A0A3Q0KCV2_SCHMA Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A3Q0KCV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 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	58.7	Low	71.2	Confident	112 Å²	112	104.9 Å²	104.9	55%	0.552	51%	0.509	S	S	*	.				0	106.7	0	-160.8	-174.1	-79	0	0	108	L5 R6	M1-L5 HydrophobicContact CG-CB 4.44Å; M1-R6 HydrophobicContact CG-CG 4.26Å; M1-R6 HydrophobicContact SD-CG 3.92Å
2	T	72.6	Confident	71.2	Confident	82 Å²	82	104.8 Å²	104.8	50%	0.503	52%	0.519	S	S	.	.			trans	-71.9	157.7	-176	53.9	0	0	0	0	111.4	E4 L5 R6	T2-E4 PolarHBondContact O-N 2.99Å; T2-L5 PolarHBondContact O-N 3.35Å; T2-L5 WeakPolarHBondContact OG1-CD1 3.41Å; T2-L5 WeakPolarHBondContact OG1-CG 3.4Å; T2-R6 PolarHBondContact O-N 3.33Å
3	F	72	Confident	71.6	Confident	167 Å²	167	108.5 Å²	108.5	73%	0.732	54%	0.542	S	S	*	.	H	α-helix	trans	-57.1	-38.4	176.9	178.7	-100	0	0	0	112	L5 R6 K7	F3-L5 PolarHBondContact O-N 3.02Å; F3-R6 PolarHBondContact O-N 2.95Å; F3-K7 PolarHBondContact O-N 3.5Å
4	E	75	Confident	71.6	Confident	137 Å²	137	104.1 Å²	104.1	64%	0.64	52%	0.522	S	S	*	.	H	α-helix	trans	-63.1	-41	177.1	-61.3	-168.9	161.4	0	0	113.1	T2 R6 K7 K8	T2-E4 PolarHBondContact O-N 2.99Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-K7 PolarHBondContact O-N 2.97Å; E4-K8 WeakPolarHBondContact O-CB 3.46Å; E4-K8 WeakPolarHBondContact O-CG 3.39Å; E4-K8 PolarHBondContact O-N 2.87Å
5	L	68.9	Low	71.9	Confident	60 Å²	60	105.3 Å²	105.3	31%	0.314	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.9	-82.2	168.3	0	0	0	111.5	M1 T2 F3 K8 L9	M1-L5 HydrophobicContact CG-CB 4.44Å; T2-L5 PolarHBondContact O-N 3.35Å; T2-L5 WeakPolarHBondContact OG1-CD1 3.41Å; T2-L5 WeakPolarHBondContact OG1-CG 3.4Å; F3-L5 PolarHBondContact O-N 3.02Å; L5-K8 PolarHBondContact O-N 3.06Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.26Å
6	R	69.9	Low	71.9	Confident	158 Å²	158	109.6 Å²	109.6	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-63.7	-41.5	175.6	-74	-176.2	178.8	153.7	-1.2	112.3	M1 T2 F3 E4 L9 A10	M1-R6 HydrophobicContact CG-CG 4.26Å; M1-R6 HydrophobicContact SD-CG 3.92Å; T2-R6 PolarHBondContact O-N 3.33Å; F3-R6 PolarHBondContact O-N 2.95Å; E4-R6 VanDerWaalsContact C-N 3.34Å; R6-L9 PolarHBondContact O-N 3.41Å; R6-A10 PolarHBondContact O-N 2.79Å; R6-A10 VanDerWaalsContact O-N 3.17Å
7	K	76.7	Confident	72	Confident	130 Å²	130	106.8 Å²	106.8	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-46.7	176	-173.9	-179.2	175.7	-176.3	0	111.1	F3 E4 L9 A10 E11	F3-K7 PolarHBondContact O-N 3.5Å; E4-K7 PolarHBondContact O-N 2.97Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.33Å; K7-A10 WeakPolarHBondContact O-CB 3.38Å; K7-A10 PolarHBondContact O-N 2.9Å; K7-E11 PolarHBondContact O-N 2.98Å
8	K	71.5	Confident	71.8	Confident	108 Å²	108	112.7 Å²	112.7	47%	0.47	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-35.1	177	-77.3	-176	178.1	-179.9	0	113.3	E4 L5 A10 E11 R20	E4-K8 WeakPolarHBondContact O-CB 3.46Å; E4-K8 WeakPolarHBondContact O-CG 3.39Å; E4-K8 PolarHBondContact O-N 2.87Å; L5-K8 PolarHBondContact O-N 3.06Å; K8-A10 VanDerWaalsContact C-N 3.28Å; K8-A10 PolarHBondContact O-N 2.67Å; K8-E11 PolarHBondContact O-N 3.31Å; K8-R20 PolarHBondContact O-NH1 3.03Å; K8-R20 PolarHBondContact O-NH2 2.9Å
9	L	69.4	Low	72	Confident	37 Å²	37	109.9 Å²	109.9	19%	0.194	54%	0.537	C	S	.	.	H	α-helix	trans	-70.8	-19.5	173.4	-79.6	167.6	0	0	0	113.5	L5 R6 K7 F17 L21	L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.26Å; R6-L9 PolarHBondContact O-N 3.41Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.33Å; L9-F17 WeakPolarHBondContact O-CE2 3.32Å; L9-L21 HydrophobicContact CD2-CB 4.18Å; L9-L21 HydrophobicContact CD2-CG 4.48Å
10	A	72.3	Confident	72	Confident	76 Å²	76	106.9 Å²	106.9	63%	0.628	52%	0.519	S	S	*	.	H	α-helix	trans	-84.6	-17.4	176.3	0	0	0	0	0	112.7	R6 K7 K8 T12	R6-A10 PolarHBondContact O-N 2.79Å; R6-A10 VanDerWaalsContact O-N 3.17Å; K7-A10 WeakPolarHBondContact O-CB 3.38Å; K7-A10 PolarHBondContact O-N 2.9Å; K8-A10 VanDerWaalsContact C-N 3.28Å; K8-A10 PolarHBondContact O-N 2.67Å; A10-T12 PolarHBondContact O-N 2.87Å; A10-T12 VanDerWaalsContact O-N 3.16Å
11	E	76	Confident	72	Confident	87 Å²	87	105.2 Å²	105.2	41%	0.407	51%	0.512	S	S	.	.			trans	-77.9	96.3	177.2	-69.8	166.9	-179.6	0	0	110	K7 K8 D13 F17	K7-E11 PolarHBondContact O-N 2.98Å; K8-E11 PolarHBondContact O-N 3.31Å; E11-D13 PolarHBondContact O-N 3.16Å; E11-F17 WeakPolarHBondContact O-CD2 3.48Å
12	T	71	Confident	72.9	Confident	103 Å²	103	103.2 Å²	103.2	63%	0.632	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18	178.2	50.5	0	0	0	0	113.8	A10 F17	A10-T12 PolarHBondContact O-N 2.87Å; A10-T12 VanDerWaalsContact O-N 3.16Å; T12-F17 HydrophobicContact CG2-CE2 4.43Å
13	D	76.5	Confident	73.1	Confident	153 Å²	153	103.1 Å²	103.1	82%	0.818	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.1	-172.1	-62.4	-7.8	0	0	0	113	E11	E11-D13 PolarHBondContact O-N 3.16Å
14	D	71.8	Confident	73.3	Confident	48 Å²	48	95.7 Å²	95.7	26%	0.257	47%	0.472	S	S	.	.			trans	-77.4	127.2	175.4	-168.3	-36.1	0	0	0	110.3	W16 F17 R20	D14-W16 PolarHBondContact O-N 3.44Å; D14-W16 PolarHBondContact OD1-N 3.17Å; D14-F17 WeakPolarHBondContact O-CB 3.47Å; D14-F17 PolarHBondContact O-N 3.43Å; D14-R20 VanDerWaalsContact CG-NH2 3.25Å; D14-R20 IonicContact OD2-CZ 2.77Å; D14-R20 IonicContact OD2-NE 3.37Å; D14-R20 PolarHBondContact OD2-NE 2.69Å; D14-R20 IonicContact OD2-NH1 2.67Å; D14-R20 PolarHBondContact OD2-NH1 3.26Å; D14-R20 IonicContact OD2-NH2 3.07Å; D14-R20 PolarHBondContact OD2-NH2 3.25Å; D14-R20 VanDerWaalsContact OD2-NH2 3.07Å
15	P	76.5	Confident	73.6	Confident	122 Å²	122	91.8 Å²	91.8	79%	0.792	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.2	174.8	-26.3	34.1	0	0	0	114.8
16	W	72.3	Confident	74.2	Confident	174 Å²	174	94.4 Å²	94.4	66%	0.659	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	17.6	-178.1	-61	82	0	0	0	113.2	D14 R18 T19 R20	D14-W16 PolarHBondContact O-N 3.44Å; D14-W16 PolarHBondContact OD1-N 3.17Å; W16-R18 VanDerWaalsContact C-N 3.34Å; W16-R18 PolarHBondContact O-N 3.39Å; W16-T19 HydrophobicContact CE3-CG2 4.21Å; W16-T19 PolarHBondContact O-N 3.49Å; W16-T19 PolarHBondContact O-OG1 2.95Å; W16-R20 WeakPolarHBondContact O-CB 3.43Å; W16-R20 WeakPolarHBondContact O-CG 3.42Å; W16-R20 PolarHBondContact O-N 3.07Å
