	W164 T170	W164-K168 HydrophobicContact CD2-CB 4Å; W164-K168 HydrophobicContact CE3-CB 4.42Å; W164-K168 HydrophobicContact CH2-CB 4.27Å; W164-K168 HydrophobicContact CZ2-CB 3.82Å; W164-K168 VanDerWaalsContact O-CB 3.24Å; W164-K168 WeakPolarHBondContact O-CB 3.41Å; W164-K168 WeakPolarHBondContact O-CG 3.36Å; W164-K168 PolarHBondContact O-N 3.36Å; K168-T170 VanDerWaalsContact C-N 3.33Å
169	R	89.5	Confident	80.3	Confident	185 Å²	185	95.4 Å²	95.4	70%	0.698	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-25.9	-179.6	-65.6	-173.7	-67.6	-104.3	-1.7	113	H167	H167-R169 PolarHBondContact O-N 3.1Å
170	T	90.4	Very high	78.2	Confident	103 Å²	103	100.1 Å²	100.1	63%	0.632	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-4.6	-175.9	57.9	0	0	0	0	112.9	H167 K168 R172	H167-T170 CarbonylContact O-C 3.59Å; H167-T170 PolarHBondContact O-N 3.09Å; H167-T170 PolarHBondContact O-OG1 3.39Å; K168-T170 VanDerWaalsContact C-N 3.33Å; T170-R172 PolarHBondContact O-N 3.12Å
171	C	91	Very high	76.2	Confident	13 Å²	13	106 Å²	106	9%	0.088	50%	0.497	C	S	.	.			trans	-59	123.3	178.2	-175.7	0	0	0	0	111.5	W164 H167 R173	W164-C171 HydrophobicContact CH2-CB 4.41Å; W164-C171 HydrophobicContact CZ3-CB 4.39Å; H167-C171 WeakPolarHBondContact NE2-CB 3.26Å; H167-C171 PolarHBondContact NE2-SG 3.04Å; H167-C171 PolarHBondContact O-N 3.46Å; C171-R173 VanDerWaalsContact C-N 3.32Å; C171-R173 PolarHBondContact SG-N 3.31Å; C171-R173 VanDerWaalsContact SG-N 3.43Å
172	R	89.3	Confident	74.2	Confident	173 Å²	173	106.9 Å²	106.9	65%	0.653	51%	0.506	S	S	*	.	S	Bend	trans	-78.4	-17.5	178.2	-61	-175	-176.3	-178.1	1.8	112.9	C149 T170 R174	C149-R172 HydrophobicContact CB-CB 4.07Å; T170-R172 PolarHBondContact O-N 3.12Å; R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 3.09Å; R172-R174 VanDerWaalsContact O-N 3.15Å
173	R	80.4	Confident	72.2	Confident	77 Å²	77	104.9 Å²	104.9	29%	0.291	50%	0.501	S	S	.	.			trans	-84.7	75.8	170.5	-63.9	-173.6	-178	145	-1.2	108.4	H147 C148 C171 K175	H147-R173 PolarHBondContact ND1-NH2 3.29Å; H147-R173 PolarHBondContact O-NH1 3.49Å; H147-R173 PolarHBondContact O-NH2 3.3Å; C148-R173 WeakPolarHBondContact O-CD 3.43Å; C148-R173 WeakPolarHBondContact O-CG 3.18Å; C148-R173 PolarHBondContact O-NE 3.17Å; C148-R173 PolarHBondContact O-NH1 3.04Å; C148-R173 PolarHBondContact O-NH2 2.73Å; C171-R173 VanDerWaalsContact C-N 3.32Å; C171-R173 PolarHBondContact SG-N 3.31Å; C171-R173 VanDerWaalsContact SG-N 3.43Å; R173-K175 PolarHBondContact O-N 2.74Å
