A0A077Z5C1_TRITR Loading...

Glutaredoxin 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z5C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077Z5C1_TRITR|A0A077Z5C1
MGASLSRKNVDTLIQEQIIHDPVVMYSKSTCIQCTNAKRLLKEMKIPYACYELNQINEGIELFKALKEKTGSSTVPQIFICGRFIGGWLPIAFSLIFECAKIRNRRGPDGCVPV
					

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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	39.7	Very low	72	Confident	245 Å²	245	93.6 Å²	93.6	100%	1.207	55%	0.549	S	S	*	.				0	103.9	0	-75.3	176.9	-98.1	0	0	106.6	A3	M1-A3 PolarHBondContact O-N 3.49Å
2	G	50.5	Low	73.7	Confident	82 Å²	82	91.8 Å²	91.8	85%	0.845	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-67.1	128.2	-179.5	0	0	0	0	0	109.5	S4	G2-S4 PolarHBondContact O-N 2.79Å; G2-S4 VanDerWaalsContact O-N 3.15Å
3	A	57.5	Low	75.1	Confident	90 Å²	90	88.5 Å²	88.5	74%	0.744	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62.1	116.1	173.5	0	0	0	0	0	108.1	M1 L5	M1-A3 PolarHBondContact O-N 3.49Å; A3-L5 PolarHBondContact O-N 3.26Å
4	S	63.3	Low	76.4	Confident	94 Å²	94	82.3 Å²	82.3	66%	0.657	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-63	120.9	169.6	53.4	0	0	0	0	107.9	G2 S6	G2-S4 PolarHBondContact O-N 2.79Å; G2-S4 VanDerWaalsContact O-N 3.15Å; S4-S6 PolarHBondContact O-N 3.17Å
5	L	70.9	Confident	77.4	Confident	47 Å²	47	81.3 Å²	81.3	25%	0.246	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-54.9	126.5	171.9	-87.1	163.2	0	0	0	108.7	A3 N9 V10 E58	A3-L5 PolarHBondContact O-N 3.26Å; L5-N9 HydrophobicContact CD2-CB 3.53Å; L5-V10 HydrophobicContact CB-CG2 3.64Å; L5-E58 HydrophobicContact CB-CG 4.26Å; L5-E58 HydrophobicContact CD1-CB 3.7Å; L5-E58 HydrophobicContact CD1-CG 3.41Å; L5-E58 VanDerWaalsContact CD1-CG 3.41Å; L5-E58 WeakPolarHBondContact CD1-OE1 3.35Å; L5-E58 HydrophobicContact CG-CB 4.46Å; L5-E58 HydrophobicContact CG-CG 3.85Å
6	S	79.3	Confident	78.3	Confident	72 Å²	72	83.6 Å²	83.6	50%	0.503	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-56.6	146.8	170.9	-179.7	0	0	0	0	109.3	S4 K8 N9 V10	S4-S6 PolarHBondContact O-N 3.17Å; S6-K8 PolarHBondContact O-N 3.13Å; S6-K8 VanDerWaalsContact O-N 3.11Å; S6-N9 WeakPolarHBondContact O-CA 3.39Å; S6-N9 WeakPolarHBondContact O-CB 3.17Å; S6-N9 PolarHBondContact O-N 3.45Å; S6-V10 PolarHBondContact O-N 3.3Å
7	R	78.5	Confident	79.1	Confident	88 Å²	88	79.8 Å²	79.8	33%	0.332	45%	0.453	S	S	.	.	H	α-helix	trans	-53.1	-40.2	-174.7	-179.2	54.7	-170.6	-119.3	-7	113.1	N9 V10 D11 A65 E68	R7-N9 VanDerWaalsContact C-N 3.26Å; R7-N9 PolarHBondContact O-N 3.38Å; R7-V10 PolarHBondContact O-N 3.22Å; R7-V10 VanDerWaalsContact O-N 3.15Å; R7-D11 IonicContact CZ-OD1 3.98Å; R7-D11 IonicContact CZ-OD2 2.98Å; R7-D11 IonicContact NE-OD1 3.32Å; R7-D11 PolarHBondContact NE-OD1 3.37Å; R7-D11 VanDerWaalsContact NE-OD1 3.15Å; R7-D11 IonicContact NE-OD2 3.09Å; R7-D11 PolarHBondContact NE-OD2 3.28Å; R7-D11 VanDerWaalsContact NE-OD2 3.08Å; R7-D11 IonicContact NH2-OD1 3.76Å; R7-D11 PolarHBondContact NH2-OD1 3.38Å; R7-D11 IonicContact NH2-OD2 2.66Å; R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å; R7-A65 VanDerWaalsContact CZ-CA 3.49Å; R7-A65 VanDerWaalsContact CZ-CB 3.45Å; R7-E68 IonicContact CZ-OE1 3.08Å; R7-E68 IonicContact CZ-OE2 3.61Å; R7-E68 IonicContact NH1-OE1 3.94Å; R7-E68 PolarHBondContact NH1-OE1 2.91Å; R7-E68 IonicContact NH1-OE2 2.86Å; R7-E68 PolarHBondContact NH1-OE2 3.06Å; R7-E68 IonicContact NH2-OE1 3.88Å; R7-E68 IonicContact NH2-OE2 3.15Å; R7-E68 PolarHBondContact NH2-OE2 3.45Å
8	K	80.1	Confident	79.8	Confident	164 Å²	164	75.4 Å²	75.4	71%	0.713	43%	0.428	S	S	*	.	H	α-helix	trans	-56.3	-40.1	175.8	-67.8	-175.7	177.4	-179	0	112.3	S6 T12	S6-K8 PolarHBondContact O-N 3.13Å; S6-K8 VanDerWaalsContact O-N 3.11Å; K8-T12 PolarHBondContact O-N 3.08Å; K8-T12 VanDerWaalsContact O-N 3.12Å; K8-T12 PolarHBondContact O-OG1 3.36Å; K8-T12 VanDerWaalsContact O-OG1 3.09Å
9	N	89.2	Confident	80.1	Confident	88 Å²	88	75.1 Å²	75.1	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-72.4	-33.5	-178.8	-59.2	2.7	0	0	0	111.6	L5 S6 R7 L13	L5-N9 HydrophobicContact CD2-CB 3.53Å; S6-N9 WeakPolarHBondContact O-CA 3.39Å; S6-N9 WeakPolarHBondContact O-CB 3.17Å; S6-N9 PolarHBondContact O-N 3.45Å; R7-N9 VanDerWaalsContact C-N 3.26Å; R7-N9 PolarHBondContact O-N 3.38Å; N9-L13 VanDerWaalsContact O-CB 3.32Å; N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 PolarHBondContact O-N 3.37Å
10	V	91.3	Very high	80.5	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.018	44%	0.435	C	S	.	.	H	α-helix	trans	-67.9	-45	176.2	-178.7	0	0	0	0	111	L5 S6 R7 T12 L13 I14 E61 L62 A65	L5-V10 HydrophobicContact CB-CG2 3.64Å; S6-V10 PolarHBondContact O-N 3.3Å; R7-V10 PolarHBondContact O-N 3.22Å; R7-V10 VanDerWaalsContact O-N 3.15Å; V10-T12 VanDerWaalsContact C-N 3.35Å; V10-T12 PolarHBondContact O-N 2.06Å; V10-L13 WeakPolarHBondContact O-CB 3.45Å; V10-L13 PolarHBondContact O-N 2.88Å; V10-I14 HydrophobicContact CG1-CD1 4.38Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.34Å; V10-E61 HydrophobicContact CG2-CB 4.08Å; V10-L62 HydrophobicContact CG1-CB 4.4Å; V10-L62 HydrophobicContact CG1-CD1 3.81Å; V10-A65 HydrophobicContact CG1-CB 3.55Å
11	D	91.6	Very high	80.8	Confident	57 Å²	57	76.6 Å²	76.6	31%	0.305	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-40.9	179.2	-67.6	-36.3	0	0	0	111.2	R7 I14 Q15	R7-D11 IonicContact CZ-OD1 3.98Å; R7-D11 IonicContact CZ-OD2 2.98Å; R7-D11 IonicContact NE-OD1 3.32Å; R7-D11 PolarHBondContact NE-OD1 3.37Å; R7-D11 VanDerWaalsContact NE-OD1 3.15Å; R7-D11 IonicContact NE-OD2 3.09Å; R7-D11 PolarHBondContact NE-OD2 3.28Å; R7-D11 VanDerWaalsContact NE-OD2 3.08Å; R7-D11 IonicContact NH2-OD1 3.76Å; R7-D11 PolarHBondContact NH2-OD1 3.38Å; R7-D11 IonicContact NH2-OD2 2.66Å; R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å; D11-I14 PolarHBondContact O-N 2.93Å; D11-Q15 WeakPolarHBondContact O-CG 3.31Å; D11-Q15 PolarHBondContact O-N 3.42Å
12	T	92.1	Very high	82.9	Confident	71 Å²	71	66.3 Å²	66.3	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-46.9	171.8	-64	0	0	0	0	111.6	K8 V10 I14 Q15 E16	K8-T12 PolarHBondContact O-N 3.08Å; K8-T12 VanDerWaalsContact O-N 3.12Å; K8-T12 PolarHBondContact O-OG1 3.36Å; K8-T12 VanDerWaalsContact O-OG1 3.09Å; V10-T12 VanDerWaalsContact C-N 3.35Å; V10-T12 PolarHBondContact O-N 2.06Å; T12-I14 VanDerWaalsContact C-N 3.34Å; T12-I14 PolarHBondContact O-N 3.33Å; T12-Q15 WeakPolarHBondContact O-CB 3.08Å; T12-Q15 PolarHBondContact O-N 3.09Å; T12-E16 HydrophobicContact CG2-CG 4.26Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.11Å; T12-E16 WeakPolarHBondContact O-CG 3.15Å; T12-E16 PolarHBondContact O-N 2.8Å
13	L	92.2	Very high	84.7	Confident	50 Å²	50	62.5 Å²	62.5	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-45.2	177.6	179.3	65.1	0	0	0	111.7	N9 V10 Q15 E16 Q17 L62	N9-L13 VanDerWaalsContact O-CB 3.32Å; N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 PolarHBondContact O-N 3.37Å; V10-L13 WeakPolarHBondContact O-CB 3.45Å; V10-L13 PolarHBondContact O-N 2.88Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.01Å; L13-E16 PolarHBondContact O-N 3.41Å; L13-Q17 HydrophobicContact CD1-CG 4.28Å; L13-Q17 WeakPolarHBondContact O-CB 3.22Å; L13-Q17 WeakPolarHBondContact O-CG 3.32Å; L13-Q17 PolarHBondContact O-N 3.28Å; L13-L62 HydrophobicContact CD2-CD1 4.34Å
14	I	93.4	Very high	86.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-45.4	175.1	-65.8	169.8	0	0	0	110.2	V10 D11 T12 Q17 I18 L62 A65 L66 K69	V10-I14 HydrophobicContact CG1-CD1 4.38Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.34Å; D11-I14 PolarHBondContact O-N 2.93Å; T12-I14 VanDerWaalsContact C-N 3.34Å; T12-I14 PolarHBondContact O-N 3.33Å; I14-Q17 PolarHBondContact O-N 3.4Å; I14-I18 HydrophobicContact CG2-CD1 4.41Å; I14-I18 HydrophobicContact CG2-CG2 4.31Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.21Å; I14-I18 WeakPolarHBondContact O-CG2 3.38Å; I14-I18 PolarHBondContact O-N 2.88Å; I14-L62 HydrophobicContact CD1-CD1 3.81Å; I14-L62 HydrophobicContact CG1-CD1 3.29Å; I14-L62 HydrophobicContact CG1-CG 4.44Å; I14-A65 HydrophobicContact CD1-CB 3.64Å; I14-L66 HydrophobicContact CD1-CD2 3.93Å; I14-L66 HydrophobicContact CD1-CG 3.9Å; I14-L66 HydrophobicContact CG1-CD2 4.29Å; I14-L66 HydrophobicContact CG2-CD2 4.1Å; I14-K69 HydrophobicContact CG2-CD 4.15Å