17	F	72.2	Confident	74.7	Confident	61 Å²	61	91.3 Å²	91.3	27%	0.268	46%	0.46	S	S	.	.	H	α-helix	trans	-52.6	-48	179.4	176.3	-92	0	0	0	113	L9 E11 T12 D14 R20 L21	L9-F17 WeakPolarHBondContact O-CE2 3.32Å; E11-F17 WeakPolarHBondContact O-CD2 3.48Å; T12-F17 HydrophobicContact CG2-CE2 4.43Å; D14-F17 WeakPolarHBondContact O-CB 3.47Å; D14-F17 PolarHBondContact O-N 3.43Å; F17-R20 PolarHBondContact O-N 3.37Å; F17-L21 HydrophobicContact CE1-CD1 3.93Å; F17-L21 HydrophobicContact CZ-CD1 4.18Å; F17-L21 WeakPolarHBondContact O-CB 3.17Å; F17-L21 PolarHBondContact O-N 2.91Å
18	R	69.9	Low	74.7	Confident	214 Å²	214	86.2 Å²	86.2	81%	0.808	44%	0.442	S	S	*	.	H	α-helix	trans	-64.5	-42.7	-178.7	-95.9	-174.9	173.9	120.7	-2.2	112.8	W16 L21 V22	W16-R18 VanDerWaalsContact C-N 3.34Å; W16-R18 PolarHBondContact O-N 3.39Å; R18-L21 PolarHBondContact O-N 2.86Å; R18-V22 WeakPolarHBondContact O-CG2 3.22Å; R18-V22 PolarHBondContact O-N 3.37Å
19	T	75.2	Confident	75.2	Confident	59 Å²	59	87.7 Å²	87.7	36%	0.362	45%	0.449	S	S	.	.	H	α-helix	trans	-67.9	-46	179.4	52.9	0	0	0	0	110.3	W16 L21 V22 D23	W16-T19 HydrophobicContact CE3-CG2 4.21Å; W16-T19 PolarHBondContact O-N 3.49Å; W16-T19 PolarHBondContact O-OG1 2.95Å; T19-L21 VanDerWaalsContact C-N 3.26Å; T19-L21 PolarHBondContact O-N 3.22Å; T19-V22 PolarHBondContact O-N 2.88Å; T19-D23 WeakPolarHBondContact O-CB 3.39Å; T19-D23 PolarHBondContact O-N 3.47Å
20	R	72.2	Confident	75.8	Confident	49 Å²	49	92.9 Å²	92.9	19%	0.185	47%	0.472	C	S	.	.	H	α-helix	trans	-59.1	-36.8	175.4	-71.3	-175.9	-61.5	158.6	25.4	112.4	K8 D14 W16 F17 S24	K8-R20 PolarHBondContact O-NH1 3.03Å; K8-R20 PolarHBondContact O-NH2 2.9Å; D14-R20 VanDerWaalsContact CG-NH2 3.25Å; D14-R20 IonicContact OD2-CZ 2.77Å; D14-R20 IonicContact OD2-NE 3.37Å; D14-R20 PolarHBondContact OD2-NE 2.69Å; D14-R20 IonicContact OD2-NH1 2.67Å; D14-R20 PolarHBondContact OD2-NH1 3.26Å; D14-R20 IonicContact OD2-NH2 3.07Å; D14-R20 PolarHBondContact OD2-NH2 3.25Å; D14-R20 VanDerWaalsContact OD2-NH2 3.07Å; W16-R20 WeakPolarHBondContact O-CB 3.43Å; W16-R20 WeakPolarHBondContact O-CG 3.42Å; W16-R20 PolarHBondContact O-N 3.07Å; F17-R20 PolarHBondContact O-N 3.37Å; R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 2.67Å; R20-S24 PolarHBondContact O-OG 3.17Å
21	L	72.2	Confident	76.2	Confident	72 Å²	72	95 Å²	95	38%	0.377	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-50.4	173.6	-161.1	168.5	0	0	0	110.6	L9 F17 R18 T19 S24 T25	L9-L21 HydrophobicContact CD2-CB 4.18Å; L9-L21 HydrophobicContact CD2-CG 4.48Å; F17-L21 HydrophobicContact CE1-CD1 3.93Å; F17-L21 HydrophobicContact CZ-CD1 4.18Å; F17-L21 WeakPolarHBondContact O-CB 3.17Å; F17-L21 PolarHBondContact O-N 2.91Å; R18-L21 PolarHBondContact O-N 2.86Å; T19-L21 VanDerWaalsContact C-N 3.26Å; T19-L21 PolarHBondContact O-N 3.22Å; L21-S24 PolarHBondContact O-N 3.48Å; L21-S24 PolarHBondContact O-OG 3.47Å; L21-T25 HydrophobicContact CD2-CG2 3.74Å; L21-T25 WeakPolarHBondContact O-CG2 3.18Å; L21-T25 PolarHBondContact O-N 2.86Å
22	V	76.3	Confident	76.3	Confident	70 Å²	70	97.5 Å²	97.5	42%	0.424	49%	0.485	S	S	.	.	H	α-helix	trans	-58.3	-51.2	176.9	174.3	0	0	0	0	110.9	R18 T19 S24 T25 E26	R18-V22 WeakPolarHBondContact O-CG2 3.22Å; R18-V22 PolarHBondContact O-N 3.37Å; T19-V22 PolarHBondContact O-N 2.88Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.8Å; V22-T25 CarbonylContact O-C 3.6Å; V22-T25 WeakPolarHBondContact O-CA 3.3Å; V22-T25 PolarHBondContact O-N 2.91Å; V22-T25 PolarHBondContact O-OG1 3.22Å; V22-E26 HydrophobicContact CG1-CG 4.39Å; V22-E26 WeakPolarHBondContact O-CG 3.38Å; V22-E26 PolarHBondContact O-N 3.47Å
23	D	78.3	Confident	76.7	Confident	80 Å²	80	100.4 Å²	100.4	43%	0.428	49%	0.489	S	S	.	.	H	α-helix	trans	-55.5	-45.6	177.5	-60.6	-21.5	0	0	0	110.5	T19 T25 E26 E27	T19-D23 WeakPolarHBondContact O-CB 3.39Å; T19-D23 PolarHBondContact O-N 3.47Å; D23-T25 VanDerWaalsContact C-N 3.32Å; D23-T25 PolarHBondContact O-N 3.42Å; D23-E26 PolarHBondContact O-N 3.39Å; D23-E27 WeakPolarHBondContact O-CB 3.35Å; D23-E27 VanDerWaalsContact O-CG 3.3Å; D23-E27 WeakPolarHBondContact O-CG 3.47Å; D23-E27 PolarHBondContact O-N 3.25Å
24	S	75.8	Confident	76.6	Confident	12 Å²	12	100.1 Å²	100.1	8%	0.084	48%	0.48	C	S	.	.	H	α-helix	trans	-64.6	-34	177.1	77.4	0	0	0	0	113.2	R20 L21 V22 A28	R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 2.67Å; R20-S24 PolarHBondContact O-OG 3.17Å; L21-S24 PolarHBondContact O-N 3.48Å; L21-S24 PolarHBondContact O-OG 3.47Å; V22-S24 VanDerWaalsContact C-N 3.29Å; V22-S24 PolarHBondContact O-N 2.8Å; S24-A28 WeakPolarHBondContact O-CB 3.46Å; S24-A28 PolarHBondContact O-N 2.84Å
25	T	80.3	Confident	76.8	Confident	54 Å²	54	101.6 Å²	101.6	33%	0.331	49%	0.494	S	S	.	.	H	α-helix	trans	-73.4	-35.5	175.9	62.6	0	0	0	0	111.6	L21 V22 D23 A28 K29	L21-T25 HydrophobicContact CD2-CG2 3.74Å; L21-T25 WeakPolarHBondContact O-CG2 3.18Å; L21-T25 PolarHBondContact O-N 2.86Å; V22-T25 CarbonylContact O-C 3.6Å; V22-T25 WeakPolarHBondContact O-CA 3.3Å; V22-T25 PolarHBondContact O-N 2.91Å; V22-T25 PolarHBondContact O-OG1 3.22Å; D23-T25 VanDerWaalsContact C-N 3.32Å; D23-T25 PolarHBondContact O-N 3.42Å; T25-A28 PolarHBondContact O-N 3.06Å; T25-K29 WeakPolarHBondContact O-CB 3.49Å; T25-K29 WeakPolarHBondContact O-CG 3.37Å; T25-K29 PolarHBondContact O-N 3.27Å
26	E	81.3	Confident	77	Confident	115 Å²	115	101.3 Å²	101.3	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-70.1	-43.9	175.1	-70	-172.7	173.6	0	0	111.2	V22 D23 A28 K29 H30	V22-E26 HydrophobicContact CG1-CG 4.39Å; V22-E26 WeakPolarHBondContact O-CG 3.38Å; V22-E26 PolarHBondContact O-N 3.47Å; D23-E26 PolarHBondContact O-N 3.39Å; E26-A28 VanDerWaalsContact C-N 3.35Å; E26-A28 PolarHBondContact O-N 2.98Å; E26-K29 WeakPolarHBondContact O-CB 3.44Å; E26-K29 PolarHBondContact O-N 3.05Å; E26-H30 WeakPolarHBondContact O-CB 3.45Å; E26-H30 PolarHBondContact O-N 2.85Å
27	E	80.3	Confident	77.1	Confident	93 Å²	93	101.8 Å²	101.8	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-57.2	-47.4	169.8	-75.3	180	-178.8	0	0	111.1	D23 K29 H30 I31	D23-E27 WeakPolarHBondContact O-CB 3.35Å; D23-E27 VanDerWaalsContact O-CG 3.3Å; D23-E27 WeakPolarHBondContact O-CG 3.47Å; D23-E27 PolarHBondContact O-N 3.25Å; E27-K29 PolarHBondContact O-N 3.2Å; E27-H30 PolarHBondContact O-N 3.38Å; E27-H30 VanDerWaalsContact O-N 3.17Å; E27-I31 WeakPolarHBondContact O-CB 3.26Å; E27-I31 VanDerWaalsContact O-CG1 3.24Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.94Å