174	R	65.4	Low	70.5	Confident	242 Å²	242	110.6 Å²	110.6	91%	0.913	52%	0.524	S	S	*	.			trans	-62.3	12.6	179.3	-71	-175.1	174.1	-162.1	-0.6	114.7	R172	R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 3.09Å; R172-R174 VanDerWaalsContact O-N 3.15Å
175	K	58.6	Low	68.7	Low	175 Å²	175	109.8 Å²	109.8	76%	0.761	52%	0.523	S	S	*	.			trans	-108.1	121.1	-172.9	-65.5	-170.3	177.9	-174.7	0	110.2	R173	R173-K175 PolarHBondContact O-N 2.74Å
176	Y	52.6	Low	66.7	Low	180 Å²	180	111.7 Å²	111.7	71%	0.706	53%	0.534	S	S	*	.			trans	86	133.4	163.8	-91.7	-104.3	0	0	0	119.9
177	P	52.6	Low	64.3	Low	104 Å²	104	114.6 Å²	114.6	68%	0.675	55%	0.545	S	S	*	.			trans	-62.8	135.6	163.7	27.7	-31.6	0	0	0	109.2	E179	P177-E179 PolarHBondContact O-N 2.82Å
178	M	53	Low	61.9	Low	55 Å²	55	117.4 Å²	117.4	27%	0.271	57%	0.567	S	S	.	*			trans	-63.1	103.7	177.9	-60.2	-88.1	-84.7	0	0	108.4	Q160 H161 W164	Q160-M178 HydrophobicContact CB-CE 4.47Å; Q160-M178 HydrophobicContact CG-CE 3.52Å; H161-M178 WeakPolarHBondContact CD2-CE 3.32Å; W164-M178 HydrophobicContact CB-CE 4.44Å; W164-M178 HydrophobicContact CD2-CE 3.95Å; W164-M178 HydrophobicContact CD2-CG 3.77Å; W164-M178 HydrophobicContact CD2-SD 4.18Å; W164-M178 VanDerWaalsContact CE2-CG 3.44Å; W164-M178 HydrophobicContact CE3-CE 3.9Å; W164-M178 HydrophobicContact CE3-CG 4.27Å; W164-M178 HydrophobicContact CE3-SD 4.09Å; W164-M178 HydrophobicContact CG-CE 4.19Å; W164-M178 HydrophobicContact CG-CG 4.17Å; W164-M178 HydrophobicContact CH2-CG 4.22Å; W164-M178 HydrophobicContact CH2-SD 4.23Å; W164-M178 HydrophobicContact CZ2-CG 3.71Å; W164-M178 HydrophobicContact CZ2-SD 4.32Å; W164-M178 HydrophobicContact CZ3-CE 4.46Å; W164-M178 HydrophobicContact CZ3-CG 4.48Å; W164-M178 HydrophobicContact CZ3-SD 4.12Å
179	E	50.6	Low	59.6	Low	127 Å²	127	119.3 Å²	119.3	59%	0.593	58%	0.577	S	S	*	*			trans	-67.5	133.5	164.6	-73.7	-177	-171.5	0	0	108.1	P177 N181 T182	P177-E179 PolarHBondContact O-N 2.82Å; E179-N181 PolarHBondContact O-N 3.08Å; E179-T182 PolarHBondContact O-N 2.86Å; E179-T182 PolarHBondContact O-OG1 2.83Å
180	V	52.3	Low	56.8	Low	112 Å²	112	119.1 Å²	119.1	68%	0.679	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-0.9	-159.6	-170	0	0	0	0	114.4	H161	H161-V180 PolarHBondContact CE1-O 2.9Å; H161-V180 VanDerWaalsContact CE1-O 3.22Å
181	N	48.6	Very low	54.1	Low	140 Å²	140	124.8 Å²	124.8	75%	0.749	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.7	19.1	-178.1	-78.8	-54.6	0	0	0	115.6	E179 P183	E179-N181 PolarHBondContact O-N 3.08Å; N181-P183 WeakPolarHBondContact O-CD 3.38Å