15	Q	91.9	Very high	87.9	Confident	68 Å²	68	53.7 Å²	53.7	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-47.7	179.6	-70.1	-38.7	-74.6	0	0	112	D11 T12 L13 Q17 I18 I19 K69	D11-Q15 WeakPolarHBondContact O-CG 3.31Å; D11-Q15 PolarHBondContact O-N 3.42Å; T12-Q15 WeakPolarHBondContact O-CB 3.08Å; T12-Q15 PolarHBondContact O-N 3.09Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.01Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.49Å; Q15-I18 WeakPolarHBondContact O-CG1 3.26Å; Q15-I18 PolarHBondContact O-N 3.48Å; Q15-I19 HydrophobicContact CB-CD1 4.5Å; Q15-I19 WeakPolarHBondContact O-CB 3.5Å; Q15-I19 WeakPolarHBondContact O-CD1 3.43Å; Q15-I19 VanDerWaalsContact O-CG1 3.22Å; Q15-I19 WeakPolarHBondContact O-CG1 3.42Å; Q15-I19 PolarHBondContact O-N 3.38Å; Q15-I19 VanDerWaalsContact O-N 3.09Å; Q15-K69 VanDerWaalsContact NE2-CE 3.32Å
16	E	91	Very high	89.1	Confident	118 Å²	118	51.5 Å²	51.5	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-59.4	-45.7	179.4	-71.4	172.3	173.9	0	0	111.1	T12 L13 I19 H20	T12-E16 HydrophobicContact CG2-CG 4.26Å; T12-E16 WeakPolarHBondContact CG2-OE1 3.11Å; T12-E16 WeakPolarHBondContact O-CG 3.15Å; T12-E16 PolarHBondContact O-N 2.8Å; L13-E16 PolarHBondContact O-N 3.41Å; E16-I19 PolarHBondContact O-N 3.44Å; E16-H20 WeakPolarHBondContact O-CB 3.44Å; E16-H20 PolarHBondContact O-N 2.93Å
17	Q	92.5	Very high	90	Very high	18 Å²	18	48 Å²	48	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-50.8	178.9	-69.8	172.8	-14.9	0	0	111.9	L13 I14 Q15 I19 H20 D21 V24 Y26 Y51	L13-Q17 HydrophobicContact CD1-CG 4.28Å; L13-Q17 WeakPolarHBondContact O-CB 3.22Å; L13-Q17 WeakPolarHBondContact O-CG 3.32Å; L13-Q17 PolarHBondContact O-N 3.28Å; I14-Q17 PolarHBondContact O-N 3.4Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 3.49Å; Q17-I19 VanDerWaalsContact C-N 3.3Å; Q17-I19 PolarHBondContact O-N 2.86Å; Q17-H20 PolarHBondContact O-N 3.33Å; Q17-D21 PolarHBondContact O-N 3.16Å; Q17-V24 VanDerWaalsContact O-CG2 3.27Å; Q17-V24 WeakPolarHBondContact O-CG2 3.22Å; Q17-Y26 VanDerWaalsContact OE1-CE1 3.26Å; Q17-Y26 PolarHBondContact OE1-OH 2.96Å; Q17-Y51 HydrophobicContact CB-CE2 3.84Å; Q17-Y51 HydrophobicContact CG-CE1 4.16Å; Q17-Y51 HydrophobicContact CG-CE2 3.84Å; Q17-Y51 WeakPolarHBondContact CG-OH 3.38Å
18	I	90.9	Very high	90.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-74	-17.9	-174.8	70.8	-176.9	0	0	0	114.3	I14 Q15 V24 Y26 F79 G82	I14-I18 HydrophobicContact CG2-CD1 4.41Å; I14-I18 HydrophobicContact CG2-CG2 4.31Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.21Å; I14-I18 WeakPolarHBondContact O-CG2 3.38Å; I14-I18 PolarHBondContact O-N 2.88Å; Q15-I18 WeakPolarHBondContact O-CG1 3.26Å; Q15-I18 PolarHBondContact O-N 3.48Å; I18-V24 HydrophobicContact CG2-CB 4.32Å; I18-V24 HydrophobicContact CG2-CG1 4.34Å; I18-Y26 HydrophobicContact CG2-CE2 4.31Å; I18-F79 HydrophobicContact CB-CB 4.35Å; I18-F79 HydrophobicContact CB-CD1 4.48Å; I18-F79 HydrophobicContact CB-CG 4.47Å; I18-F79 HydrophobicContact CD1-CD1 4.27Å; I18-F79 HydrophobicContact CD1-CE1 4.44Å; I18-F79 HydrophobicContact CG2-CB 3.97Å; I18-F79 HydrophobicContact CG2-CD1 3.95Å; I18-F79 HydrophobicContact CG2-CD2 4.08Å; I18-F79 HydrophobicContact CG2-CE1 4.46Å; I18-F79 HydrophobicContact CG2-CG 3.74Å; I18-G82 PolarHBondContact O-N 3.27Å; I18-G82 VanDerWaalsContact O-N 3.16Å
19	I	86.7	Confident	91.5	Very high	68 Å²	68	41.6 Å²	41.6	35%	0.349	22%	0.215	S	C	.	.	H	α-helix	trans	-87.4	-40.8	175.8	-69	169.1	0	0	0	110.4	Q15 E16 Q17	Q15-I19 HydrophobicContact CB-CD1 4.5Å; Q15-I19 WeakPolarHBondContact O-CB 3.5Å; Q15-I19 WeakPolarHBondContact O-CD1 3.43Å; Q15-I19 VanDerWaalsContact O-CG1 3.22Å; Q15-I19 WeakPolarHBondContact O-CG1 3.42Å; Q15-I19 PolarHBondContact O-N 3.38Å; Q15-I19 VanDerWaalsContact O-N 3.09Å; E16-I19 PolarHBondContact O-N 3.44Å; Q17-I19 VanDerWaalsContact C-N 3.3Å; Q17-I19 PolarHBondContact O-N 2.86Å
20	H	87	Confident	91.7	Very high	139 Å²	139	43.2 Å²	43.2	64%	0.644	23%	0.228	S	C	*	.	H	α-helix	trans	-64.4	-45.3	-177.1	-178.5	-92.8	0	0	0	112.3	E16 Q17	E16-H20 WeakPolarHBondContact O-CB 3.44Å; E16-H20 PolarHBondContact O-N 2.93Å; Q17-H20 PolarHBondContact O-N 3.33Å
21	D	86.4	Confident	91.8	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	24%	0.236	C	C	.	.	S	Bend	trans	-106.4	131.9	-176.5	-76.4	-78.5	0	0	0	112.3	Q17 V23 V24 A49	Q17-D21 PolarHBondContact O-N 3.16Å; D21-V23 PolarHBondContact O-N 2.83Å; D21-V23 VanDerWaalsContact O-N 3.15Å; D21-V24 HydrophobicContact CB-CG2 3.74Å; D21-A49 HydrophobicContact CB-CB 3.85Å
22	P	85.1	Confident	91.9	Very high	28 Å²	28	47.9 Å²	47.9	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-58.9	-30.3	179.2	-28	35.4	0	0	0	114.5	I80 C81 I102 C111	P22-I80 CarbonylContact O-C 3.57Å; P22-I80 VanDerWaalsContact O-CA 3.26Å; P22-I80 WeakPolarHBondContact O-CA 3.33Å; P22-C81 PolarHBondContact O-N 3.21Å; P22-I102 HydrophobicContact CB-CG2 4.09Å; P22-C111 VanDerWaalsContact CA-SG 3.53Å; P22-C111 VanDerWaalsContact CB-SG 3.57Å
23	V	88.4	Confident	91.9	Very high	2 Å²	2	49 Å²	49	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.2	176.4	-176.7	0	0	0	0	107.7	D21 L41 I46 Y48 A49 I78 F79 I80 I102	D21-V23 PolarHBondContact O-N 2.83Å; D21-V23 VanDerWaalsContact O-N 3.15Å; V23-L41 HydrophobicContact CG1-CD2 4.26Å; V23-I46 HydrophobicContact CG2-CG2 3.81Å; V23-Y48 CarbonylContact O-C 3.52Å; V23-Y48 VanDerWaalsContact O-CA 3.26Å; V23-Y48 WeakPolarHBondContact O-CA 3.26Å; V23-A49 PolarHBondContact O-N 3.15Å; V23-I78 HydrophobicContact CG1-CG2 4.25Å; V23-F79 WeakPolarHBondContact CA-O 3.46Å; V23-I80 HydrophobicContact CG2-CG1 4.38Å; V23-I102 HydrophobicContact CG2-CD1 3.9Å
24	V	93.1	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.3	175.2	175.3	0	0	0	0	109.1	Q17 I18 D21 Y26 A49 Y51 I78 F79	Q17-V24 VanDerWaalsContact O-CG2 3.27Å; Q17-V24 WeakPolarHBondContact O-CG2 3.22Å; I18-V24 HydrophobicContact CG2-CB 4.32Å; I18-V24 HydrophobicContact CG2-CG1 4.34Å; D21-V24 HydrophobicContact CB-CG2 3.74Å; V24-Y26 HydrophobicContact CG1-CD2 4.31Å; V24-Y26 HydrophobicContact CG1-CE2 3.81Å; V24-A49 HydrophobicContact CG2-CB 4.34Å; V24-Y51 HydrophobicContact CG1-CD2 3.76Å; V24-Y51 HydrophobicContact CG1-CE2 3.69Å; V24-I78 CarbonylContact O-C 3.56Å; V24-I78 WeakPolarHBondContact O-CA 3.28Å; V24-F79 HydrophobicContact CB-CB 4.36Å; V24-F79 PolarHBondContact N-O 2.98Å; V24-F79 PolarHBondContact O-N 3.27Å
25	M	94.6	Very high	92	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.5	174.4	175.6	174	67.3	0	0	110.7	A37 K38 L41 Y48 A49 C50 Y51 P76 Q77 I78	M25-A37 HydrophobicContact SD-CB 3.74Å; M25-K38 HydrophobicContact CE-CB 4.43Å; M25-K38 HydrophobicContact CE-CD 4.13Å; M25-K38 HydrophobicContact CE-CG 3.24Å; M25-K38 HydrophobicContact SD-CG 4.48Å; M25-L41 HydrophobicContact SD-CD1 4.44Å; M25-Y48 HydrophobicContact CE-CD2 4.05Å; M25-Y48 HydrophobicContact CE-CE2 3.56Å; M25-A49 PolarHBondContact N-O 3.44Å; M25-C50 HydrophobicContact CE-CB 4.29Å; M25-C50 VanDerWaalsContact CE-SG 3.52Å; M25-C50 WeakPolarHBondContact O-CA 3.4Å; M25-Y51 PolarHBondContact O-N 2.92Å; M25-P76 HydrophobicContact CG-CB 4.06Å; M25-P76 HydrophobicContact SD-CB 3.98Å; M25-Q77 WeakPolarHBondContact CA-O 3.41Å; M25-I78 HydrophobicContact CB-CG1 4.16Å; M25-I78 HydrophobicContact CG-CG1 4.03Å; M25-I78 HydrophobicContact SD-CG1 4.34Å
26	Y	96.7	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.3	165.4	-61.6	-80.7	0	0	0	109.4	Q17 I18 V24 Y51 L53 L62 L66 P76 Q77 F79	Q17-Y26 VanDerWaalsContact OE1-CE1 3.26Å; Q17-Y26 PolarHBondContact OE1-OH 2.96Å; I18-Y26 HydrophobicContact CG2-CE2 4.31Å; V24-Y26 HydrophobicContact CG1-CD2 4.31Å; V24-Y26 HydrophobicContact CG1-CE2 3.81Å; Y26-Y51 HydrophobicContact CD1-CD2 4.19Å; Y26-Y51 HydrophobicContact CD1-CG 4.32Å; Y26-Y51 AromaticContact CE1-CD2 3.78Å; Y26-Y51 HydrophobicContact CE1-CD2 3.78Å; Y26-Y51 HydrophobicContact CE1-CG 4.08Å; Y26-L53 HydrophobicContact CD1-CD2 3.87Å; Y26-L62 HydrophobicContact CD1-CD2 4.26Å; Y26-L62 HydrophobicContact CE1-CD2 3.91Å; Y26-L62 HydrophobicContact CE1-CG 4.31Å; Y26-L66 HydrophobicContact CD1-CD1 3.61Å; Y26-L66 HydrophobicContact CD2-CD1 3.66Å; Y26-L66 HydrophobicContact CD2-CD2 3.65Å; Y26-L66 HydrophobicContact CD2-CG 4.32Å; Y26-L66 HydrophobicContact CE1-CD1 4.06Å; Y26-L66 HydrophobicContact CE2-CD1 4.09Å; Y26-L66 HydrophobicContact CE2-CD2 3.49Å; Y26-L66 VanDerWaalsContact CE2-CD2 3.49Å; Y26-L66 HydrophobicContact CE2-CG 4.4Å; Y26-L66 HydrophobicContact CG-CD1 3.38Å; Y26-L66 HydrophobicContact CG-CD2 4.27Å; Y26-L66 HydrophobicContact CG-CG 4.47Å; Y26-P76 CarbonylContact O-C 3.59Å; Y26-P76 VanDerWaalsContact O-CA 3.31Å; Y26-P76 WeakPolarHBondContact O-CA 3.33Å; Y26-Q77 PolarHBondContact N-O 3.25Å; Y26-Q77 PolarHBondContact O-N 2.99Å; Y26-F79 HydrophobicContact CD2-CD2 4.04Å; Y26-F79 AromaticContact CD2-CE2 3.81Å; Y26-F79 HydrophobicContact CD2-CE2 3.81Å; Y26-F79 AromaticContact CE2-CD2 3.9Å; Y26-F79 HydrophobicContact CE2-CD2 3.9Å; Y26-F79 AromaticContact CE2-CE2 3.74Å; Y26-F79 HydrophobicContact CE2-CE2 3.74Å