28	A	78.2	Confident	77.4	Confident	24 Å²	24	104.1 Å²	104.1	20%	0.198	52%	0.519	C	S	.	.	H	α-helix	trans	-62.3	-42.3	177.3	0	0	0	0	0	111.7	S24 T25 E26 H30 I31 M32	S24-A28 WeakPolarHBondContact O-CB 3.46Å; S24-A28 PolarHBondContact O-N 2.84Å; T25-A28 PolarHBondContact O-N 3.06Å; E26-A28 VanDerWaalsContact C-N 3.35Å; E26-A28 PolarHBondContact O-N 2.98Å; A28-H30 VanDerWaalsContact C-N 3.31Å; A28-H30 PolarHBondContact O-N 2.85Å; A28-I31 PolarHBondContact O-N 3.33Å; A28-M32 HydrophobicContact CB-CE 4.43Å; A28-M32 VanDerWaalsContact O-CB 3.27Å; A28-M32 WeakPolarHBondContact O-CB 3.24Å; A28-M32 VanDerWaalsContact O-CG 3.26Å; A28-M32 WeakPolarHBondContact O-CG 3.5Å; A28-M32 PolarHBondContact O-N 3.39Å
29	K	82.4	Confident	77.9	Confident	139 Å²	139	96.2 Å²	96.2	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-41.2	173.4	-77.6	169.1	-176.6	171.8	0	111.3	T25 E26 E27 K33	T25-K29 WeakPolarHBondContact O-CB 3.49Å; T25-K29 WeakPolarHBondContact O-CG 3.37Å; T25-K29 PolarHBondContact O-N 3.27Å; E26-K29 WeakPolarHBondContact O-CB 3.44Å; E26-K29 PolarHBondContact O-N 3.05Å; E27-K29 PolarHBondContact O-N 3.2Å; K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.48Å
30	H	81.2	Confident	78.1	Confident	146 Å²	146	102.4 Å²	102.4	68%	0.676	52%	0.519	S	S	*	.	H	α-helix	trans	-67.1	-42.3	178.1	-169.5	-70.3	0	0	0	111.9	E26 E27 A28 K33	E26-H30 WeakPolarHBondContact O-CB 3.45Å; E26-H30 PolarHBondContact O-N 2.85Å; E27-H30 PolarHBondContact O-N 3.38Å; E27-H30 VanDerWaalsContact O-N 3.17Å; A28-H30 VanDerWaalsContact C-N 3.31Å; A28-H30 PolarHBondContact O-N 2.85Å; H30-K33 WeakPolarHBondContact O-CB 3.39Å; H30-K33 PolarHBondContact O-N 2.91Å
31	I	81	Confident	78.7	Confident	119 Å²	119	106.4 Å²	106.4	61%	0.61	54%	0.543	S	S	*	.	H	α-helix	trans	-66.7	-41.6	176.7	-66.9	162.9	0	0	0	111	E27 A28 K33	E27-I31 WeakPolarHBondContact O-CB 3.26Å; E27-I31 VanDerWaalsContact O-CG1 3.24Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.94Å; A28-I31 PolarHBondContact O-N 3.33Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.36Å
32	M	76.6	Confident	79.3	Confident	141 Å²	141	107.4 Å²	107.4	70%	0.695	55%	0.549	S	S	*	.	H	α-helix	trans	-77.8	-13.3	178.8	-69.8	-168.6	-62.4	0	0	113.3	A28 K34	A28-M32 HydrophobicContact CB-CE 4.43Å; A28-M32 VanDerWaalsContact O-CB 3.27Å; A28-M32 WeakPolarHBondContact O-CB 3.24Å; A28-M32 VanDerWaalsContact O-CG 3.26Å; A28-M32 WeakPolarHBondContact O-CG 3.5Å; A28-M32 PolarHBondContact O-N 3.39Å; M32-K34 PolarHBondContact O-N 3.32Å
33	K	79.8	Confident	79.8	Confident	164 Å²	164	110.3 Å²	110.3	71%	0.713	57%	0.567	S	S	*	*	S	Bend	trans	-62.9	107.4	176.3	-170.9	176.2	-179.1	-179.6	0	107.9	K29 H30 I31 S35	K29-K33 WeakPolarHBondContact O-CB 3.44Å; K29-K33 PolarHBondContact O-N 3.48Å; H30-K33 WeakPolarHBondContact O-CB 3.39Å; H30-K33 PolarHBondContact O-N 2.91Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.36Å; K33-S35 PolarHBondContact O-N 2.94Å
34	K	75.8	Confident	80.1	Confident	146 Å²	146	113.5 Å²	113.5	64%	0.635	58%	0.582	S	S	*	*			trans	-51	135.2	173.7	-66	-178.4	176.2	-173.3	0	108.6	M32 F38	M32-K34 PolarHBondContact O-N 3.32Å; K34-F38 HydrophobicContact CB-CB 4.1Å; K34-F38 HydrophobicContact CB-CD1 4.42Å; K34-F38 HydrophobicContact CB-CG 4.25Å; K34-F38 HydrophobicContact CD-CD1 3.72Å; K34-F38 HydrophobicContact CD-CE1 3.91Å; K34-F38 HydrophobicContact CD-CG 4.27Å; K34-F38 HydrophobicContact CG-CD1 4.42Å
35	S	76.1	Confident	80.7	Confident	80 Å²	80	119.2 Å²	119.2	56%	0.559	62%	0.617	S	S	*	*			trans	-54.6	145.8	177	103.7	0	0	0	0	108.8	K33 K37 F38	K33-S35 PolarHBondContact O-N 2.94Å; S35-K37 PolarHBondContact O-N 3.49Å; S35-K37 PolarHBondContact OG-N 3.25Å; S35-F38 VanDerWaalsContact O-CB 3.3Å; S35-F38 WeakPolarHBondContact O-CB 3.3Å; S35-F38 PolarHBondContact O-N 3.5Å; S35-F38 PolarHBondContact OG-N 3.24Å
36	A	78.9	Confident	81.1	Confident	115 Å²	115	121.3 Å²	121.3	95%	0.95	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-14.6	178.7	0	0	0	0	0	113.2
37	K	76.1	Confident	81.2	Confident	185 Å²	185	121.9 Å²	121.9	80%	0.804	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	5.3	177.6	-60.4	-176.6	-179.6	-180	0	113.7	S35 S39	S35-K37 PolarHBondContact O-N 3.49Å; S35-K37 PolarHBondContact OG-N 3.25Å; K37-S39 PolarHBondContact O-N 3.29Å; K37-S39 VanDerWaalsContact O-N 3.12Å
38	F	78.2	Confident	81.2	Confident	109 Å²	109	123.9 Å²	123.9	48%	0.478	66%	0.656	S	S	.	*			trans	-66.3	111.3	178.6	177.5	-92	0	0	0	109.9	K34 S35	K34-F38 HydrophobicContact CB-CB 4.1Å; K34-F38 HydrophobicContact CB-CD1 4.42Å; K34-F38 HydrophobicContact CB-CG 4.25Å; K34-F38 HydrophobicContact CD-CD1 3.72Å; K34-F38 HydrophobicContact CD-CE1 3.91Å; K34-F38 HydrophobicContact CD-CG 4.27Å; K34-F38 HydrophobicContact CG-CD1 4.42Å; S35-F38 VanDerWaalsContact O-CB 3.3Å; S35-F38 WeakPolarHBondContact O-CB 3.3Å; S35-F38 PolarHBondContact O-N 3.5Å; S35-F38 PolarHBondContact OG-N 3.24Å
39	S	79.8	Confident	81.3	Confident	49 Å²	49	131.7 Å²	131.7	34%	0.343	69%	0.688	S	S	.	*			trans	-94.1	147.8	164.7	-170.1	0	0	0	0	109.7	K37 D41 D42	K37-S39 PolarHBondContact O-N 3.29Å; K37-S39 VanDerWaalsContact O-N 3.12Å; S39-D41 PolarHBondContact O-N 3.18Å; S39-D41 PolarHBondContact OG-N 3.12Å; S39-D42 VanDerWaalsContact CB-OD1 3.3Å; S39-D42 WeakPolarHBondContact CB-OD1 3.44Å; S39-D42 PolarHBondContact N-OD2 2.84Å; S39-D42 WeakPolarHBondContact O-CB 3.3Å; S39-D42 PolarHBondContact O-N 3.38Å
40	K	80.2	Confident	81.4	Confident	189 Å²	189	130.2 Å²	130.2	82%	0.822	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-23.7	171.3	-173.3	179.6	175.7	-173.9	0	111.7	D42	K40-D42 VanDerWaalsContact C-N 3.34Å
41	D	84.3	Confident	81.9	Confident	132 Å²	132	127.7 Å²	127.7	71%	0.706	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	6.5	-177.2	-51.1	-38.8	0	0	0	112.6	S39 V43	S39-D41 PolarHBondContact O-N 3.18Å; S39-D41 PolarHBondContact OG-N 3.12Å; D41-V43 PolarHBondContact O-N 3.27Å
42	D	84	Confident	82.3	Confident	94 Å²	94	124.4 Å²	124.4	50%	0.503	66%	0.662	S	S	.	*			trans	-68.4	118.1	176.1	-70.6	-18.5	0	0	0	109.9	S39 K40	S39-D42 VanDerWaalsContact CB-OD1 3.3Å; S39-D42 WeakPolarHBondContact CB-OD1 3.44Å; S39-D42 PolarHBondContact N-OD2 2.84Å; S39-D42 WeakPolarHBondContact O-CB 3.3Å; S39-D42 PolarHBondContact O-N 3.38Å; K40-D42 VanDerWaalsContact C-N 3.34Å
43	V	86.2	Confident	83	Confident	130 Å²	130	119.1 Å²	119.1	79%	0.788	64%	0.638	S	S	*	*			trans	-104.5	139.5	176.8	-178.7	0	0	0	0	109.6	D41	D41-V43 PolarHBondContact O-N 3.27Å
44	I	86.5	Confident	83.5	Confident	148 Å²	148	116.3 Å²	116.3	76%	0.759	64%	0.636	S	S	*	*			trans	-101.6	126.4	172.5	-58.5	169.8	0	0	0	108.1	V46	I44-V46 HydrophobicContact CG2-CG2 4.16Å
45	T	88.2	Confident	84.4	Confident	131 Å²	131	114.9 Å²	114.9	80%	0.804	64%	0.64	S	S	*	*			trans	-88.9	112.2	171	-52.3	0	0	0	0	109