182	T	49.9	Very low	52.3	Low	75 Å²	75	130.4 Å²	130.4	46%	0.46	64%	0.641	S	S	.	*			trans	-105.5	102.1	-179.4	48.8	0	0	0	0	112.3	E179 F184	E179-T182 PolarHBondContact O-N 2.86Å; E179-T182 PolarHBondContact O-OG1 2.83Å; T182-F184 PolarHBondContact O-N 2.93Å; T182-F184 VanDerWaalsContact O-N 3.16Å
183	P	52.6	Low	50.4	Low	49 Å²	49	128.2 Å²	128.2	32%	0.318	64%	0.64	S	S	.	*			trans	-63.7	115	162.6	5.1	2.8	0	0	0	108.2	Y146 V157 N181 F185	Y146-P183 HydrophobicContact CE1-CB 4.3Å; V157-P183 HydrophobicContact CG2-CB 3.74Å; V157-P183 HydrophobicContact CG2-CG 3.89Å; N181-P183 WeakPolarHBondContact O-CD 3.38Å; P183-F185 PolarHBondContact O-N 3.17Å
184	F	53.7	Low	48.7	Very low	134 Å²	134	131 Å²	131	59%	0.588	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-5.1	-176	-152.3	-82.5	0	0	0	113.1	T182	T182-F184 PolarHBondContact O-N 2.93Å; T182-F184 VanDerWaalsContact O-N 3.16Å
185	F	53	Low	47.7	Very low	46 Å²	46	124.5 Å²	124.5	20%	0.202	64%	0.644	C	S	.	*	T	Hydrogen-bonded Turn	trans	-124.3	23.9	-161.9	-66.5	-66.4	0	0	0	117.5	Y146 H147 P183 L187	Y146-F185 HydrophobicContact CD1-CB 4.4Å; H147-F185 WeakPolarHBondContact O-CD2 3.08Å; H147-F185 WeakPolarHBondContact O-CE2 3.3Å; P183-F185 PolarHBondContact O-N 3.17Å; F185-L187 PolarHBondContact O-N 3.09Å; F185-L187 VanDerWaalsContact O-N 3.08Å
186	V	45.5	Very low	47	Very low	130 Å²	130	121.3 Å²	121.3	79%	0.788	64%	0.637	S	S	*	*	S	Bend	trans	-64.8	-8.1	162.6	-163.7	0	0	0	0	111.4
187	L	40.5	Very low	46.6	Very low	157 Å²	157	117.4 Å²	117.4	82%	0.822	63%	0.633	S	S	*	*	S	Bend	trans	-117.6	82.6	-179.9	-72	160.2	0	0	0	111	F185	F185-L187 PolarHBondContact O-N 3.09Å; F185-L187 VanDerWaalsContact O-N 3.08Å
188	S	41.4	Very low	46.2	Very low	73 Å²	73	118.4 Å²	118.4	51%	0.51	63%	0.629	S	S	.	*	S	Bend	trans	-179.8	112.5	137.7	69.2	0	0	0	0	112.8
189	H	41.7	Very low	45.7	Very low	155 Å²	155	123.2 Å²	123.2	72%	0.718	66%	0.657	S	S	*	*			trans	74.8	106.1	164.2	-34.4	92.2	0	0	0	115.8	L191	H189-L191 VanDerWaalsContact C-N 3.32Å; H189-L191 HydrophobicContact CB-CB 4.49Å
190	L	28.9	Very low	45.3	Very low	181 Å²	181	122.9 Å²	122.9	95%	0.948	66%	0.662	S	S	*	*			cis	37.7	49.4	16.2	-75	175	0	0	0	114.1
191	L	35.5	Very low	44.7	Very low	223 Å²	223	123.9 Å²	123.9	100%	1.168	66%	0.661	S	S	*	*			trans	-149.6	0	147.2	-78.5	-176.7	0	0	0	108	H189	H189-L191 VanDerWaalsContact C-N 3.32Å; H189-L191 HydrophobicContact CB-CB 4.49Å

Retrieved 191 of 191 residues in 188.9 ms (Link to these results)

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