27	S	96.9	Very high	92.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	168.3	-167.8	167.4	0	0	0	0	110.7	C34 K38 Y51 E52 L53	S27-C34 VanDerWaalsContact OG-CB 3.28Å; S27-C34 WeakPolarHBondContact OG-CB 3.23Å; S27-K38 PolarHBondContact OG-NZ 2.89Å; S27-Y51 PolarHBondContact N-O 2.95Å; S27-E52 VanDerWaalsContact CB-OE2 3.25Å; S27-E52 WeakPolarHBondContact CB-OE2 3.36Å; S27-E52 PolarHBondContact OG-OE1 3.45Å; S27-E52 PolarHBondContact OG-OE2 3.06Å; S27-L53 WeakPolarHBondContact O-CB 3.17Å; S27-L53 PolarHBondContact O-N 3.46Å
28	K	96.3	Very high	92.1	Very high	70 Å²	70	44.8 Å²	44.8	30%	0.304	24%	0.239	S	C	.	.			trans	-125.3	136.1	158.5	-68.7	178.6	-179.2	179	0	108.7	T30 C31 E52 L53 N54 V75	K28-T30 PolarHBondContact O-N 2.91Å; K28-T30 VanDerWaalsContact O-N 3.12Å; K28-C31 HydrophobicContact CB-CB 4.24Å; K28-C31 WeakPolarHBondContact O-CB 3.36Å; K28-C31 PolarHBondContact O-N 3.35Å; K28-E52 WeakPolarHBondContact CA-OE2 3.26Å; K28-E52 PolarHBondContact N-OE2 2.95Å; K28-L53 HydrophobicContact CG-CB 4.4Å; K28-N54 WeakPolarHBondContact CA-OD1 3.41Å; K28-N54 HydrophobicContact CG-CB 4.41Å; K28-V75 HydrophobicContact CB-CG2 4.22Å; K28-V75 HydrophobicContact CD-CG2 4.08Å; K28-V75 HydrophobicContact CG-CG1 4.42Å; K28-V75 HydrophobicContact CG-CG2 4.03Å
29	S	94.1	Very high	92.1	Very high	47 Å²	47	51.5 Å²	51.5	33%	0.329	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	-172.8	68	0	0	0	0	113.5	E52 N54	S29-E52 PolarHBondContact N-OE2 3.15Å; S29-N54 PolarHBondContact N-OD1 2.66Å; S29-N54 PolarHBondContact OG-ND2 2.98Å
30	T	92.8	Very high	92.2	Very high	121 Å²	121	50 Å²	50	74%	0.742	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	2.2	178	56.2	0	0	0	0	114.1	K28	K28-T30 PolarHBondContact O-N 2.91Å; K28-T30 VanDerWaalsContact O-N 3.12Å
31	C	93.9	Very high	92.2	Very high	27 Å²	27	43.3 Å²	43.3	18%	0.182	23%	0.225	C	C	.	.			trans	-94.9	117.3	-174.3	-179.7	0	0	0	0	112.7	K28 Q33 C34 T35 V75	K28-C31 HydrophobicContact CB-CB 4.24Å; K28-C31 WeakPolarHBondContact O-CB 3.36Å; K28-C31 PolarHBondContact O-N 3.35Å; C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.92Å; C31-C34 HydrophobicContact CB-CB 3.9Å; C31-C34 VanDerWaalsContact CB-SG 3.55Å; C31-C34 WeakPolarHBondContact O-CB 3.32Å; C31-C34 PolarHBondContact O-N 3.06Å; C31-C34 VanDerWaalsContact O-N 3.09Å; C31-T35 PolarHBondContact O-N 3.35Å; C31-T35 VanDerWaalsContact O-N 3.1Å; C31-T35 PolarHBondContact O-OG1 3.3Å; C31-V75 HydrophobicContact CB-CG2 4.28Å
32	I	93.3	Very high	92.4	Very high	131 Å²	131	49.2 Å²	49.2	67%	0.672	25%	0.249	S	C	*	.	H	α-helix	trans	-57.7	-41.7	177.4	-64.1	170.4	0	0	0	111.9	C34 T35 N36	I32-C34 VanDerWaalsContact C-N 3.31Å; I32-C34 PolarHBondContact O-N 3.02Å; I32-T35 WeakPolarHBondContact O-CB 3.41Å; I32-T35 PolarHBondContact O-N 3.08Å; I32-N36 PolarHBondContact O-N 3.09Å
33	Q	92.9	Very high	92.5	Very high	95 Å²	95	53.8 Å²	53.8	44%	0.444	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-34.6	178.3	-68	-177.4	-18.9	0	0	112.3	C31 N36 A37 W88	C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.92Å; Q33-N36 PolarHBondContact O-N 3.18Å; Q33-A37 PolarHBondContact O-N 3.32Å; Q33-W88 HydrophobicContact CB-CB 4.08Å; Q33-W88 HydrophobicContact CB-CG 4.38Å
34	C	94.6	Very high	92.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-40.5	173.9	-64.2	0	0	0	0	111.3	S27 C31 I32 N36 A37 K38	S27-C34 VanDerWaalsContact OG-CB 3.28Å; S27-C34 WeakPolarHBondContact OG-CB 3.23Å; C31-C34 HydrophobicContact CB-CB 3.9Å; C31-C34 VanDerWaalsContact CB-SG 3.55Å; C31-C34 WeakPolarHBondContact O-CB 3.32Å; C31-C34 PolarHBondContact O-N 3.06Å; C31-C34 VanDerWaalsContact O-N 3.09Å; I32-C34 VanDerWaalsContact C-N 3.31Å; I32-C34 PolarHBondContact O-N 3.02Å; C34-N36 VanDerWaalsContact C-N 3.32Å; C34-N36 PolarHBondContact O-N 3.44Å; C34-A37 PolarHBondContact O-N 3.39Å; C34-K38 VanDerWaalsContact O-CG 3.31Å; C34-K38 WeakPolarHBondContact O-CG 3.35Å; C34-K38 PolarHBondContact O-N 3.49Å
35	T	94	Very high	92	Very high	77 Å²	77	67.3 Å²	67.3	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.2	-58.8	0	0	0	0	111.7	C31 I32 K38 R39	C31-T35 PolarHBondContact O-N 3.35Å; C31-T35 VanDerWaalsContact O-N 3.1Å; C31-T35 PolarHBondContact O-OG1 3.3Å; I32-T35 WeakPolarHBondContact O-CB 3.41Å; I32-T35 PolarHBondContact O-N 3.08Å; T35-K38 PolarHBondContact O-N 3.23Å; T35-R39 PolarHBondContact O-N 3.06Å
36	N	91.8	Very high	91.5	Very high	46 Å²	46	68.4 Å²	68.4	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-42.3	175.8	-69.4	-19.1	0	0	0	112.1	I32 Q33 C34 R39 L40 W88	I32-N36 PolarHBondContact O-N 3.09Å; Q33-N36 PolarHBondContact O-N 3.18Å; C34-N36 VanDerWaalsContact C-N 3.32Å; C34-N36 PolarHBondContact O-N 3.44Å; N36-R39 PolarHBondContact O-N 2.86Å; N36-L40 PolarHBondContact O-N 2.87Å; N36-W88 HydrophobicContact CB-CD2 4.09Å; N36-W88 HydrophobicContact CB-CE3 4.01Å; N36-W88 HydrophobicContact CB-CH2 3.65Å; N36-W88 HydrophobicContact CB-CZ2 3.7Å; N36-W88 HydrophobicContact CB-CZ3 3.82Å; N36-W88 VanDerWaalsContact O-CZ3 3.28Å; N36-W88 WeakPolarHBondContact O-CZ3 3.35Å
37	A	91.5	Very high	91	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-59	-47.3	175.1	0	0	0	0	0	112.4	M25 Q33 C34 R39 L40 L41 P76 W88 I91	M25-A37 HydrophobicContact SD-CB 3.74Å; Q33-A37 PolarHBondContact O-N 3.32Å; C34-A37 PolarHBondContact O-N 3.39Å; A37-R39 VanDerWaalsContact C-N 3.34Å; A37-R39 PolarHBondContact O-N 3.38Å; A37-L40 PolarHBondContact O-N 2.97Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 2.87Å; A37-P76 HydrophobicContact CB-CB 4.38Å; A37-P76 HydrophobicContact CB-CG 3.98Å; A37-W88 VanDerWaalsContact CA-CZ3 3.45Å; A37-W88 HydrophobicContact CB-CE3 3.84Å; A37-W88 HydrophobicContact CB-CZ3 4.25Å; A37-W88 VanDerWaalsContact N-CZ3 3.29Å; A37-I91 HydrophobicContact CB-CD1 4.22Å
38	K	92.4	Very high	90.7	Very high	43 Å²	43	76.9 Å²	76.9	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-58.9	-44.6	175.1	-69.5	169	-174.2	170.7	0	112.1	M25 S27 C34 T35 L41 K42 Y48 E52	M25-K38 HydrophobicContact CE-CB 4.43Å; M25-K38 HydrophobicContact CE-CD 4.13Å; M25-K38 HydrophobicContact CE-CG 3.24Å; M25-K38 HydrophobicContact SD-CG 4.48Å; S27-K38 PolarHBondContact OG-NZ 2.89Å; C34-K38 VanDerWaalsContact O-CG 3.31Å; C34-K38 WeakPolarHBondContact O-CG 3.35Å; C34-K38 PolarHBondContact O-N 3.49Å; T35-K38 PolarHBondContact O-N 3.23Å; K38-L41 PolarHBondContact O-N 2.84Å; K38-K42 WeakPolarHBondContact O-CB 3.15Å; K38-K42 PolarHBondContact O-N 3.02Å; K38-Y48 WeakPolarHBondContact CB-OH 3.21Å; K38-Y48 HydrophobicContact CG-CE2 4.25Å; K38-Y48 WeakPolarHBondContact CG-OH 3.27Å; K38-E52 VanDerWaalsContact CE-OE1 3.28Å; K38-E52 WeakPolarHBondContact CE-OE1 3.05Å; K38-E52 IonicContact NZ-OE1 2.56Å; K38-E52 PolarHBondContact NZ-OE1 3.25Å; K38-E52 IonicContact NZ-OE2 3.8Å
39	R	91.8	Very high	90.6	Very high	144 Å²	144	74.2 Å²	74.2	54%	0.543	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-47.7	179.1	-173.3	178.8	71.1	-175.3	-0.1	110.7	T35 N36 A37 K42 E43	T35-R39 PolarHBondContact O-N 3.06Å; N36-R39 PolarHBondContact O-N 2.86Å; A37-R39 VanDerWaalsContact C-N 3.34Å; A37-R39 PolarHBondContact O-N 3.38Å; R39-K42 WeakPolarHBondContact O-CB 3.4Å; R39-K42 PolarHBondContact O-N 3.41Å; R39-E43 WeakPolarHBondContact CD-OE1 3.43Å; R39-E43 HydrophobicContact CG-CG 4.36Å; R39-E43 VanDerWaalsContact CG-OE1 3.31Å; R39-E43 WeakPolarHBondContact CG-OE1 3.41Å; R39-E43 IonicContact NE-OE1 3.58Å; R39-E43 WeakPolarHBondContact O-CB 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.48Å; R39-E43 PolarHBondContact O-N 3.35Å