46	V	88.9	Confident	85	Confident	99 Å²	99	113.9 Å²	113.9	60%	0.6	63%	0.628	S	S	*	*			trans	-96.6	120.7	174.9	-176.8	0	0	0	0	108.4	I44 L48	I44-V46 HydrophobicContact CG2-CG2 4.16Å; V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 HydrophobicContact CG1-CB 4.16Å; V46-L48 PolarHBondContact O-N 3.15Å
47	P	82.1	Confident	85.7	Confident	126 Å²	126	111.8 Å²	111.8	82%	0.818	62%	0.617	S	S	*	*			trans	-85.8	13.2	-174.8	34.9	-36.8	0	0	0	114.2
48	L	80.2	Confident	86.4	Confident	135 Å²	135	104.8 Å²	104.8	71%	0.707	59%	0.59	S	S	*	*	S	Bend	trans	-103.4	156.4	-174.3	-68.3	166	0	0	0	111.1	V46	V46-L48 VanDerWaalsContact C-N 3.26Å; V46-L48 HydrophobicContact CG1-CB 4.16Å; V46-L48 PolarHBondContact O-N 3.15Å
49	E	80.7	Confident	87.1	Confident	188 Å²	188	103.2 Å²	103.2	88%	0.879	59%	0.59	S	S	*	*			trans	-66	145.6	171.9	-63.7	-179.5	168	0	0	110.9	D51	E49-D51 VanDerWaalsContact C-N 3.31Å; E49-D51 PolarHBondContact O-N 3.17Å
50	D	85.7	Confident	87.7	Confident	109 Å²	109	109.3 Å²	109.3	58%	0.583	61%	0.611	S	S	*	*			trans	-75.5	73.2	-177.2	-76.5	-11.9	0	0	0	111.8	R131	D50-R131 HydrophobicContact CB-CG 3.96Å; D50-R131 VanDerWaalsContact O-CA 3.23Å; D50-R131 WeakPolarHBondContact O-CA 3.46Å; D50-R131 WeakPolarHBondContact O-CB 3.48Å; D50-R131 WeakPolarHBondContact O-CG 3.16Å
51	D	90	Very high	88.2	Confident	92 Å²	92	106.1 Å²	106.1	49%	0.492	60%	0.599	S	S	.	*			trans	-84.5	114.7	173.9	-175.8	9.6	0	0	0	111.8	E49 T53	E49-D51 VanDerWaalsContact C-N 3.31Å; E49-D51 PolarHBondContact O-N 3.17Å; D51-T53 VanDerWaalsContact CG-OG1 3.25Å; D51-T53 VanDerWaalsContact OD1-CB 3.26Å; D51-T53 WeakPolarHBondContact OD1-CB 3.28Å; D51-T53 WeakPolarHBondContact OD1-CG2 3.26Å; D51-T53 PolarHBondContact OD1-N 3.37Å; D51-T53 PolarHBondContact OD1-OG1 3.24Å; D51-T53 PolarHBondContact OD2-OG1 3.41Å; D51-T53 VanDerWaalsContact OD2-OG1 3.05Å
52	L	91	Very high	88.6	Confident	50 Å²	50	100.9 Å²	100.9	26%	0.262	57%	0.57	S	S	.	*			trans	-99.6	-3.2	178.8	-59.7	176.9	0	0	0	113.3	P54 V55 N56 R131	L52-P54 VanDerWaalsContact C-N 3.32Å; L52-P54 VanDerWaalsContact O-N 3.16Å; L52-V55 PolarHBondContact O-N 3Å; L52-N56 VanDerWaalsContact CB-ND2 3.28Å; L52-N56 WeakPolarHBondContact CB-ND2 3.33Å; L52-N56 PolarHBondContact O-N 3.12Å; L52-N56 PolarHBondContact O-ND2 3.16Å; L52-N56 PolarHBondContact O-OD1 2.74Å; L52-R131 WeakPolarHBondContact CA-O 3.41Å; L52-R131 WeakPolarHBondContact CB-O 3.09Å; L52-R131 HydrophobicContact CD1-CB 4.33Å; L52-R131 PolarHBondContact N-O 2.72Å
53	T	90.9	Very high	88.8	Confident	31 Å²	31	97.9 Å²	97.9	19%	0.19	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-48.6	-40.1	179.7	58.5	0	0	0	0	115	D51 V55 Q132	D51-T53 VanDerWaalsContact CG-OG1 3.25Å; D51-T53 VanDerWaalsContact OD1-CB 3.26Å; D51-T53 WeakPolarHBondContact OD1-CB 3.28Å; D51-T53 WeakPolarHBondContact OD1-CG2 3.26Å; D51-T53 PolarHBondContact OD1-N 3.37Å; D51-T53 PolarHBondContact OD1-OG1 3.24Å; D51-T53 PolarHBondContact OD2-OG1 3.41Å; D51-T53 VanDerWaalsContact OD2-OG1 3.05Å; T53-V55 VanDerWaalsContact C-N 3.31Å; T53-V55 PolarHBondContact O-N 3.43Å; T53-Q132 WeakPolarHBondContact CG2-O 3.23Å
54	P	90.7	Very high	88.8	Confident	105 Å²	105	95.9 Å²	95.9	68%	0.682	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.5	-178.4	30.1	-35.6	0	0	0	113.9	L52	L52-P54 VanDerWaalsContact C-N 3.32Å; L52-P54 VanDerWaalsContact O-N 3.16Å
55	V	92.9	Very high	89	Confident	116 Å²	116	94.4 Å²	94.4	70%	0.703	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-29.8	-173.1	-176.3	0	0	0	0	112	L52 T53 G57	L52-V55 PolarHBondContact O-N 3Å; T53-V55 VanDerWaalsContact C-N 3.31Å; T53-V55 PolarHBondContact O-N 3.43Å; V55-G57 PolarHBondContact O-N 2.68Å; V55-G57 VanDerWaalsContact O-N 3.17Å
56	N	90.6	Very high	89.1	Confident	59 Å²	59	88.2 Å²	88.2	32%	0.316	50%	0.497	S	S	.	.	S	Bend	trans	-74.9	-7.3	-168.1	-59.2	-26.3	0	0	0	114.9	L52 V58 Q132	L52-N56 VanDerWaalsContact CB-ND2 3.28Å; L52-N56 WeakPolarHBondContact CB-ND2 3.33Å; L52-N56 PolarHBondContact O-N 3.12Å; L52-N56 PolarHBondContact O-ND2 3.16Å; L52-N56 PolarHBondContact O-OD1 2.74Å; N56-V58 HydrophobicContact CB-CG2 4.42Å; N56-V58 PolarHBondContact O-N 2.96Å; N56-V58 VanDerWaalsContact O-N 3.15Å; N56-Q132 PolarHBondContact ND2-NE2 3.34Å; N56-Q132 VanDerWaalsContact ND2-NE2 3.19Å; N56-Q132 PolarHBondContact ND2-OE1 2.94Å
57	G	92.3	Very high	89.4	Confident	70 Å²	70	91.3 Å²	91.3	72%	0.722	50%	0.497	S	S	*	.			trans	70.6	6	174.8	0	0	0	0	0	115.6	V55	V55-G57 PolarHBondContact O-N 2.68Å; V55-G57 VanDerWaalsContact O-N 3.17Å
58	V	92.1	Very high	90	Very high	39 Å²	39	85.3 Å²	85.3	24%	0.236	46%	0.459	C	S	.	.			trans	-73.5	131.8	177.4	-178.7	0	0	0	0	109.5	N56 H62 Q63	N56-V58 HydrophobicContact CB-CG2 4.42Å; N56-V58 PolarHBondContact O-N 2.96Å; N56-V58 VanDerWaalsContact O-N 3.15Å; V58-H62 HydrophobicContact CG1-CB 3.69Å; V58-Q63 HydrophobicContact CB-CG 4.05Å; V58-Q63 HydrophobicContact CG1-CG 3.81Å; V58-Q63 PolarHBondContact O-NE2 3.34Å
59	P	92.9	Very high	90.8	Very high	75 Å²	75	82.6 Å²	82.6	49%	0.487	44%	0.439	S	S	.	.			trans	-60.7	147.3	174.9	-23.9	33.9	0	0	0	112.5	E61 H62 Q63	P59-E61 PolarHBondContact O-N 3.19Å; P59-E61 VanDerWaalsContact O-N 3.16Å; P59-H62 PolarHBondContact O-N 3.01Å; P59-Q63 PolarHBondContact O-N 2.93Å
60	K	91.1	Very high	91.6	Very high	178 Å²	178	73.7 Å²	73.7	77%	0.774	40%	0.397	S	S	*	.	H	α-helix	trans	-54.6	-37.5	-178.3	-68.3	-175.7	178.3	-177.3	0	113.2	H62 Q63 S64	K60-H62 PolarHBondContact O-N 2.91Å; K60-Q63 PolarHBondContact O-N 3.05Å; K60-S64 PolarHBondContact O-N 2.74Å; K60-S64 VanDerWaalsContact O-N 3.17Å; K60-S64 PolarHBondContact O-OG 2.79Å
61	E	90.9	Very high	92.1	Very high	122 Å²	122	69.2 Å²	69.2	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-52.6	-39.1	175.9	-62.4	174.6	-167.3	0	0	112.3	P59 E65	P59-E61 PolarHBondContact O-N 3.19Å; P59-E61 VanDerWaalsContact O-N 3.16Å; E61-E65 VanDerWaalsContact O-CB 3.28Å; E61-E65 WeakPolarHBondContact O-CB 3.47Å; E61-E65 WeakPolarHBondContact O-CG 3.23Å
62	H	92	Very high	92.4	Very high	22 Å²	22	67 Å²	67	10%	0.102	36%	0.36	C	S	.	.	H	α-helix	trans	-86.4	-17.8	-179.4	-70.7	-61.9	0	0	0	113.8	V58 P59 K60 R66 R95 P111 L112	V58-H62 HydrophobicContact CG1-CB 3.69Å; P59-H62 PolarHBondContact O-N 3.01Å; K60-H62 PolarHBondContact O-N 2.91Å; H62-R66 PolarHBondContact ND1-NH1 3.06Å; H62-R66 WeakPolarHBondContact O-CG 3.34Å; H62-R95 PolarHBondContact CE1-NH1 3.03Å; H62-P111 VanDerWaalsContact CE1-CD 3.48Å; H62-P111 WeakPolarHBondContact CE1-CD 3.41Å; H62-L112 HydrophobicContact CB-CD1 3.79Å
63	Q	90.1	Very high	92.7	Very high	30 Å²	30	65.4 Å²	65.4	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-81.9	-51.8	179.5	-62.8	-174.6	25	0	0	111.6	V58 P59 K60 P135	V58-Q63 HydrophobicContact CB-CG 4.05Å; V58-Q63 HydrophobicContact CG1-CG 3.81Å; V58-Q63 PolarHBondContact O-NE2 3.34Å; P59-Q63 PolarHBondContact O-N 2.93Å; K60-Q63 PolarHBondContact O-N 3.05Å; Q63-P135 WeakPolarHBondContact O-CD 3.41Å
64	S	85.7	Confident	92.8	Very high	88 Å²	88	68.4 Å²	68.4	62%	0.615	38%	0.381	S	S	*	.	H	α-helix	trans	-90.6	-32.1	-170.4	55.1	0	0	0	0	114.5	K60	K60-S64 PolarHBondContact O-N 2.74Å; K60-S64 VanDerWaalsContact O-N 3.17Å; K60-S64 PolarHBondContact O-OG 2.79Å
65	E	89.8	Confident	93	Very high	117 Å²	117	66.7 Å²	66.7	55%	0.547	36%	0.363	S	S	.	.	S	Bend	trans	-82.6	-22.7	-173.4	-57.4	178	170.3	0	0	113.2	E61 R95	E61-E65 VanDerWaalsContact O-CB 3.28Å; E61-E65 WeakPolarHBondContact O-CB 3.47Å; E61-E65 WeakPolarHBondContact O-CG 3.23Å; E65-R95 IonicContact OE2-NH2 3.58Å; E65-R95 PolarHBondContact OE2-NH2 2.93Å
66	R	91.3	Very high	93.1	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	35%	0.349	C	S	.	.			trans	-87.7	132.7	-173.6	-52.1	-56.1	-74.8	-96.5	-9.1	109.9	H62 D93 R95 D110 W134 P135	H62-R66 PolarHBondContact ND1-NH1 3.06Å; H62-R66 WeakPolarHBondContact O-CG 3.34Å; R66-D93 IonicContact CZ-OD1 2.75Å; R66-D93 IonicContact NE-OD1 2.73Å; R66-D93 PolarHBondContact NE-OD1 3.4Å; R66-D93 PolarHBondContact NH2-O 3.41Å; R66-D93 IonicContact NH2-OD1 3.93Å; R66-R95 VanDerWaalsContact CD-NH2 3.28Å; R66-R95 VanDerWaalsContact CZ-NE 3.33Å; R66-D110 IonicContact CZ-OD1 2.76Å; R66-D110 VanDerWaalsContact CZ-OD1 3.32Å; R66-D110 IonicContact CZ-OD2 2.71Å; R66-D110 IonicContact NH1-OD1 3.74Å; R66-D110 PolarHBondContact NH1-OD1 3.06Å; R66-D110 IonicContact NH1-OD2 3.63Å; R66-D110 IonicContact NH2-OD1 2.95Å; R66-D110 PolarHBondContact NH2-OD1 3.39Å; R66-D110 IonicContact NH2-OD2 3.63Å; R66-D110 PolarHBondContact NH2-OD2 2.76Å; R66-W134 HydrophobicContact CB-CE3 4.37Å; R66-W134 HydrophobicContact CB-CZ3 4.42Å; R66-P135 VanDerWaalsContact O-CD 3.29Å; R66-P135 WeakPolarHBondContact O-CD 3.39Å; R66-P135 WeakPolarHBondContact O-CG 3.36Å
67	R	93.6	Very high	93.3	Very high	164 Å²	164	66.2 Å²	66.2	62%	0.619	37%	0.374	S	S	*	.			trans	-95.1	139.4	171	-70.4	-178.8	-67.5	-140.9	-3.3	110.3	D93	R67-D93 PolarHBondContact O-N 2.92Å
68	V	96.2	Very high	93.5	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.6	-177.8	-168.7	0	0	0	0	109.7	I90 F92 W134 P135 C136 Y137	V68-I90 HydrophobicContact CG1-CB 4.48Å; V68-I90 HydrophobicContact CG1-CG2 3.18Å; V68-F92 HydrophobicContact CB-CD1 4.35Å; V68-F92 HydrophobicContact CB-CE1 4.21Å; V68-F92 HydrophobicContact CG1-CD1 4.21Å; V68-F92 HydrophobicContact CG1-CE1 3.83Å; V68-F92 HydrophobicContact CG2-CD1 3.74Å; V68-F92 HydrophobicContact CG2-CE1 3.49Å; V68-F92 VanDerWaalsContact CG2-CE1 3.49Å; V68-W134 HydrophobicContact CG2-CB 3.45Å; V68-W134 VanDerWaalsContact CG2-CB 3.45Å; V68-W134 HydrophobicContact CG2-CD2 4.2Å; V68-W134 HydrophobicContact CG2-CE3 3.73Å; V68-W134 HydrophobicContact CG2-CG 4.17Å; V68-P135 PolarHBondContact N-O 2.85Å; V68-C136 HydrophobicContact CB-CB 3.88Å; V68-C136 HydrophobicContact CG1-CB 4.41Å; V68-C136 CarbonylContact O-C 3.6Å; V68-C136 VanDerWaalsContact O-CA 3.28Å; V68-C136 WeakPolarHBondContact O-CA 3.28Å; V68-Y137 WeakPolarHBondContact O-CD1 3.24Å; V68-Y137 PolarHBondContact O-N 2.78Å
69	R	96.4	Very high	93.7	Very high	78 Å²	78	73.5 Å²	73.5	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.8	174.8	-175.3	175.2	67.7	161.5	-5.6	109.7	F71 I90 E91 Y137 E139	R69-F71 HydrophobicContact CB-CD1 4.46Å; R69-F71 HydrophobicContact CG-CB 4.28Å; R69-F71 HydrophobicContact CG-CD1 3.77Å; R69-F71 HydrophobicContact CG-CG 4.25Å; R69-I90 WeakPolarHBondContact O-CA 3.33Å; R69-E91 IonicContact CZ-OE2 3.2Å; R69-E91 PolarHBondContact N-O 3.05Å; R69-E91 IonicContact NE-OE2 2.72Å; R69-E91 IonicContact NH2-OE2 2.9Å; R69-E91 PolarHBondContact NH2-OE2 3.24Å; R69-E91 PolarHBondContact O-N 3.17Å; R69-Y137 HydrophobicContact CB-CE1 4.07Å; R69-Y137 HydrophobicContact CB-CE2 4.39Å; R69-Y137 WeakPolarHBondContact CD-OH 3.33Å; R69-Y137 HydrophobicContact CG-CE1 4.46Å; R69-Y137 HydrophobicContact CG-CE2 3.9Å; R69-E139 IonicContact NH1-OE2 3.06Å
70	I	97.6	Very high	93.8	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.5	171.5	-58	173	0	0	0	107.9	W88 R89 I90 A125 E126 C136 Y137 V138 E139	I70-W88 HydrophobicContact CG2-CE3 3.74Å; I70-W88 HydrophobicContact CG2-CZ3 4.2Å; I70-R89 WeakPolarHBondContact CA-O 3.12Å; I70-I90 HydrophobicContact CG1-CG1 4.27Å; I70-A125 HydrophobicContact CD1-CB 4.16Å; I70-A125 HydrophobicContact CG1-CB 4.38Å; I70-A125 HydrophobicContact CG2-CB 3.72Å; I70-E126 HydrophobicContact CD1-CB 4.46Å; I70-E126 HydrophobicContact CD1-CG 3.85Å; I70-C136 HydrophobicContact CD1-CB 3.8Å; I70-C136 HydrophobicContact CG1-CB 4.27Å; I70-Y137 PolarHBondContact N-O 3.37Å; I70-V138 HydrophobicContact CB-CG2 4.18Å; I70-V138 HydrophobicContact CD1-CG2 4.08Å; I70-V138 HydrophobicContact CG2-CG1 4.45Å; I70-V138 HydrophobicContact CG2-CG2 4.42Å; I70-E139 PolarHBondContact O-N 3.04Å
71	F	97.1	Very high	93.9	Very high	16 Å²	16	69.1 Å²	69.1	7%	0.07	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.7	-175.1	73.7	-67.8	0	0	0	112.5	R69 P73 R89 E91 E139	R69-F71 HydrophobicContact CB-CD1 4.46Å; R69-F71 HydrophobicContact CG-CB 4.28Å; R69-F71 HydrophobicContact CG-CD1 3.77Å; R69-F71 HydrophobicContact CG-CG 4.25Å; F71-P73 HydrophobicContact CE2-CB 4.14Å; F71-R89 HydrophobicContact CE1-CB 4.14Å; F71-R89 PolarHBondContact N-O 2.71Å; F71-R89 PolarHBondContact O-N 3.06Å; F71-E91 HydrophobicContact CE1-CB 4.01Å; F71-E91 HydrophobicContact CE1-CG 3.75Å; F71-E91 VanDerWaalsContact CE1-OE2 3.28Å; F71-E91 WeakPolarHBondContact CE1-OE2 3.35Å; F71-E91 HydrophobicContact CZ-CG 4.21Å; F71-E91 WeakPolarHBondContact CZ-OE1 3.27Å; F71-E91 WeakPolarHBondContact CZ-OE2 3.46Å; F71-E139 HydrophobicContact CB-CB 3.8Å
72	I	96.3	Very high	94	Very high	44 Å²	44	66.7 Å²	66.7	23%	0.226	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-93.5	125.5	166.1	-60.7	-173.9	0	0	0	107.8	A74 T85 W88 P141	I72-A74 PolarHBondContact O-N 2.79Å; I72-T85 VanDerWaalsContact CG2-O 3.24Å; I72-T85 WeakPolarHBondContact CG2-O 3.3Å; I72-W88 HydrophobicContact CD1-CD2 4.27Å; I72-W88 HydrophobicContact CD1-CZ2 3.92Å; I72-W88 HydrophobicContact CG1-CD2 3.68Å; I72-W88 HydrophobicContact CG1-CE3 3.97Å; I72-W88 HydrophobicContact CG1-CG 4.14Å; I72-W88 HydrophobicContact CG1-CH2 4.31Å; I72-W88 HydrophobicContact CG1-CZ2 4Å; I72-W88 HydrophobicContact CG1-CZ3 4.28Å; I72-P141 HydrophobicContact CD1-CB 3.65Å; I72-P141 HydrophobicContact CG1-CB 4.19Å