40	L	88.2	Confident	90.7	Very high	35 Å²	35	74.2 Å²	74.2	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-47.9	178.2	-179.3	66.5	0	0	0	111.9	N36 A37 K42 E43 M44 W88 I91 A92 L95	N36-L40 PolarHBondContact O-N 2.87Å; A37-L40 PolarHBondContact O-N 2.97Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 2.95Å; L40-E43 PolarHBondContact O-N 3.39Å; L40-M44 HydrophobicContact CD1-CG 4.13Å; L40-M44 HydrophobicContact CG-CG 4.4Å; L40-M44 WeakPolarHBondContact O-CB 3.37Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 2.9Å; L40-W88 HydrophobicContact CB-CH2 4.3Å; L40-W88 HydrophobicContact CB-CZ3 4.05Å; L40-W88 HydrophobicContact CD2-CH2 4.31Å; L40-W88 HydrophobicContact CD2-CZ3 4.03Å; L40-I91 HydrophobicContact CD2-CG2 3.84Å; L40-A92 HydrophobicContact CD2-CB 4.32Å; L40-L95 HydrophobicContact CD2-CD1 4.17Å
41	L	87.8	Confident	90.9	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.3	-39.8	176.8	-73.1	166.6	0	0	0	111.7	V23 M25 A37 K38 K45 I46 Y48 I91 L95	V23-L41 HydrophobicContact CG1-CD2 4.26Å; M25-L41 HydrophobicContact SD-CD1 4.44Å; A37-L41 WeakPolarHBondContact O-CG 3.41Å; A37-L41 PolarHBondContact O-N 2.87Å; K38-L41 PolarHBondContact O-N 2.84Å; L41-K45 PolarHBondContact O-N 3.05Å; L41-K45 VanDerWaalsContact O-N 3.15Å; L41-I46 HydrophobicContact CD2-CB 4.06Å; L41-I46 HydrophobicContact CD2-CD1 4.25Å; L41-I46 HydrophobicContact CD2-CG2 3.96Å; L41-I46 PolarHBondContact O-N 3.44Å; L41-Y48 HydrophobicContact CB-CD1 3.71Å; L41-Y48 HydrophobicContact CB-CE1 3.69Å; L41-Y48 HydrophobicContact CB-CG 4.49Å; L41-Y48 HydrophobicContact CD1-CD1 3.83Å; L41-Y48 HydrophobicContact CD1-CD2 4Å; L41-Y48 HydrophobicContact CD1-CE1 4.15Å; L41-Y48 HydrophobicContact CD1-CE2 4.29Å; L41-Y48 HydrophobicContact CD1-CG 3.76Å; L41-Y48 HydrophobicContact CG-CD1 4.29Å; L41-I91 HydrophobicContact CD1-CD1 4.4Å; L41-I91 HydrophobicContact CG-CD1 4.4Å; L41-L95 HydrophobicContact CD2-CD1 3.62Å; L41-L95 HydrophobicContact CD2-CD2 3.85Å; L41-L95 HydrophobicContact CD2-CG 4.44Å; L41-L95 HydrophobicContact CG-CD1 4.3Å
42	K	90.2	Very high	91	Very high	167 Å²	167	71.1 Å²	71.1	73%	0.726	34%	0.344	S	S	*	.	H	α-helix	trans	-67.1	-45.5	176.1	-173.9	178.9	-179.5	-179.9	0	112.5	K38 R39 L40 M44 K45	K38-K42 WeakPolarHBondContact O-CB 3.15Å; K38-K42 PolarHBondContact O-N 3.02Å; R39-K42 WeakPolarHBondContact O-CB 3.4Å; R39-K42 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 2.95Å; K42-M44 VanDerWaalsContact C-N 3.28Å; K42-M44 PolarHBondContact O-N 2.89Å; K42-K45 PolarHBondContact O-N 2.81Å
43	E	88	Confident	91.1	Very high	125 Å²	125	65.2 Å²	65.2	58%	0.584	31%	0.313	S	S	*	.	H	α-helix	trans	-59.7	-40.8	176.4	-76	170.2	-176.5	0	0	111.2	R39 L40 K45	R39-E43 WeakPolarHBondContact CD-OE1 3.43Å; R39-E43 HydrophobicContact CG-CG 4.36Å; R39-E43 VanDerWaalsContact CG-OE1 3.31Å; R39-E43 WeakPolarHBondContact CG-OE1 3.41Å; R39-E43 IonicContact NE-OE1 3.58Å; R39-E43 WeakPolarHBondContact O-CB 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.48Å; R39-E43 PolarHBondContact O-N 3.35Å; L40-E43 PolarHBondContact O-N 3.39Å; E43-K45 PolarHBondContact O-N 3.33Å
44	M	83.8	Confident	91.2	Very high	96 Å²	96	64.2 Å²	64.2	47%	0.473	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4	176.9	-63.8	-64.4	-69.7	0	0	113.8	L40 K42 I46	L40-M44 HydrophobicContact CD1-CG 4.13Å; L40-M44 HydrophobicContact CG-CG 4.4Å; L40-M44 WeakPolarHBondContact O-CB 3.37Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 2.9Å; K42-M44 VanDerWaalsContact C-N 3.28Å; K42-M44 PolarHBondContact O-N 2.89Å; M44-I46 HydrophobicContact CB-CD1 3.54Å; M44-I46 HydrophobicContact CB-CG1 3.87Å; M44-I46 HydrophobicContact CG-CD1 4.34Å; M44-I46 PolarHBondContact O-N 3.4Å
45	K	85.7	Confident	91.3	Very high	190 Å²	190	70.5 Å²	70.5	83%	0.826	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.9	-176.3	-54.9	179.9	-178.8	179.1	0	113.2	L41 K42 E43	L41-K45 PolarHBondContact O-N 3.05Å; L41-K45 VanDerWaalsContact O-N 3.15Å; K42-K45 PolarHBondContact O-N 2.81Å; E43-K45 PolarHBondContact O-N 3.33Å
46	I	83.9	Confident	91.1	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.118	33%	0.332	C	S	.	.			trans	-91.6	118.7	177.5	-64	162	0	0	0	107.8	V23 L41 M44 Y48 L95 C99	V23-I46 HydrophobicContact CG2-CG2 3.81Å; L41-I46 HydrophobicContact CD2-CB 4.06Å; L41-I46 HydrophobicContact CD2-CD1 4.25Å; L41-I46 HydrophobicContact CD2-CG2 3.96Å; L41-I46 PolarHBondContact O-N 3.44Å; M44-I46 HydrophobicContact CB-CD1 3.54Å; M44-I46 HydrophobicContact CB-CG1 3.87Å; M44-I46 HydrophobicContact CG-CD1 4.34Å; M44-I46 PolarHBondContact O-N 3.4Å; I46-Y48 WeakPolarHBondContact O-CD1 3.15Å; I46-L95 HydrophobicContact CD1-CD2 4.23Å; I46-C99 HydrophobicContact CD1-CB 4.06Å; I46-C99 VanDerWaalsContact CD1-SG 3.51Å
47	P	87.9	Confident	91	Very high	104 Å²	104	74.7 Å²	74.7	68%	0.675	36%	0.36	S	S	*	.			trans	-67.7	140.5	171.6	28.9	-33.1	0	0	0	110.1
48	Y	90.3	Very high	90.9	Very high	73 Å²	73	77.4 Å²	77.4	29%	0.286	37%	0.372	S	S	.	.			trans	-149.5	149.6	179.1	65.3	-80.2	0	0	0	111.3	V23 M25 K38 L41 I46 C50	V23-Y48 CarbonylContact O-C 3.52Å; V23-Y48 VanDerWaalsContact O-CA 3.26Å; V23-Y48 WeakPolarHBondContact O-CA 3.26Å; M25-Y48 HydrophobicContact CE-CD2 4.05Å; M25-Y48 HydrophobicContact CE-CE2 3.56Å; K38-Y48 WeakPolarHBondContact CB-OH 3.21Å; K38-Y48 HydrophobicContact CG-CE2 4.25Å; K38-Y48 WeakPolarHBondContact CG-OH 3.27Å; L41-Y48 HydrophobicContact CB-CD1 3.71Å; L41-Y48 HydrophobicContact CB-CE1 3.69Å; L41-Y48 HydrophobicContact CB-CG 4.49Å; L41-Y48 HydrophobicContact CD1-CD1 3.83Å; L41-Y48 HydrophobicContact CD1-CD2 4Å; L41-Y48 HydrophobicContact CD1-CE1 4.15Å; L41-Y48 HydrophobicContact CD1-CE2 4.29Å; L41-Y48 HydrophobicContact CD1-CG 3.76Å; L41-Y48 HydrophobicContact CG-CD1 4.29Å; I46-Y48 WeakPolarHBondContact O-CD1 3.15Å; Y48-C50 HydrophobicContact CD2-CB 4.01Å; Y48-C50 HydrophobicContact CE2-CB 3.77Å
49	A	94.4	Very high	90.9	Very high	15 Å²	15	75.4 Å²	75.4	12%	0.124	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.1	164	0	0	0	0	0	109.9	D21 V23 V24 M25 Y51	D21-A49 HydrophobicContact CB-CB 3.85Å; V23-A49 PolarHBondContact O-N 3.15Å; V24-A49 HydrophobicContact CG2-CB 4.34Å; M25-A49 PolarHBondContact N-O 3.44Å; A49-Y51 HydrophobicContact CB-CE2 4.08Å
50	C	95.5	Very high	90.9	Very high	46 Å²	46	74 Å²	74	31%	0.311	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.6	-179.4	-171.8	0	0	0	0	110.4	M25 Y48 E52	M25-C50 HydrophobicContact CE-CB 4.29Å; M25-C50 VanDerWaalsContact CE-SG 3.52Å; M25-C50 WeakPolarHBondContact O-CA 3.4Å; Y48-C50 HydrophobicContact CD2-CB 4.01Å; Y48-C50 HydrophobicContact CE2-CB 3.77Å; C50-E52 PolarHBondContact SG-OE1 2.84Å; C50-E52 VanDerWaalsContact SG-OE1 3.4Å
51	Y	96.5	Very high	91.2	Very high	54 Å²	54	75.2 Å²	75.2	21%	0.212	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	109.2	177.3	-60.9	-77	0	0	0	109.3	Q17 V24 M25 Y26 S27 A49 L53 I56	Q17-Y51 HydrophobicContact CB-CE2 3.84Å; Q17-Y51 HydrophobicContact CG-CE1 4.16Å; Q17-Y51 HydrophobicContact CG-CE2 3.84Å; Q17-Y51 WeakPolarHBondContact CG-OH 3.38Å; V24-Y51 HydrophobicContact CG1-CD2 3.76Å; V24-Y51 HydrophobicContact CG1-CE2 3.69Å; M25-Y51 PolarHBondContact O-N 2.92Å; Y26-Y51 HydrophobicContact CD1-CD2 4.19Å; Y26-Y51 HydrophobicContact CD1-CG 4.32Å; Y26-Y51 AromaticContact CE1-CD2 3.78Å; Y26-Y51 HydrophobicContact CE1-CD2 3.78Å; Y26-Y51 HydrophobicContact CE1-CG 4.08Å; S27-Y51 PolarHBondContact N-O 2.95Å; A49-Y51 HydrophobicContact CB-CE2 4.08Å; Y51-L53 PolarHBondContact O-N 3.32Å; Y51-I56 HydrophobicContact CD1-CD1 4.24Å
52	E	96.8	Very high	91.5	Very high	29 Å²	29	75.3 Å²	75.3	14%	0.136	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	97.2	176.2	-60.1	-59.7	166.4	0	0	109.8	S27 K28 S29 K38 C50 N54 Q55 I56	S27-E52 VanDerWaalsContact CB-OE2 3.25Å; S27-E52 WeakPolarHBondContact CB-OE2 3.36Å; S27-E52 PolarHBondContact OG-OE1 3.45Å; S27-E52 PolarHBondContact OG-OE2 3.06Å; K28-E52 WeakPolarHBondContact CA-OE2 3.26Å; K28-E52 PolarHBondContact N-OE2 2.95Å; S29-E52 PolarHBondContact N-OE2 3.15Å; K38-E52 VanDerWaalsContact CE-OE1 3.28Å; K38-E52 WeakPolarHBondContact CE-OE1 3.05Å; K38-E52 IonicContact NZ-OE1 2.56Å; K38-E52 PolarHBondContact NZ-OE1 3.25Å; K38-E52 IonicContact NZ-OE2 3.8Å; C50-E52 PolarHBondContact SG-OE1 2.84Å; C50-E52 VanDerWaalsContact SG-OE1 3.4Å; E52-N54 PolarHBondContact O-N 3.33Å; E52-Q55 HydrophobicContact CB-CB 3.97Å; E52-Q55 HydrophobicContact CB-CG 3.99Å; E52-Q55 PolarHBondContact O-N 2.86Å; E52-I56 WeakPolarHBondContact O-CG1 3.45Å; E52-I56 PolarHBondContact O-N 3.11Å