73	P	95.5	Very high	94.1	Very high	18 Å²	18	72.3 Å²	72.3	12%	0.117	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-62.3	137.6	-179.5	28.1	-36.2	0	0	0	111.1	F71 G84 T85 L87 R89	F71-P73 HydrophobicContact CE2-CB 4.14Å; P73-G84 VanDerWaalsContact CG-O 3.28Å; P73-G84 WeakPolarHBondContact CG-O 3.43Å; P73-T85 WeakPolarHBondContact O-CG2 3.36Å; P73-L87 WeakPolarHBondContact CD-O 3.09Å; P73-R89 HydrophobicContact CG-CG 4.39Å
74	A	94.2	Very high	94.2	Very high	93 Å²	93	73.1 Å²	73.1	77%	0.769	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-66.6	144.8	177.2	0	0	0	0	0	110.9	I72	I72-A74 PolarHBondContact O-N 2.79Å
75	K	94	Very high	94.6	Very high	70 Å²	70	71.1 Å²	71.1	30%	0.304	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-62.1	132.5	172.8	-170.9	-174.9	65.3	61.1	0	109.6	A77 Q79 G81 T82 T85	K75-A77 PolarHBondContact O-N 2.96Å; K75-Q79 PolarHBondContact NZ-O 2.87Å; K75-G81 VanDerWaalsContact CD-O 3.28Å; K75-G81 WeakPolarHBondContact CD-O 3.28Å; K75-G81 VanDerWaalsContact CG-O 3.23Å; K75-G81 WeakPolarHBondContact CG-O 3.35Å; K75-T82 HydrophobicContact CD-CG2 3.98Å; K75-T85 HydrophobicContact CB-CG2 3.83Å
76	P	95.1	Very high	94.7	Very high	65 Å²	65	73.1 Å²	73.1	42%	0.422	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-56.1	135.7	171.8	23.1	-33.1	0	0	0	110.5	T78 Q79	P76-T78 VanDerWaalsContact C-N 3.25Å; P76-T78 PolarHBondContact O-N 3.32Å; P76-Q79 HydrophobicContact CG-CB 4.18Å; P76-Q79 HydrophobicContact CG-CG 4.49Å; P76-Q79 PolarHBondContact O-N 3.36Å
77	A	94.4	Very high	95	Very high	100 Å²	100	76.1 Å²	76.1	83%	0.826	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.5	-177.6	0	0	0	0	0	112.4	K75	K75-A77 PolarHBondContact O-N 2.96Å
78	T	97.4	Very high	95.2	Very high	133 Å²	133	69.6 Å²	69.6	82%	0.816	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.4	-178	52.5	0	0	0	0	114.2	P76	P76-T78 VanDerWaalsContact C-N 3.25Å; P76-T78 PolarHBondContact O-N 3.32Å
79	Q	95.7	Very high	95.2	Very high	129 Å²	129	73 Å²	73	60%	0.603	42%	0.423	S	S	*	.			trans	-122	150.3	-179.2	-55.6	-177.4	28.8	0	0	111	K75 P76	K75-Q79 PolarHBondContact NZ-O 2.87Å; P76-Q79 HydrophobicContact CG-CB 4.18Å; P76-Q79 HydrophobicContact CG-CG 4.49Å; P76-Q79 PolarHBondContact O-N 3.36Å
80	S	94.7	Very high	95.2	Very high	115 Å²	115	69.3 Å²	69.3	80%	0.804	41%	0.409	S	S	*	.			trans	-90.3	-13	178.4	55.6	0	0	0	0	114.2
81	G	93.5	Very high	95.1	Very high	46 Å²	46	71.8 Å²	71.8	47%	0.474	42%	0.421	S	S	.	.			trans	-68.2	137	-176.2	0	0	0	0	0	113.9	K75	K75-G81 VanDerWaalsContact CD-O 3.28Å; K75-G81 WeakPolarHBondContact CD-O 3.28Å; K75-G81 VanDerWaalsContact CG-O 3.23Å; K75-G81 WeakPolarHBondContact CG-O 3.35Å
82	T	93.6	Very high	95	Very high	70 Å²	70	72.7 Å²	72.7	43%	0.429	43%	0.425	S	S	.	.			trans	-108.5	9.2	-177.1	52.9	0	0	0	0	113.8	K75 G84 T85	K75-T82 HydrophobicContact CD-CG2 3.98Å; T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 2.88Å; T82-T85 PolarHBondContact O-N 3.39Å; T82-T85 PolarHBondContact O-OG1 3.12Å
83	H	93.7	Very high	94.9	Very high	141 Å²	141	73 Å²	73	65%	0.653	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-62.2	-36.8	-175.8	-174.3	71	0	0	0	112.8	T85 R86	H83-T85 VanDerWaalsContact C-N 3.28Å; H83-T85 PolarHBondContact O-N 3.37Å; H83-R86 PolarHBondContact ND1-NH1 3.14Å; H83-R86 WeakPolarHBondContact O-CD 3.11Å; H83-R86 WeakPolarHBondContact O-CG 3.09Å
84	G	92.1	Very high	94.8	Very high	47 Å²	47	77.8 Å²	77.8	49%	0.485	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-71.4	-14.5	-180	0	0	0	0	0	115.2	P73 T82 R86	P73-G84 VanDerWaalsContact CG-O 3.28Å; P73-G84 WeakPolarHBondContact CG-O 3.43Å; T82-G84 VanDerWaalsContact C-N 3.29Å; T82-G84 PolarHBondContact O-N 2.88Å; G84-R86 VanDerWaalsContact C-N 3.3Å; G84-R86 PolarHBondContact O-N 3.36Å
85	T	93.6	Very high	94.7	Very high	46 Å²	46	77.1 Å²	77.1	28%	0.282	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-94.1	22.6	-175.8	70.4	0	0	0	0	112.9	I72 P73 K75 T82 H83	I72-T85 VanDerWaalsContact CG2-O 3.24Å; I72-T85 WeakPolarHBondContact CG2-O 3.3Å; P73-T85 WeakPolarHBondContact O-CG2 3.36Å; K75-T85 HydrophobicContact CB-CG2 3.83Å; T82-T85 PolarHBondContact O-N 3.39Å; T82-T85 PolarHBondContact O-OG1 3.12Å; H83-T85 VanDerWaalsContact C-N 3.28Å; H83-T85 PolarHBondContact O-N 3.37Å
86	R	93.5	Very high	94.8	Very high	159 Å²	159	80.8 Å²	80.8	60%	0.6	45%	0.447	S	S	*	.	S	Bend	trans	-97.3	-36.3	-174.6	-66.8	177.4	179.9	-173.4	-1.1	112.9	H83 G84	H83-R86 PolarHBondContact ND1-NH1 3.14Å; H83-R86 WeakPolarHBondContact O-CD 3.11Å; H83-R86 WeakPolarHBondContact O-CG 3.09Å; G84-R86 VanDerWaalsContact C-N 3.3Å; G84-R86 PolarHBondContact O-N 3.36Å
87	L	96.4	Very high	94.9	Very high	63 Å²	63	82.9 Å²	82.9	33%	0.33	45%	0.447	S	S	.	.	S	Bend	trans	-97.5	145.4	-174.7	-59.8	175.6	0	0	0	110	P73 E118 F119	P73-L87 WeakPolarHBondContact CD-O 3.09Å; L87-E118 HydrophobicContact CB-CB 4.32Å; L87-E118 HydrophobicContact CD1-CB 4.09Å; L87-E118 WeakPolarHBondContact CD1-OE2 3.28Å; L87-F119 WeakPolarHBondContact CA-O 3.37Å
88	W	97.2	Very high	95	Very high	28 Å²	28	84 Å²	84	11%	0.106	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.8	167.5	-72.4	83.9	0	0	0	109.1	I70 I72 E118 F119 V138 P141	I70-W88 HydrophobicContact CG2-CE3 3.74Å; I70-W88 HydrophobicContact CG2-CZ3 4.2Å; I72-W88 HydrophobicContact CD1-CD2 4.27Å; I72-W88 HydrophobicContact CD1-CZ2 3.92Å; I72-W88 HydrophobicContact CG1-CD2 3.68Å; I72-W88 HydrophobicContact CG1-CE3 3.97Å; I72-W88 HydrophobicContact CG1-CG 4.14Å; I72-W88 HydrophobicContact CG1-CH2 4.31Å; I72-W88 HydrophobicContact CG1-CZ2 4Å; I72-W88 HydrophobicContact CG1-CZ3 4.28Å; W88-E118 CarbonylContact O-C 3.58Å; W88-E118 VanDerWaalsContact O-CA 3.27Å; W88-E118 WeakPolarHBondContact O-CA 3.44Å; W88-F119 HydrophobicContact CB-CB 4.19Å; W88-F119 PolarHBondContact N-O 2.66Å; W88-F119 PolarHBondContact O-N 2.9Å; W88-V138 HydrophobicContact CH2-CG1 4.24Å; W88-V138 HydrophobicContact CZ3-CG1 3.91Å; W88-P141 HydrophobicContact CH2-CB 4.36Å; W88-P141 HydrophobicContact CH2-CG 4.22Å; W88-P141 HydrophobicContact CZ2-CB 4.38Å; W88-P141 HydrophobicContact CZ2-CG 4.2Å