53	L	95.9	Very high	91.7	Very high	7 Å²	7	69.4 Å²	69.4	4%	0.037	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.1	-175.4	-63.7	175.4	0	0	0	113.3	Y26 S27 K28 Y51 Q55 G59 L62 F63 L66 V75	Y26-L53 HydrophobicContact CD1-CD2 3.87Å; S27-L53 WeakPolarHBondContact O-CB 3.17Å; S27-L53 PolarHBondContact O-N 3.46Å; K28-L53 HydrophobicContact CG-CB 4.4Å; Y51-L53 PolarHBondContact O-N 3.32Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-G59 VanDerWaalsContact O-CA 3.28Å; L53-G59 WeakPolarHBondContact O-CA 3.38Å; L53-L62 HydrophobicContact CD2-CB 4.1Å; L53-L62 HydrophobicContact CD2-CD2 3.61Å; L53-L62 HydrophobicContact CD2-CG 3.91Å; L53-F63 HydrophobicContact CD1-CB 4.03Å; L53-F63 HydrophobicContact CD1-CD2 3.49Å; L53-F63 VanDerWaalsContact CD1-CD2 3.49Å; L53-F63 HydrophobicContact CD1-CE2 4.32Å; L53-F63 HydrophobicContact CD1-CG 4.09Å; L53-L66 HydrophobicContact CD1-CD1 4.27Å; L53-L66 HydrophobicContact CD2-CD1 4.25Å; L53-V75 HydrophobicContact CD1-CG1 3.97Å
54	N	94.7	Very high	92	Very high	74 Å²	74	69.2 Å²	69.2	40%	0.396	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.5	176.1	67.3	-62.9	0	0	0	113.9	K28 S29 E52	K28-N54 WeakPolarHBondContact CA-OD1 3.41Å; K28-N54 HydrophobicContact CG-CB 4.41Å; S29-N54 PolarHBondContact N-OD1 2.66Å; S29-N54 PolarHBondContact OG-ND2 2.98Å; E52-N54 PolarHBondContact O-N 3.33Å
55	Q	95.3	Very high	92.5	Very high	132 Å²	132	64.6 Å²	64.6	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-0.7	179.9	-59.3	-176.8	-26.6	0	0	112.7	E52 L53	E52-Q55 HydrophobicContact CB-CB 3.97Å; E52-Q55 HydrophobicContact CB-CG 3.99Å; E52-Q55 PolarHBondContact O-N 2.86Å; L53-Q55 VanDerWaalsContact C-N 3.35Å
56	I	91.3	Very high	92.9	Very high	56 Å²	56	55.6 Å²	55.6	29%	0.287	28%	0.281	S	S	.	.	S	Bend	trans	-104.5	135.8	176.3	-61.1	163.6	0	0	0	107.8	Y51 E52 E58 G59	Y51-I56 HydrophobicContact CD1-CD1 4.24Å; E52-I56 WeakPolarHBondContact O-CG1 3.45Å; E52-I56 PolarHBondContact O-N 3.11Å; I56-E58 PolarHBondContact O-N 3.15Å; I56-G59 PolarHBondContact O-N 3.15Å
57	N	89.4	Confident	93.5	Very high	156 Å²	156	59.7 Å²	59.7	83%	0.834	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.5	-175.5	-72.9	-16.1	0	0	0	112.4	G59	N57-G59 VanDerWaalsContact C-N 3.34Å
58	E	88.8	Confident	93.8	Very high	56 Å²	56	61 Å²	61	26%	0.262	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	19.1	-178.2	-49.3	95.2	151.1	0	0	112.5	L5 I56 I60 E61 L62	L5-E58 HydrophobicContact CB-CG 4.26Å; L5-E58 HydrophobicContact CD1-CB 3.7Å; L5-E58 HydrophobicContact CD1-CG 3.41Å; L5-E58 VanDerWaalsContact CD1-CG 3.41Å; L5-E58 WeakPolarHBondContact CD1-OE1 3.35Å; L5-E58 HydrophobicContact CG-CB 4.46Å; L5-E58 HydrophobicContact CG-CG 3.85Å; I56-E58 PolarHBondContact O-N 3.15Å; E58-I60 PolarHBondContact O-N 3.08Å; E58-E61 WeakPolarHBondContact CA-OE2 3.4Å; E58-E61 PolarHBondContact O-N 3.25Å; E58-L62 WeakPolarHBondContact O-CB 3.2Å; E58-L62 PolarHBondContact O-N 3.12Å
59	G	92.6	Very high	93.9	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-24.2	-175.8	0	0	0	0	0	114.2	L53 I56 N57 F63	L53-G59 VanDerWaalsContact O-CA 3.28Å; L53-G59 WeakPolarHBondContact O-CA 3.38Å; I56-G59 PolarHBondContact O-N 3.15Å; N57-G59 VanDerWaalsContact C-N 3.34Å; G59-F63 VanDerWaalsContact O-CB 3.27Å; G59-F63 WeakPolarHBondContact O-CB 3.48Å; G59-F63 PolarHBondContact O-N 3.29Å
60	I	92.1	Very high	93.8	Very high	115 Å²	115	62.9 Å²	62.9	59%	0.59	30%	0.304	S	S	*	.	H	α-helix	trans	-70.5	-48.6	174.2	-65.3	176.4	0	0	0	110.2	E58 L62 F63 K64	E58-I60 PolarHBondContact O-N 3.08Å; I60-L62 VanDerWaalsContact C-N 3.33Å; I60-F63 PolarHBondContact O-N 3.31Å; I60-K64 HydrophobicContact CG2-CD 4.49Å; I60-K64 WeakPolarHBondContact O-CG 3.46Å; I60-K64 PolarHBondContact O-N 3.02Å
61	E	93.6	Very high	93.8	Very high	60 Å²	60	63.8 Å²	63.8	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-43.4	178	-67.4	66.6	-151	0	0	110.3	V10 E58 F63 K64 A65	V10-E61 HydrophobicContact CG2-CB 4.08Å; E58-E61 WeakPolarHBondContact CA-OE2 3.4Å; E58-E61 PolarHBondContact O-N 3.25Å; E61-F63 PolarHBondContact O-N 2.84Å; E61-K64 PolarHBondContact O-N 3.37Å; E61-A65 WeakPolarHBondContact O-CB 3.48Å; E61-A65 PolarHBondContact O-N 3.21Å
62	L	94	Very high	93.6	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-44.2	175.6	-165.8	63.3	0	0	0	111.3	V10 L13 I14 Y26 L53 E58 I60 K64 A65 L66	V10-L62 HydrophobicContact CG1-CB 4.4Å; V10-L62 HydrophobicContact CG1-CD1 3.81Å; L13-L62 HydrophobicContact CD2-CD1 4.34Å; I14-L62 HydrophobicContact CD1-CD1 3.81Å; I14-L62 HydrophobicContact CG1-CD1 3.29Å; I14-L62 HydrophobicContact CG1-CG 4.44Å; Y26-L62 HydrophobicContact CD1-CD2 4.26Å; Y26-L62 HydrophobicContact CE1-CD2 3.91Å; Y26-L62 HydrophobicContact CE1-CG 4.31Å; L53-L62 HydrophobicContact CD2-CB 4.1Å; L53-L62 HydrophobicContact CD2-CD2 3.61Å; L53-L62 HydrophobicContact CD2-CG 3.91Å; E58-L62 WeakPolarHBondContact O-CB 3.2Å; E58-L62 PolarHBondContact O-N 3.12Å; I60-L62 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.49Å; L62-A65 PolarHBondContact O-N 3.49Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 2.94Å
63	F	94.7	Very high	93.4	Very high	43 Å²	43	64.4 Å²	64.4	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-37.8	177.3	-170	-125.7	0	0	0	113	L53 G59 I60 E61 K67 S73 V75	L53-F63 HydrophobicContact CD1-CB 4.03Å; L53-F63 HydrophobicContact CD1-CD2 3.49Å; L53-F63 VanDerWaalsContact CD1-CD2 3.49Å; L53-F63 HydrophobicContact CD1-CE2 4.32Å; L53-F63 HydrophobicContact CD1-CG 4.09Å; G59-F63 VanDerWaalsContact O-CB 3.27Å; G59-F63 WeakPolarHBondContact O-CB 3.48Å; G59-F63 PolarHBondContact O-N 3.29Å; I60-F63 PolarHBondContact O-N 3.31Å; E61-F63 PolarHBondContact O-N 2.84Å; F63-K67 WeakPolarHBondContact O-CB 3.35Å; F63-K67 PolarHBondContact O-N 2.94Å; F63-S73 WeakPolarHBondContact CZ-O 3.31Å; F63-V75 HydrophobicContact CD2-CG1 4.33Å; F63-V75 HydrophobicContact CE2-CG1 3.76Å
64	K	94.3	Very high	93.3	Very high	120 Å²	120	67.5 Å²	67.5	52%	0.522	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-46.1	173.6	-72.5	173.9	-177.8	174.1	0	111.1	I60 E61 L62 L66 K67 E68	I60-K64 HydrophobicContact CG2-CD 4.49Å; I60-K64 WeakPolarHBondContact O-CG 3.46Å; I60-K64 PolarHBondContact O-N 3.02Å; E61-K64 PolarHBondContact O-N 3.37Å; L62-K64 PolarHBondContact O-N 3.49Å; K64-L66 PolarHBondContact O-N 2.92Å; K64-K67 WeakPolarHBondContact O-CB 3.46Å; K64-K67 PolarHBondContact O-N 3.31Å; K64-E68 PolarHBondContact O-N 2.96Å
65	A	94.4	Very high	93.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.7	-41.5	178.3	0	0	0	0	0	112.6	R7 V10 I14 E61 L62 K67 E68 K69	R7-A65 VanDerWaalsContact CZ-CA 3.49Å; R7-A65 VanDerWaalsContact CZ-CB 3.45Å; V10-A65 HydrophobicContact CG1-CB 3.55Å; I14-A65 HydrophobicContact CD1-CB 3.64Å; E61-A65 WeakPolarHBondContact O-CB 3.48Å; E61-A65 PolarHBondContact O-N 3.21Å; L62-A65 PolarHBondContact O-N 3.49Å; A65-K67 PolarHBondContact O-N 3.26Å; A65-E68 PolarHBondContact O-N 2.85Å; A65-K69 WeakPolarHBondContact O-CB 3.43Å; A65-K69 PolarHBondContact O-N 3.02Å
66	L	95.2	Very high	93.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-46.4	172.1	-73.8	167.1	0	0	0	111.6	I14 Y26 L53 L62 K64 E68 K69 T70 F79	I14-L66 HydrophobicContact CD1-CD2 3.93Å; I14-L66 HydrophobicContact CD1-CG 3.9Å; I14-L66 HydrophobicContact CG1-CD2 4.29Å; I14-L66 HydrophobicContact CG2-CD2 4.1Å; Y26-L66 HydrophobicContact CD1-CD1 3.61Å; Y26-L66 HydrophobicContact CD2-CD1 3.66Å; Y26-L66 HydrophobicContact CD2-CD2 3.65Å; Y26-L66 HydrophobicContact CD2-CG 4.32Å; Y26-L66 HydrophobicContact CE1-CD1 4.06Å; Y26-L66 HydrophobicContact CE2-CD1 4.09Å; Y26-L66 HydrophobicContact CE2-CD2 3.49Å; Y26-L66 VanDerWaalsContact CE2-CD2 3.49Å; Y26-L66 HydrophobicContact CE2-CG 4.4Å; Y26-L66 HydrophobicContact CG-CD1 3.38Å; Y26-L66 HydrophobicContact CG-CD2 4.27Å; Y26-L66 HydrophobicContact CG-CG 4.47Å; L53-L66 HydrophobicContact CD1-CD1 4.27Å; L53-L66 HydrophobicContact CD2-CD1 4.25Å; L62-L66 HydrophobicContact CG-CD1 4.31Å; L62-L66 WeakPolarHBondContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 2.94Å; K64-L66 PolarHBondContact O-N 2.92Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.63Å; L66-K69 PolarHBondContact O-N 2.89Å; L66-T70 WeakPolarHBondContact O-CB 3.39Å; L66-T70 WeakPolarHBondContact O-CG2 3.21Å; L66-T70 PolarHBondContact O-N 2.92Å; L66-T70 PolarHBondContact O-OG1 2.96Å; L66-F79 HydrophobicContact CD2-CE2 3.88Å; L66-F79 HydrophobicContact CD2-CZ 3.98Å
67	K	95.2	Very high	93.4	Very high	110 Å²	110	55.9 Å²	55.9	48%	0.478	30%	0.299	S	S	.	.	H	α-helix	trans	-58.5	-41.6	177.4	179.8	-177.7	175.6	-175.8	0	112.2	F63 K64 A65 G71 S72	F63-K67 WeakPolarHBondContact O-CB 3.35Å; F63-K67 PolarHBondContact O-N 2.94Å; K64-K67 WeakPolarHBondContact O-CB 3.46Å; K64-K67 PolarHBondContact O-N 3.31Å; A65-K67 PolarHBondContact O-N 3.26Å; K67-G71 WeakPolarHBondContact O-CA 3.08Å; K67-G71 PolarHBondContact O-N 3.41Å; K67-S72 WeakPolarHBondContact CA-O 3.44Å