89	R	96.8	Very high	95	Very high	71 Å²	71	84.7 Å²	84.7	27%	0.268	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.3	178.1	-70.7	-171.5	173.8	178.3	-0.5	110.6	I70 F71 P73 V116 V117 E118	I70-R89 WeakPolarHBondContact CA-O 3.12Å; F71-R89 HydrophobicContact CE1-CB 4.14Å; F71-R89 PolarHBondContact N-O 2.71Å; F71-R89 PolarHBondContact O-N 3.06Å; P73-R89 HydrophobicContact CG-CG 4.39Å; R89-V116 HydrophobicContact CB-CG1 4.39Å; R89-V116 HydrophobicContact CG-CG1 4.21Å; R89-V117 WeakPolarHBondContact CA-O 3.12Å; R89-E118 HydrophobicContact CG-CG 4.22Å; R89-E118 IonicContact CZ-OE1 3.66Å; R89-E118 IonicContact NE-OE1 3.32Å; R89-E118 PolarHBondContact NE-OE1 3.32Å; R89-E118 IonicContact NH2-OE1 2.66Å; R89-E118 PolarHBondContact NH2-OE1 3.22Å
90	I	96.9	Very high	95.1	Very high	2 Å²	2	80.4 Å²	80.4	1%	0.01	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.8	167.4	-62.1	-167	0	0	0	107.6	V68 R69 I70 F92 V117 F119 A125 F128	V68-I90 HydrophobicContact CG1-CB 4.48Å; V68-I90 HydrophobicContact CG1-CG2 3.18Å; R69-I90 WeakPolarHBondContact O-CA 3.33Å; I70-I90 HydrophobicContact CG1-CG1 4.27Å; I90-F92 HydrophobicContact CG2-CE1 4.45Å; I90-F92 HydrophobicContact CG2-CZ 4.42Å; I90-V117 HydrophobicContact CB-CB 4.38Å; I90-V117 PolarHBondContact N-O 2.73Å; I90-V117 PolarHBondContact O-N 2.95Å; I90-F119 HydrophobicContact CB-CE2 4.29Å; I90-F119 HydrophobicContact CD1-CD2 3.83Å; I90-F119 HydrophobicContact CD1-CE2 3.11Å; I90-F119 HydrophobicContact CD1-CZ 3.7Å; I90-F119 HydrophobicContact CG1-CD2 3.77Å; I90-F119 HydrophobicContact CG1-CE2 3.44Å; I90-F119 VanDerWaalsContact CG1-CE2 3.44Å; I90-F119 HydrophobicContact CG1-CZ 4.47Å; I90-A125 HydrophobicContact CD1-CB 3.94Å; I90-A125 HydrophobicContact CG1-CB 4.05Å; I90-F128 HydrophobicContact CD1-CD1 3.81Å
91	E	95.7	Very high	95.2	Very high	52 Å²	52	81.2 Å²	81.2	24%	0.243	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.3	172.1	-75.4	178.2	-179.1	0	0	110.4	R69 F71 V116	R69-E91 IonicContact CZ-OE2 3.2Å; R69-E91 PolarHBondContact N-O 3.05Å; R69-E91 IonicContact NE-OE2 2.72Å; R69-E91 IonicContact NH2-OE2 2.9Å; R69-E91 PolarHBondContact NH2-OE2 3.24Å; R69-E91 PolarHBondContact O-N 3.17Å; F71-E91 HydrophobicContact CE1-CB 4.01Å; F71-E91 HydrophobicContact CE1-CG 3.75Å; F71-E91 VanDerWaalsContact CE1-OE2 3.28Å; F71-E91 WeakPolarHBondContact CE1-OE2 3.35Å; F71-E91 HydrophobicContact CZ-CG 4.21Å; F71-E91 WeakPolarHBondContact CZ-OE1 3.27Å; F71-E91 WeakPolarHBondContact CZ-OE2 3.46Å; E91-V116 HydrophobicContact CG-CG2 4.33Å
92	F	95.1	Very high	95.4	Very high	34 Å²	34	86 Å²	86	15%	0.149	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	161.5	173	-58.9	-61.1	0	0	0	111.3	V68 I90 L112 T115 W134	V68-F92 HydrophobicContact CB-CD1 4.35Å; V68-F92 HydrophobicContact CB-CE1 4.21Å; V68-F92 HydrophobicContact CG1-CD1 4.21Å; V68-F92 HydrophobicContact CG1-CE1 3.83Å; V68-F92 HydrophobicContact CG2-CD1 3.74Å; V68-F92 HydrophobicContact CG2-CE1 3.49Å; V68-F92 VanDerWaalsContact CG2-CE1 3.49Å; I90-F92 HydrophobicContact CG2-CE1 4.45Å; I90-F92 HydrophobicContact CG2-CZ 4.42Å; F92-L112 HydrophobicContact CD2-CB 3.87Å; F92-L112 HydrophobicContact CE2-CB 4.42Å; F92-L112 HydrophobicContact CE2-CD2 4.39Å; F92-L112 HydrophobicContact CG-CB 4.36Å; F92-T115 WeakPolarHBondContact CD2-OG1 3.21Å; F92-T115 WeakPolarHBondContact CE2-OG1 3.29Å; F92-W134 AromaticContact CD1-CE3 3.52Å; F92-W134 HydrophobicContact CD1-CE3 3.52Å; F92-W134 HydrophobicContact CD1-CH2 4.19Å; F92-W134 AromaticContact CD1-CZ3 3.21Å; F92-W134 HydrophobicContact CD1-CZ3 3.21Å; F92-W134 HydrophobicContact CD2-CH2 4.48Å; F92-W134 HydrophobicContact CD2-CZ3 4.16Å; F92-W134 AromaticContact CE1-CD2 3.86Å; F92-W134 HydrophobicContact CE1-CD2 3.86Å; F92-W134 AromaticContact CE1-CE3 2.98Å; F92-W134 HydrophobicContact CE1-CE3 2.98Å; F92-W134 AromaticContact CE1-CH2 3.55Å; F92-W134 HydrophobicContact CE1-CH2 3.55Å; F92-W134 HydrophobicContact CE1-CZ2 4.38Å; F92-W134 AromaticContact CE1-CZ3 2.81Å; F92-W134 HydrophobicContact CE1-CZ3 2.81Å; F92-W134 AromaticContact CE2-CH2 3.81Å; F92-W134 HydrophobicContact CE2-CH2 3.81Å; F92-W134 AromaticContact CE2-CZ3 3.8Å; F92-W134 HydrophobicContact CE2-CZ3 3.8Å; F92-W134 AromaticContact CG-CZ3 3.9Å; F92-W134 HydrophobicContact CG-CZ3 3.9Å; F92-W134 HydrophobicContact CZ-CD2 4.29Å; F92-W134 AromaticContact CZ-CE3 3.65Å; F92-W134 HydrophobicContact CZ-CE3 3.65Å; F92-W134 AromaticContact CZ-CH2 3.29Å; F92-W134 HydrophobicContact CZ-CH2 3.29Å; F92-W134 HydrophobicContact CZ-CZ2 4.06Å; F92-W134 AromaticContact CZ-CZ3 3.12Å; F92-W134 HydrophobicContact CZ-CZ3 3.12Å
93	D	93.8	Very high	95.6	Very high	50 Å²	50	88 Å²	88	27%	0.267	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.5	138.1	169.9	60.4	-16.9	0	0	0	111.7	R66 R67 R95	R66-D93 IonicContact CZ-OD1 2.75Å; R66-D93 IonicContact NE-OD1 2.73Å; R66-D93 PolarHBondContact NE-OD1 3.4Å; R66-D93 PolarHBondContact NH2-O 3.41Å; R66-D93 IonicContact NH2-OD1 3.93Å; R67-D93 PolarHBondContact O-N 2.92Å; D93-R95 PolarHBondContact O-N 3.02Å
94	N	92.3	Very high	95.7	Very high	119 Å²	119	83.1 Å²	83.1	64%	0.636	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-74.4	120	176.7	-79.2	-56.8	0	0	0	109.9	R97	N94-R97 PolarHBondContact OD1-NH1 3.28Å
95	R	93.3	Very high	96	Very high	79 Å²	79	89 Å²	89	30%	0.298	42%	0.422	S	S	.	.			trans	-84.8	176.4	167.4	-73.8	-168.3	173.2	177.2	-6.9	111.7	H62 E65 R66 D93 D110	H62-R95 PolarHBondContact CE1-NH1 3.03Å; E65-R95 IonicContact OE2-NH2 3.58Å; E65-R95 PolarHBondContact OE2-NH2 2.93Å; R66-R95 VanDerWaalsContact CD-NH2 3.28Å; R66-R95 VanDerWaalsContact CZ-NE 3.33Å; D93-R95 PolarHBondContact O-N 3.02Å; R95-D110 HydrophobicContact CB-CB 4.06Å
96	E	95.1	Very high	96.1	Very high	148 Å²	148	90.7 Å²	90.7	69%	0.692	44%	0.441	S	S	*	.			trans	-55.9	137.9	179.4	-172.3	175.5	-170.4	0	0	112.3	S108	E96-S108 PolarHBondContact O-OG 2.77Å
97	R	97	Very high	96.3	Very high	109 Å²	109	84.7 Å²	84.7	41%	0.411	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.9	167.3	-66.4	-177.1	169.9	87.9	-9.5	106.9	N94 S107	N94-R97 PolarHBondContact OD1-NH1 3.28Å; R97-S107 CarbonylContact C-O 3.57Å; R97-S107 VanDerWaalsContact CA-O 3.28Å; R97-S107 WeakPolarHBondContact CA-O 3.32Å
98	W	97.2	Very high	96.3	Very high	123 Å²	123	83.9 Å²	83.9	47%	0.466	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	161	-178.4	65	91.9	0	0	0	111.1	A106 S107 S108 G109	W98-A106 CarbonylContact O-C 3.59Å; W98-S107 PolarHBondContact N-O 3.4Å; W98-S107 PolarHBondContact O-N 3.02Å; W98-S108 VanDerWaalsContact CH2-C 3.47Å; W98-G109 VanDerWaalsContact CZ3-N 3.3Å
99	E	97.8	Very high	96.1	Very high	148 Å²	148	85.4 Å²	85.4	69%	0.692	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.7	177.5	-171.8	176.1	175.9	0	0	110.9