68	E	94.1	Very high	93.5	Very high	132 Å²	132	48.4 Å²	48.4	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-68.8	-39.5	176.9	-71.1	169.2	-139.1	0	0	112.2	R7 K64 A65 L66	R7-E68 IonicContact CZ-OE1 3.08Å; R7-E68 IonicContact CZ-OE2 3.61Å; R7-E68 IonicContact NH1-OE1 3.94Å; R7-E68 PolarHBondContact NH1-OE1 2.91Å; R7-E68 IonicContact NH1-OE2 2.86Å; R7-E68 PolarHBondContact NH1-OE2 3.06Å; R7-E68 IonicContact NH2-OE1 3.88Å; R7-E68 IonicContact NH2-OE2 3.15Å; R7-E68 PolarHBondContact NH2-OE2 3.45Å; K64-E68 PolarHBondContact O-N 2.96Å; A65-E68 PolarHBondContact O-N 2.85Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.63Å
69	K	92.7	Very high	93.6	Very high	102 Å²	102	45.9 Å²	45.9	44%	0.443	25%	0.247	S	C	.	.	H	α-helix	trans	-70.8	-38.2	179.5	-172.6	-179.3	177.7	79.7	0	113	I14 Q15 A65 L66	I14-K69 HydrophobicContact CG2-CD 4.15Å; Q15-K69 VanDerWaalsContact NE2-CE 3.32Å; A65-K69 WeakPolarHBondContact O-CB 3.43Å; A65-K69 PolarHBondContact O-N 3.02Å; L66-K69 PolarHBondContact O-N 2.89Å
70	T	93.4	Very high	93.3	Very high	25 Å²	25	46 Å²	46	15%	0.153	25%	0.248	C	C	.	.	H	α-helix	trans	-105.3	-16.3	-171.1	68.7	0	0	0	0	113.8	L66 S72 Q77 F79 F84	L66-T70 WeakPolarHBondContact O-CB 3.39Å; L66-T70 WeakPolarHBondContact O-CG2 3.21Å; L66-T70 PolarHBondContact O-N 2.92Å; L66-T70 PolarHBondContact O-OG1 2.96Å; T70-S72 PolarHBondContact O-N 3.02Å; T70-S72 WeakPolarHBondContact OG1-CB 3.45Å; T70-S72 PolarHBondContact OG1-N 2.97Å; T70-Q77 PolarHBondContact OG1-OE1 2.85Å; T70-F79 HydrophobicContact CG2-CE1 4.18Å; T70-F79 HydrophobicContact CG2-CE2 4.3Å; T70-F79 HydrophobicContact CG2-CZ 3.47Å; T70-F79 VanDerWaalsContact CG2-CZ 3.47Å; T70-F84 HydrophobicContact CG2-CB 4.23Å; T70-F84 HydrophobicContact CG2-CD1 4.02Å; T70-F84 HydrophobicContact CG2-CD2 3.5Å; T70-F84 HydrophobicContact CG2-CE1 4.23Å; T70-F84 HydrophobicContact CG2-CE2 3.74Å; T70-F84 HydrophobicContact CG2-CG 3.64Å; T70-F84 HydrophobicContact CG2-CZ 4.09Å
71	G	94.1	Very high	93	Very high	64 Å²	64	41.4 Å²	41.4	66%	0.66	23%	0.225	S	C	*	.			trans	71.7	-4	-167.5	0	0	0	0	0	113.9	K67	K67-G71 WeakPolarHBondContact O-CA 3.08Å; K67-G71 PolarHBondContact O-N 3.41Å
72	S	92.8	Very high	92.7	Very high	22 Å²	22	39.5 Å²	39.5	15%	0.154	22%	0.222	C	C	.	.			trans	-92.2	128.2	-175.4	-172.6	0	0	0	0	111.9	K67 T70 T74 Q77	K67-S72 WeakPolarHBondContact CA-O 3.44Å; T70-S72 PolarHBondContact O-N 3.02Å; T70-S72 WeakPolarHBondContact OG1-CB 3.45Å; T70-S72 PolarHBondContact OG1-N 2.97Å; S72-T74 PolarHBondContact OG-N 3.34Å; S72-T74 PolarHBondContact OG-OG1 3.45Å; S72-T74 VanDerWaalsContact OG-OG1 3.06Å; S72-Q77 PolarHBondContact O-NE2 3.41Å
73	S	92.9	Very high	92.3	Very high	74 Å²	74	46.2 Å²	46.2	52%	0.517	25%	0.247	S	C	.	.			trans	-97.9	15.2	174.4	61.8	0	0	0	0	113.6	F63	F63-S73 WeakPolarHBondContact CZ-O 3.31Å
74	T	93	Very high	92.1	Very high	73 Å²	73	47.3 Å²	47.3	45%	0.448	25%	0.252	S	S	.	.	S	Bend	trans	-120.5	159.6	-175.2	55.4	0	0	0	0	111.6	S72 Q77	S72-T74 PolarHBondContact OG-N 3.34Å; S72-T74 PolarHBondContact OG-OG1 3.45Å; S72-T74 VanDerWaalsContact OG-OG1 3.06Å; T74-Q77 WeakPolarHBondContact O-CG 3.45Å; T74-Q77 PolarHBondContact O-NE2 2.96Å
75	V	94	Very high	91.8	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.103	23%	0.233	C	C	.	.	S	Bend	trans	-115.5	153.3	163.8	-68.2	0	0	0	0	108.9	K28 C31 L53 F63	K28-V75 HydrophobicContact CB-CG2 4.22Å; K28-V75 HydrophobicContact CD-CG2 4.08Å; K28-V75 HydrophobicContact CG-CG1 4.42Å; K28-V75 HydrophobicContact CG-CG2 4.03Å; C31-V75 HydrophobicContact CB-CG2 4.28Å; L53-V75 HydrophobicContact CD1-CG1 3.97Å; F63-V75 HydrophobicContact CD2-CG1 4.33Å; F63-V75 HydrophobicContact CE2-CG1 3.76Å
76	P	95	Very high	91.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.			cis	-67.4	155.7	-1.8	29.1	-34.5	0	0	0	112.2	M25 Y26 A37 I78 G87 W88	M25-P76 HydrophobicContact CG-CB 4.06Å; M25-P76 HydrophobicContact SD-CB 3.98Å; Y26-P76 CarbonylContact O-C 3.59Å; Y26-P76 VanDerWaalsContact O-CA 3.31Å; Y26-P76 WeakPolarHBondContact O-CA 3.33Å; A37-P76 HydrophobicContact CB-CB 4.38Å; A37-P76 HydrophobicContact CB-CG 3.98Å; P76-I78 HydrophobicContact CB-CD1 3.83Å; P76-I78 HydrophobicContact CG-CD1 3.92Å; P76-G87 WeakPolarHBondContact O-CA 3.45Å; P76-W88 HydrophobicContact CG-CB 4.09Å
77	Q	94.6	Very high	91.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115	164.4	-64.6	-165.7	25.3	0	0	108.1	M25 Y26 T70 S72 T74 F79 F84	M25-Q77 WeakPolarHBondContact CA-O 3.41Å; Y26-Q77 PolarHBondContact N-O 3.25Å; Y26-Q77 PolarHBondContact O-N 2.99Å; T70-Q77 PolarHBondContact OG1-OE1 2.85Å; S72-Q77 PolarHBondContact O-NE2 3.41Å; T74-Q77 WeakPolarHBondContact O-CG 3.45Å; T74-Q77 PolarHBondContact O-NE2 2.96Å; Q77-F79 HydrophobicContact CB-CE2 4.44Å; Q77-F84 HydrophobicContact CB-CE2 3.96Å; Q77-F84 HydrophobicContact CG-CE2 4.25Å
78	I	92	Very high	90.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.7	-176.6	-62.4	106.9	0	0	0	110.4	V23 V24 M25 P76 I80 I85 G86 I91	V23-I78 HydrophobicContact CG1-CG2 4.25Å; V24-I78 CarbonylContact O-C 3.56Å; V24-I78 WeakPolarHBondContact O-CA 3.28Å; M25-I78 HydrophobicContact CB-CG1 4.16Å; M25-I78 HydrophobicContact CG-CG1 4.03Å; M25-I78 HydrophobicContact SD-CG1 4.34Å; P76-I78 HydrophobicContact CB-CD1 3.83Å; P76-I78 HydrophobicContact CG-CD1 3.92Å; I78-I80 HydrophobicContact CG2-CG1 4.33Å; I78-I85 PolarHBondContact O-N 3.32Å; I78-G86 PolarHBondContact N-O 3.48Å; I78-I91 HydrophobicContact CB-CD1 4.4Å; I78-I91 HydrophobicContact CB-CG1 4.46Å; I78-I91 HydrophobicContact CD1-CB 4.16Å; I78-I91 HydrophobicContact CD1-CD1 3.35Å; I78-I91 HydrophobicContact CD1-CG1 3.7Å; I78-I91 HydrophobicContact CG1-CD1 3.62Å; I78-I91 HydrophobicContact CG1-CG1 4.13Å; I78-I91 HydrophobicContact CG2-CD1 4.37Å; I78-I91 HydrophobicContact CG2-CG1 4.42Å
79	F	91.3	Very high	89.3	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.4	170.6	-66.3	-103.1	0	0	0	109.3	I18 V23 V24 Y26 L66 T70 Q77 R83 F84	I18-F79 HydrophobicContact CB-CB 4.35Å; I18-F79 HydrophobicContact CB-CD1 4.48Å; I18-F79 HydrophobicContact CB-CG 4.47Å; I18-F79 HydrophobicContact CD1-CD1 4.27Å; I18-F79 HydrophobicContact CD1-CE1 4.44Å; I18-F79 HydrophobicContact CG2-CB 3.97Å; I18-F79 HydrophobicContact CG2-CD1 3.95Å; I18-F79 HydrophobicContact CG2-CD2 4.08Å; I18-F79 HydrophobicContact CG2-CE1 4.46Å; I18-F79 HydrophobicContact CG2-CG 3.74Å; V23-F79 WeakPolarHBondContact CA-O 3.46Å; V24-F79 HydrophobicContact CB-CB 4.36Å; V24-F79 PolarHBondContact N-O 2.98Å; V24-F79 PolarHBondContact O-N 3.27Å; Y26-F79 HydrophobicContact CD2-CD2 4.04Å; Y26-F79 AromaticContact CD2-CE2 3.81Å; Y26-F79 HydrophobicContact CD2-CE2 3.81Å; Y26-F79 AromaticContact CE2-CD2 3.9Å; Y26-F79 HydrophobicContact CE2-CD2 3.9Å; Y26-F79 AromaticContact CE2-CE2 3.74Å; Y26-F79 HydrophobicContact CE2-CE2 3.74Å; L66-F79 HydrophobicContact CD2-CE2 3.88Å; L66-F79 HydrophobicContact CD2-CZ 3.98Å; T70-F79 HydrophobicContact CG2-CE1 4.18Å; T70-F79 HydrophobicContact CG2-CE2 4.3Å; T70-F79 HydrophobicContact CG2-CZ 3.47Å; T70-F79 VanDerWaalsContact CG2-CZ 3.47Å; Q77-F79 HydrophobicContact CB-CE2 4.44Å; F79-R83 CarbonylContact C-O 3.56Å; F79-R83 WeakPolarHBondContact CA-O 3.31Å; F79-F84 HydrophobicContact CD1-CB 4Å; F79-F84 HydrophobicContact CD2-CD2 4.41Å; F79-F84 HydrophobicContact CE1-CB 3.68Å; F79-F84 HydrophobicContact CE1-CD2 4.1Å; F79-F84 HydrophobicContact CE1-CG 4.32Å; F79-F84 AromaticContact CE2-CD2 3.96Å; F79-F84 HydrophobicContact CE2-CD2 3.96Å; F79-F84 HydrophobicContact CZ-CB 4.22Å; F79-F84 AromaticContact CZ-CD2 3.81Å; F79-F84 HydrophobicContact CZ-CD2 3.81Å; F79-F84 HydrophobicContact CZ-CG 4.38Å
80	I	87	Confident	88.2	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.9	173.1	-64.4	177.2	0	0	0	108.1	P22 V23 I78 G82 R83 I85 L95 E98 I102	P22-I80 CarbonylContact O-C 3.57Å; P22-I80 VanDerWaalsContact O-CA 3.26Å; P22-I80 WeakPolarHBondContact O-CA 3.33Å; V23-I80 HydrophobicContact CG2-CG1 4.38Å; I78-I80 HydrophobicContact CG2-CG1 4.33Å; I80-G82 VanDerWaalsContact C-N 3.31Å; I80-G82 PolarHBondContact O-N 3.01Å; I80-R83 PolarHBondContact N-O 3.27Å; I80-R83 WeakPolarHBondContact O-CB 3.5Å; I80-R83 PolarHBondContact O-N 3.47Å; I80-I85 HydrophobicContact CB-CD1 4.16Å; I80-I85 HydrophobicContact CB-CG1 3.91Å; I80-I85 HydrophobicContact CD1-CD1 4.2Å; I80-I85 HydrophobicContact CD1-CG1 3.73Å; I80-I85 HydrophobicContact CG1-CD1 4.35Å; I80-I85 HydrophobicContact CG1-CG1 3.67Å; I80-L95 HydrophobicContact CD1-CD2 3.7Å; I80-E98 HydrophobicContact CD1-CB 3.91Å; I80-E98 HydrophobicContact CG2-CB 4.31Å; I80-I102 HydrophobicContact CG2-CD1 3.41Å; I80-I102 VanDerWaalsContact CG2-CD1 3.41Å; I80-I102 HydrophobicContact CG2-CG1 3.72Å
81	C	84.1	Confident	87	Confident	17 Å²	17	38.7 Å²	38.7	12%	0.115	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	53.2	-175.4	-65.8	0	0	0	0	112.2	P22 R83 C111	P22-C81 PolarHBondContact O-N 3.21Å; C81-R83 PolarHBondContact O-N 2.97Å; C81-R83 VanDerWaalsContact O-N 3.08Å; C81-C111 VanDerWaalsContact CA-SG 3.54Å; C81-C111 HydrophobicContact CB-CB 3.36Å; C81-C111 WeakPolarHBondContact CB-SG 3.36Å; C81-C111 WeakPolarHBondContact SG-CB 3.41Å; C81-C111 CovalentContact SG-SG 2.06Å; C81-C111 PolarHBondContact SG-SG 3.23Å
82	G	87.4	Confident	85.5	Confident	21 Å²	21	37.9 Å²	37.9	22%	0.216	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-14.5	-177.3	0	0	0	0	0	116.3	I18 I80	I18-G82 PolarHBondContact O-N 3.27Å; I18-G82 VanDerWaalsContact O-N 3.16Å; I80-G82 VanDerWaalsContact C-N 3.31Å; I80-G82 PolarHBondContact O-N 3.01Å
83	R	87.1	Confident	84.4	Confident	143 Å²	143	43.8 Å²	43.8	54%	0.54	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.9	-178.6	-175.1	-179.4	176.4	-157.6	0.1	111.6	F79 I80 C81 I85 E98	F79-R83 CarbonylContact C-O 3.56Å; F79-R83 WeakPolarHBondContact CA-O 3.31Å; I80-R83 PolarHBondContact N-O 3.27Å; I80-R83 WeakPolarHBondContact O-CB 3.5Å; I80-R83 PolarHBondContact O-N 3.47Å; C81-R83 PolarHBondContact O-N 2.97Å; C81-R83 VanDerWaalsContact O-N 3.08Å; R83-I85 HydrophobicContact CG-CD1 4.44Å; R83-I85 PolarHBondContact O-N 2.89Å; R83-E98 IonicContact NH1-OE1 3.89Å
84	F	90.5	Very high	83.4	Confident	65 Å²	65	41.8 Å²	41.8	29%	0.285	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.4	172.1	-180	-119.5	0	0	0	111.3	T70 Q77 F79 G86	T70-F84 HydrophobicContact CG2-CB 4.23Å; T70-F84 HydrophobicContact CG2-CD1 4.02Å; T70-F84 HydrophobicContact CG2-CD2 3.5Å; T70-F84 HydrophobicContact CG2-CE1 4.23Å; T70-F84 HydrophobicContact CG2-CE2 3.74Å; T70-F84 HydrophobicContact CG2-CG 3.64Å; T70-F84 HydrophobicContact CG2-CZ 4.09Å; Q77-F84 HydrophobicContact CB-CE2 3.96Å; Q77-F84 HydrophobicContact CG-CE2 4.25Å; F79-F84 HydrophobicContact CD1-CB 4Å; F79-F84 HydrophobicContact CD2-CD2 4.41Å; F79-F84 HydrophobicContact CE1-CB 3.68Å; F79-F84 HydrophobicContact CE1-CD2 4.1Å; F79-F84 HydrophobicContact CE1-CG 4.32Å; F79-F84 AromaticContact CE2-CD2 3.96Å; F79-F84 HydrophobicContact CE2-CD2 3.96Å; F79-F84 HydrophobicContact CZ-CB 4.22Å; F79-F84 AromaticContact CZ-CD2 3.81Å; F79-F84 HydrophobicContact CZ-CD2 3.81Å; F79-F84 HydrophobicContact CZ-CG 4.38Å; F84-G86 VanDerWaalsContact CZ-CA 3.44Å
85	I	88.2	Confident	82.2	Confident	25 Å²	25	38.4 Å²	38.4	13%	0.128	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-33.4	-178.8	-58.9	-55.9	0	0	0	111.9	I78 I80 R83 E98	I78-I85 PolarHBondContact O-N 3.32Å; I80-I85 HydrophobicContact CB-CD1 4.16Å; I80-I85 HydrophobicContact CB-CG1 3.91Å; I80-I85 HydrophobicContact CD1-CD1 4.2Å; I80-I85 HydrophobicContact CD1-CG1 3.73Å; I80-I85 HydrophobicContact CG1-CD1 4.35Å; I80-I85 HydrophobicContact CG1-CG1 3.67Å; R83-I85 HydrophobicContact CG-CD1 4.44Å; R83-I85 PolarHBondContact O-N 2.89Å; I85-E98 HydrophobicContact CD1-CG 4.48Å
86	G	88.4	Confident	80.7	Confident	8 Å²	8	42.9 Å²	42.9	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	-160.5	-175.8	0	0	0	0	0	113	I78 F84	I78-G86 PolarHBondContact N-O 3.48Å; F84-G86 VanDerWaalsContact CZ-CA 3.44Å
87	G	84.9	Confident	79.4	Confident	12 Å²	12	48.5 Å²	48.5	12%	0.124	25%	0.249	C	C	.	.	S	Bend	trans	-97.4	-148.4	177	0	0	0	0	0	114.2	P76 P90 I91	P76-G87 WeakPolarHBondContact O-CA 3.45Å; G87-P90 WeakPolarHBondContact O-CD 3.41Å; G87-I91 PolarHBondContact O-N 3.2Å
88	W	78.8	Confident	78.1	Confident	63 Å²	63	50.3 Å²	50.3	24%	0.239	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-43.4	-174.5	168.5	-111.3	0	0	0	113.6	Q33 N36 A37 L40 P76 I91	Q33-W88 HydrophobicContact CB-CB 4.08Å; Q33-W88 HydrophobicContact CB-CG 4.38Å; N36-W88 HydrophobicContact CB-CD2 4.09Å; N36-W88 HydrophobicContact CB-CE3 4.01Å; N36-W88 HydrophobicContact CB-CH2 3.65Å; N36-W88 HydrophobicContact CB-CZ2 3.7Å; N36-W88 HydrophobicContact CB-CZ3 3.82Å; N36-W88 VanDerWaalsContact O-CZ3 3.28Å; N36-W88 WeakPolarHBondContact O-CZ3 3.35Å; A37-W88 VanDerWaalsContact CA-CZ3 3.45Å; A37-W88 HydrophobicContact CB-CE3 3.84Å; A37-W88 HydrophobicContact CB-CZ3 4.25Å; A37-W88 VanDerWaalsContact N-CZ3 3.29Å; L40-W88 HydrophobicContact CB-CH2 4.3Å; L40-W88 HydrophobicContact CB-CZ3 4.05Å; L40-W88 HydrophobicContact CD2-CH2 4.31Å; L40-W88 HydrophobicContact CD2-CZ3 4.03Å; P76-W88 HydrophobicContact CG-CB 4.09Å; W88-I91 HydrophobicContact CE3-CG2 3.67Å; W88-I91 HydrophobicContact CZ3-CG2 3.89Å; W88-I91 WeakPolarHBondContact O-CG2 3.28Å; W88-I91 PolarHBondContact O-N 3.18Å
89	L	73	Confident	76.7	Confident	147 Å²	147	51.3 Å²	51.3	77%	0.77	27%	0.265	S	S	*	.	H	α-helix	trans	-64	-46.7	-175.8	-68.8	171.5	0	0	0	113.1	I91	L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 3.21Å
90	P	70.2	Confident	75.2	Confident	53 Å²	53	54.3 Å²	54.3	34%	0.344	29%	0.289	S	S	.	.	H	α-helix	trans	-70.6	-21.6	177.6	-21.4	34.7	0	0	0	114.5	G87 A92 F93 S94	G87-P90 WeakPolarHBondContact O-CD 3.41Å; P90-A92 VanDerWaalsContact C-N 3.31Å; P90-A92 PolarHBondContact O-N 2.96Å; P90-F93 PolarHBondContact O-N 2.83Å; P90-S94 VanDerWaalsContact O-CB 3.26Å; P90-S94 WeakPolarHBondContact O-CB 3.46Å; P90-S94 PolarHBondContact O-N 2.67Å; P90-S94 PolarHBondContact O-OG 3.32Å
91	I	67.3	Low	74	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-39.6	-172	-146.7	-166.7	0	0	0	111.6	A37 L40 L41 I78 G87 W88 L89 F93 L95	A37-I91 HydrophobicContact CB-CD1 4.22Å; L40-I91 HydrophobicContact CD2-CG2 3.84Å; L41-I91 HydrophobicContact CD1-CD1 4.4Å; L41-I91 HydrophobicContact CG-CD1 4.4Å; I78-I91 HydrophobicContact CB-CD1 4.4Å; I78-I91 HydrophobicContact CB-CG1 4.46Å; I78-I91 HydrophobicContact CD1-CB 4.16Å; I78-I91 HydrophobicContact CD1-CD1 3.35Å; I78-I91 HydrophobicContact CD1-CG1 3.7Å; I78-I91 HydrophobicContact CG1-CD1 3.62Å; I78-I91 HydrophobicContact CG1-CG1 4.13Å; I78-I91 HydrophobicContact CG2-CD1 4.37Å; I78-I91 HydrophobicContact CG2-CG1 4.42Å; G87-I91 PolarHBondContact O-N 3.2Å; W88-I91 HydrophobicContact CE3-CG2 3.67Å; W88-I91 HydrophobicContact CZ3-CG2 3.89Å; W88-I91 WeakPolarHBondContact O-CG2 3.28Å; W88-I91 PolarHBondContact O-N 3.18Å; L89-I91 VanDerWaalsContact C-N 3.3Å; L89-I91 PolarHBondContact O-N 3.21Å; I91-F93 PolarHBondContact O-N 2.91Å; I91-L95 HydrophobicContact CB-CD1 4.46Å; I91-L95 HydrophobicContact CD1-CD1 3.64Å; I91-L95 HydrophobicContact CD1-CG 4.32Å; I91-L95 HydrophobicContact CG1-CD1 3.51Å; I91-L95 HydrophobicContact CG1-CD2 4.44Å; I91-L95 HydrophobicContact CG1-CG 3.75Å; I91-L95 VanDerWaalsContact O-CB 3.23Å; I91-L95 WeakPolarHBondContact O-CB 3.48Å; I91-L95 VanDerWaalsContact O-CG 3.22Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3.42Å
92	A	64.1	Low	73	Confident	47 Å²	47	58.7 Å²	58.7	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-39.7	-176.3	0	0	0	0	0	111.8	L40 P90 I96	L40-A92 HydrophobicContact CD2-CB 4.32Å; P90-A92 VanDerWaalsContact C-N 3.31Å; P90-A92 PolarHBondContact O-N 2.96Å; A92-I96 VanDerWaalsContact O-CD1 3.32Å; A92-I96 WeakPolarHBondContact O-CD1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.48Å
93	F	69.3	Low	71.6	Confident	147 Å²	147	68.3 Å²	68.3	65%	0.645	34%	0.337	S	S	*	.	H	α-helix	trans	-78.1	-44	178.4	-160	-99.6	0	0	0	111.3	P90 I91 F97	P90-F93 PolarHBondContact O-N 2.83Å; I91-F93 PolarHBondContact O-N 2.91Å; F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD1-CE2 4.43Å; F93-F97 HydrophobicContact CE1-CD2 4.17Å; F93-F97 AromaticContact CE1-CE2 3.87Å; F93-F97 HydrophobicContact CE1-CE2 3.87Å; F93-F97 HydrophobicContact CE2-CE2 4.44Å; F93-F97 AromaticContact CZ-CE2 3.88Å; F93-F97 HydrophobicContact CZ-CE2 3.88Å; F93-F97 WeakPolarHBondContact O-CD2 3.45Å
94	S	71	Confident	70.1	Confident	31 Å²	31	68.6 Å²	68.6	22%	0.217	35%	0.349	C	S	.	.	H	α-helix	trans	-76.8	-34.5	-172	-56.1	0	0	0	0	113.3	P90 I96 F97 E98	P90-S94 VanDerWaalsContact O-CB 3.26Å; P90-S94 WeakPolarHBondContact O-CB 3.46Å; P90-S94 PolarHBondContact O-N 2.67Å; P90-S94 PolarHBondContact O-OG 3.32Å; S94-I96 VanDerWaalsContact C-N 3.3Å; S94-I96 PolarHBondContact O-N 2.99Å; S94-F97 PolarHBondContact O-N 3.37Å; S94-E98 WeakPolarHBondContact O-CB 3.28Å; S94-E98 PolarHBondContact O-N 3.09Å
95	L	67.2	Low	68.6	Low	3 Å²	3	71.4 Å²	71.4	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-38.6	177.1	-76.4	171.5	0	0	0	111.6	L40 L41 I46 I80 I91 F97 C99	L40-L95 HydrophobicContact CD2-CD1 4.17Å; L41-L95 HydrophobicContact CD2-CD1 3.62Å; L41-L95 HydrophobicContact CD2-CD2 3.85Å; L41-L95 HydrophobicContact CD2-CG 4.44Å; L41-L95 HydrophobicContact CG-CD1 4.3Å; I46-L95 HydrophobicContact CD1-CD2 4.23Å; I80-L95 HydrophobicContact CD1-CD2 3.7Å; I91-L95 HydrophobicContact CB-CD1 4.46Å; I91-L95 HydrophobicContact CD1-CD1 3.64Å; I91-L95 HydrophobicContact CD1-CG 4.32Å; I91-L95 HydrophobicContact CG1-CD1 3.51Å; I91-L95 HydrophobicContact CG1-CD2 4.44Å; I91-L95 HydrophobicContact CG1-CG 3.75Å; I91-L95 VanDerWaalsContact O-CB 3.23Å; I91-L95 WeakPolarHBondContact O-CB 3.48Å; I91-L95 VanDerWaalsContact O-CG 3.22Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3.42Å; L95-F97 VanDerWaalsContact C-N 3.27Å; L95-F97 PolarHBondContact O-N 3.4Å; L95-C99 WeakPolarHBondContact CD2-SG 3.4Å; L95-C99 WeakPolarHBondContact O-CA 3.33Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.56Å; L95-C99 PolarHBondContact O-SG 3.41Å; L95-C99 VanDerWaalsContact O-SG 3.37Å
96	I	63.3	Low	67	Low	110 Å²	110	79.7 Å²	79.7	56%	0.564	39%	0.388	S	S	*	.	H	α-helix	trans	-59.8	-43.1	179.5	-64.5	171.9	0	0	0	110.1	A92 S94	A92-I96 VanDerWaalsContact O-CD1 3.32Å; A92-I96 WeakPolarHBondContact O-CD1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.48Å; S94-I96 VanDerWaalsContact C-N 3.3Å; S94-I96 PolarHBondContact O-N 2.99Å
97	F	68.2	Low	65.7	Low	119 Å²	119	80.7 Å²	80.7	52%	0.522	40%	0.398	S	S	.	.	H	α-helix	trans	-80.7	-42.6	-179.2	-80	-81.6	0	0	0	114	F93 S94 L95	F93-F97 HydrophobicContact CD1-CD2 4.37Å; F93-F97 HydrophobicContact CD1-CE2 4.43Å; F93-F97 HydrophobicContact CE1-CD2 4.17Å; F93-F97 AromaticContact CE1-CE2 3.87Å; F93-F97 HydrophobicContact CE1-CE2 3.87Å; F93-F97 HydrophobicContact CE2-CE2 4.44Å; F93-F97 AromaticContact CZ-CE2 3.88Å; F93-F97 HydrophobicContact CZ-CE2 3.88Å; F93-F97 WeakPolarHBondContact O-CD2 3.45Å; S94-F97 PolarHBondContact O-N 3.37Å; L95-F97 VanDerWaalsContact C-N 3.27Å; L95-F97 PolarHBondContact O-N 3.4Å
98	E	67.5	Low	64.3	Low	37 Å²	37	86.4 Å²	86.4	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-83.2	-36.3	-173.9	-66.9	-58.8	139.9	0	0	112	I80 R83 I85 S94 A100 K101 I102	I80-E98 HydrophobicContact CD1-CB 3.91Å; I80-E98 HydrophobicContact CG2-CB 4.31Å; R83-E98 IonicContact NH1-OE1 3.89Å; I85-E98 HydrophobicContact CD1-CG 4.48Å; S94-E98 WeakPolarHBondContact O-CB 3.28Å; S94-E98 PolarHBondContact O-N 3.09Å; E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.34Å; E98-K101 CarbonylContact O-C 3.5Å; E98-K101 WeakPolarHBondContact O-CA 3.43Å; E98-K101 WeakPolarHBondContact O-CB 3.4Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 IonicContact OE1-NZ 2.79Å; E98-K101 PolarHBondContact OE1-NZ 3.45Å; E98-K101 IonicContact OE2-NZ 3.79Å; E98-I102 WeakPolarHBondContact O-CG1 3.31Å; E98-I102 PolarHBondContact O-N 3.15Å
99	C	61.5	Low	63.3	Low	22 Å²	22	90.7 Å²	90.7	15%	0.149	46%	0.46	C	S	.	.	H	α-helix	trans	-68.1	-26.9	176.4	-62.5	0	0	0	0	113	I46 L95 K101 I102	I46-C99 HydrophobicContact CD1-CB 4.06Å; I46-C99 VanDerWaalsContact CD1-SG 3.51Å; L95-C99 WeakPolarHBondContact CD2-SG 3.4Å; L95-C99 WeakPolarHBondContact O-CA 3.33Å; L95-C99 WeakPolarHBondContact O-CB 3.25Å; L95-C99 PolarHBondContact O-N 2.56Å; L95-C99 PolarHBondContact O-SG 3.41Å; L95-C99 VanDerWaalsContact O-SG 3.37Å; C99-K101 PolarHBondContact O-N 3.2Å; C99-I102 HydrophobicContact CB-CD1 4.19Å; C99-I102 PolarHBondContact O-N 3.22Å
100	A	59.5	Low	62.7	Low	64 Å²	64	84.6 Å²	84.6	53%	0.529	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-33.3	168	0	0	0	0	0	111.8	E98	E98-A100 VanDerWaalsContact C-N 3.27Å; E98-A100 PolarHBondContact O-N 3.34Å
101	K	62.3	Low	62.1	Low	91 Å²	91	82.3 Å²	82.3	40%	0.396	42%	0.418	S	S	.	.	H	α-helix	trans	-82.8	-32.1	176.9	-59.2	173.4	-168.1	165.9	0	112.9	E98 C99 R103 N104 R105	E98-K101 CarbonylContact O-C 3.5Å; E98-K101 WeakPolarHBondContact O-CA 3.43Å; E98-K101 WeakPolarHBondContact O-CB 3.4Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 IonicContact OE1-NZ 2.79Å; E98-K101 PolarHBondContact OE1-NZ 3.45Å; E98-K101 IonicContact OE2-NZ 3.79Å; C99-K101 PolarHBondContact O-N 3.2Å; K101-R103 PolarHBondContact O-N 3.39Å; K101-N104 PolarHBondContact O-N 3.1Å; K101-R105 PolarHBondContact O-N 3.31Å
102	I	62.5	Low	61.5	Low	25 Å²	25	87.2 Å²	87.2	13%	0.128	45%	0.448	C	S	.	.	H	α-helix	trans	-55.7	-36.9	177.7	-64.9	170.3	0	0	0	110.9	P22 V23 I80 E98 C99 N104 R105	P22-I102 HydrophobicContact CB-CG2 4.09Å; V23-I102 HydrophobicContact CG2-CD1 3.9Å; I80-I102 HydrophobicContact CG2-CD1 3.41Å; I80-I102 VanDerWaalsContact CG2-CD1 3.41Å; I80-I102 HydrophobicContact CG2-CG1 3.72Å; E98-I102 WeakPolarHBondContact O-CG1 3.31Å; E98-I102 PolarHBondContact O-N 3.15Å; C99-I102 HydrophobicContact CB-CD1 4.19Å; C99-I102 PolarHBondContact O-N 3.22Å; I102-N104 PolarHBondContact O-N 3Å; I102-N104 VanDerWaalsContact O-N 3.13Å; I102-R105 PolarHBondContact O-N 2.84Å
103	R	59.2	Low	60.9	Low	223 Å²	223	88.1 Å²	88.1	84%	0.842	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	176.6	-78.4	-175.7	162.4	-179.1	-4.6	114	K101	K101-R103 PolarHBondContact O-N 3.39Å
104	N	56.2	Low	59.8	Low	149 Å²	149	88.8 Å²	88.8	80%	0.797	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	1	-178.6	-71.1	-19.7	0	0	0	114.1	K101 I102	K101-N104 PolarHBondContact O-N 3.1Å; I102-N104 PolarHBondContact O-N 3Å; I102-N104 VanDerWaalsContact O-N 3.13Å
105	R	57.8	Low	59.3	Low	124 Å²	124	91.7 Å²	91.7	47%	0.468	48%	0.478	S	S	.	.	S	Bend	trans	-116.1	8.3	-178.2	-66.3	-166.6	-175.4	-146.7	2.9	114.4	K101 I102 G107	K101-R105 PolarHBondContact O-N 3.31Å; I102-R105 PolarHBondContact O-N 2.84Å; R105-G107 PolarHBondContact O-N 2.84Å
106	R	55.3	Low	58.9	Low	199 Å²	199	96.3 Å²	96.3	75%	0.751	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	102.6	-178.3	-162.4	178.8	-167.5	-177	3.3	110
107	G	59.8	Low	58.6	Low	28 Å²	28	95.6 Å²	95.6	29%	0.289	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	171.9	164.5	0	0	0	0	0	111.5	R105 D109 G110	R105-G107 PolarHBondContact O-N 2.84Å; G107-D109 PolarHBondContact O-N 3.04Å; G107-G110 PolarHBondContact N-O 3.01Å; G107-G110 PolarHBondContact O-N 2.86Å
108	P	56.2	Low	58	Low	132 Å²	132	94.2 Å²	94.2	86%	0.857	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.1	172.1	25.6	-33	0	0	0	112.5
109	D	58.5	Low	57.5	Low	154 Å²	154	97.8 Å²	97.8	82%	0.824	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	9.9	-175.1	-49.9	-45.9	0	0	0	113.7	G107	G107-D109 PolarHBondContact O-N 3.04Å
110	G	59.9	Low	57.2	Low	18 Å²	18	102.8 Å²	102.8	19%	0.186	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-158.5	-177.6	0	0	0	0	0	113.8	G107 V112	G107-G110 PolarHBondContact N-O 3.01Å; G107-G110 PolarHBondContact O-N 2.86Å; G110-V112 PolarHBondContact O-N 3.12Å
111	C	57.7	Low	57	Low	6 Å²	6	105.6 Å²	105.6	4%	0.041	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.9	170.4	-83.9	0	0	0	0	108.5	P22 C81 P113	P22-C111 VanDerWaalsContact CA-SG 3.53Å; P22-C111 VanDerWaalsContact CB-SG 3.57Å; C81-C111 VanDerWaalsContact CA-SG 3.54Å; C81-C111 HydrophobicContact CB-CB 3.36Å; C81-C111 WeakPolarHBondContact CB-SG 3.36Å; C81-C111 WeakPolarHBondContact SG-CB 3.41Å; C81-C111 CovalentContact SG-SG 2.06Å; C81-C111 PolarHBondContact SG-SG 3.23Å; C111-P113 WeakPolarHBondContact O-CD 3.2Å
112	V	54.4	Low	56.6	Low	103 Å²	103	106.7 Å²	106.7	62%	0.624	55%	0.554	S	S	*	*			trans	-66.3	114.7	164.4	-170.7	0	0	0	0	106.8	G110 V114	G110-V112 PolarHBondContact O-N 3.12Å; V112-V114 PolarHBondContact O-N 3.46Å
113	P	51.1	Low	56.1	Low	66 Å²	66	113.5 Å²	113.5	43%	0.429	59%	0.59	S	S	.	*			trans	-59.1	141.2	172.6	24.3	-30.3	0	0	0	108.6	C111	C111-P113 WeakPolarHBondContact O-CD 3.2Å
114	V	47.4	Very low	55.8	Low	160 Å²	160	103.5 Å²	103.5	97%	0.97	57%	0.567	S	S	*	*			trans	-63.6	0	170.6	-87.5	0	0	0	0	111.6	V112	V112-V114 PolarHBondContact O-N 3.46Å

Retrieved 114 of 114 residues in 73.3 ms (Link to these results)

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