100	N	97	Very high	96	Very high	39 Å²	39	82.5 Å²	82.5	21%	0.209	44%	0.438	C	S	.	.			trans	-68.8	120.6	172.2	178.5	-10.1	0	0	0	109.3	L102 M103 G104 W105	N100-L102 PolarHBondContact O-N 2.92Å; N100-L102 PolarHBondContact OD1-N 3.48Å; N100-L102 VanDerWaalsContact OD1-N 3.12Å; N100-M103 PolarHBondContact O-N 3.43Å; N100-G104 WeakPolarHBondContact O-CA 3.31Å; N100-G104 PolarHBondContact O-N 3.27Å; N100-W105 HydrophobicContact CB-CB 4.22Å; N100-W105 WeakPolarHBondContact CB-O 3.21Å; N100-W105 PolarHBondContact N-O 3.15Å
101	P	97.2	Very high	95.9	Very high	132 Å²	132	86.5 Å²	86.5	86%	0.857	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.5	-174.2	24.8	-35.9	0	0	0	114.7
102	L	96.9	Very high	95.8	Very high	146 Å²	146	85.2 Å²	85.2	76%	0.764	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-47.4	-178.9	-177.4	62.9	0	0	0	113	N100	N100-L102 PolarHBondContact O-N 2.92Å; N100-L102 PolarHBondContact OD1-N 3.48Å; N100-L102 VanDerWaalsContact OD1-N 3.12Å
103	M	98.2	Very high	95.7	Very high	112 Å²	112	84.7 Å²	84.7	55%	0.552	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-11	-169.1	-62.9	-57.7	-62.3	0	0	114.5	N100 W105	N100-M103 PolarHBondContact O-N 3.43Å; M103-W105 HydrophobicContact CB-CD2 3.97Å; M103-W105 HydrophobicContact CB-CE3 4.45Å; M103-W105 HydrophobicContact CB-CG 4.19Å; M103-W105 HydrophobicContact CB-CZ2 4.36Å; M103-W105 HydrophobicContact CE-CZ2 4.4Å; M103-W105 HydrophobicContact CG-CZ2 4.4Å
104	G	96.8	Very high	95.7	Very high	38 Å²	38	88.7 Å²	88.7	39%	0.392	48%	0.48	S	S	.	.			trans	78.4	11.7	-176.3	0	0	0	0	0	115.2	N100	N100-G104 WeakPolarHBondContact O-CA 3.31Å; N100-G104 PolarHBondContact O-N 3.27Å
105	W	97.9	Very high	95.8	Very high	171 Å²	171	85.6 Å²	85.6	65%	0.648	47%	0.465	S	S	*	.			trans	-73.8	147.3	178.6	-62.8	-19.2	0	0	0	112.8	N100 M103 S107	N100-W105 HydrophobicContact CB-CB 4.22Å; N100-W105 WeakPolarHBondContact CB-O 3.21Å; N100-W105 PolarHBondContact N-O 3.15Å; M103-W105 HydrophobicContact CB-CD2 3.97Å; M103-W105 HydrophobicContact CB-CE3 4.45Å; M103-W105 HydrophobicContact CB-CG 4.19Å; M103-W105 HydrophobicContact CB-CZ2 4.36Å; M103-W105 HydrophobicContact CE-CZ2 4.4Å; M103-W105 HydrophobicContact CG-CZ2 4.4Å; W105-S107 PolarHBondContact O-N 3.02Å
106	A	97	Very high	95.9	Very high	82 Å²	82	85.3 Å²	85.3	68%	0.678	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	97.9	173.2	0	0	0	0	0	110.7	W98	W98-A106 CarbonylContact O-C 3.59Å
107	S	96.8	Very high	95.9	Very high	33 Å²	33	81 Å²	81	23%	0.231	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.8	174.7	-59.3	0	0	0	0	110.5	R97 W98 W105	R97-S107 CarbonylContact C-O 3.57Å; R97-S107 VanDerWaalsContact CA-O 3.28Å; R97-S107 WeakPolarHBondContact CA-O 3.32Å; W98-S107 PolarHBondContact N-O 3.4Å; W98-S107 PolarHBondContact O-N 3.02Å; W105-S107 PolarHBondContact O-N 3.02Å
108	S	95.7	Very high	95.9	Very high	46 Å²	46	80.3 Å²	80.3	32%	0.322	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.4	176.2	-168.1	0	0	0	0	110.5	E96 W98 D110	E96-S108 PolarHBondContact O-OG 2.77Å; W98-S108 VanDerWaalsContact CH2-C 3.47Å; S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact OG-N 2.96Å
109	G	93.9	Very high	95.9	Very high	60 Å²	60	76 Å²	76	62%	0.619	44%	0.442	S	S	*	.			trans	-95.6	12.1	171.8	0	0	0	0	0	112.8	W98 P111	W98-G109 VanDerWaalsContact CZ3-N 3.3Å; G109-P111 WeakPolarHBondContact O-CD 3.12Å
110	D	94.5	Very high	95.9	Very high	10 Å²	10	77 Å²	77	5%	0.053	45%	0.447	C	S	.	.			trans	-104.9	109.5	-171.5	-178.5	20.3	0	0	0	113.1	R66 R95 S108 L112 S113	R66-D110 IonicContact CZ-OD1 2.76Å; R66-D110 VanDerWaalsContact CZ-OD1 3.32Å; R66-D110 IonicContact CZ-OD2 2.71Å; R66-D110 IonicContact NH1-OD1 3.74Å; R66-D110 PolarHBondContact NH1-OD1 3.06Å; R66-D110 IonicContact NH1-OD2 3.63Å; R66-D110 IonicContact NH2-OD1 2.95Å; R66-D110 PolarHBondContact NH2-OD1 3.39Å; R66-D110 IonicContact NH2-OD2 3.63Å; R66-D110 PolarHBondContact NH2-OD2 2.76Å; R95-D110 HydrophobicContact CB-CB 4.06Å; S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact OG-N 2.96Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 3Å; D110-L112 PolarHBondContact OD1-N 3.02Å; D110-L112 VanDerWaalsContact OD1-N 3.14Å; D110-S113 PolarHBondContact O-OG 3.28Å; D110-S113 WeakPolarHBondContact OD2-CA 3.44Å; D110-S113 VanDerWaalsContact OD2-CB 3.3Å; D110-S113 WeakPolarHBondContact OD2-CB 3.28Å; D110-S113 PolarHBondContact OD2-N 3.2Å
111	P	94.1	Very high	95.8	Very high	86 Å²	86	78.5 Å²	78.5	56%	0.558	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.2	-179.5	27.5	-33.3	0	0	0	113.6	H62 G109	H62-P111 VanDerWaalsContact CE1-CD 3.48Å; H62-P111 WeakPolarHBondContact CE1-CD 3.41Å; G109-P111 WeakPolarHBondContact O-CD 3.12Å
112	L	93.8	Very high	95.7	Very high	25 Å²	25	73.9 Å²	73.9	13%	0.131	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	0.5	-173.5	-62.7	168.2	0	0	0	113	H62 F92 D110 N114 T115 W134	H62-L112 HydrophobicContact CB-CD1 3.79Å; F92-L112 HydrophobicContact CD2-CB 3.87Å; F92-L112 HydrophobicContact CE2-CB 4.42Å; F92-L112 HydrophobicContact CE2-CD2 4.39Å; F92-L112 HydrophobicContact CG-CB 4.36Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 3Å; D110-L112 PolarHBondContact OD1-N 3.02Å; D110-L112 VanDerWaalsContact OD1-N 3.14Å; L112-N114 PolarHBondContact O-N 2.81Å; L112-N114 VanDerWaalsContact O-N 3.12Å; L112-T115 HydrophobicContact CD2-CG2 4.41Å; L112-T115 PolarHBondContact O-N 2.95Å; L112-T115 PolarHBondContact O-OG1 2.75Å; L112-W134 HydrophobicContact CD1-CH2 3.29Å; L112-W134 HydrophobicContact CD1-CZ2 4.4Å; L112-W134 HydrophobicContact CD1-CZ3 3.54Å; L112-W134 HydrophobicContact CD2-CH2 3.77Å; L112-W134 HydrophobicContact CG-CH2 4.09Å
113	S	93.9	Very high	95.7	Very high	23 Å²	23	73.1 Å²	73.1	16%	0.161	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	-174.4	56.6	0	0	0	0	114.6	D110	D110-S113 PolarHBondContact O-OG 3.28Å; D110-S113 WeakPolarHBondContact OD2-CA 3.44Å; D110-S113 VanDerWaalsContact OD2-CB 3.3Å; D110-S113 WeakPolarHBondContact OD2-CB 3.28Å; D110-S113 PolarHBondContact OD2-N 3.2Å
114	N	94.3	Very high	95.7	Very high	133 Å²	133	69.4 Å²	69.4	71%	0.711	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	9.9	-173.3	-58.4	-39.2	0	0	0	113.2	L112	L112-N114 PolarHBondContact O-N 2.81Å; L112-N114 VanDerWaalsContact O-N 3.12Å
115	T	94.3	Very high	95.7	Very high	54 Å²	54	67.6 Å²	67.6	33%	0.331	39%	0.388	S	S	.	.			trans	-87.3	120.6	179.5	52.5	0	0	0	0	110.1	F92 L112	F92-T115 WeakPolarHBondContact CD2-OG1 3.21Å; F92-T115 WeakPolarHBondContact CE2-OG1 3.29Å; L112-T115 HydrophobicContact CD2-CG2 4.41Å; L112-T115 PolarHBondContact O-N 2.95Å; L112-T115 PolarHBondContact O-OG1 2.75Å
116	V	94.6	Very high	95.6	Very high	73 Å²	73	62.2 Å²	62.2	44%	0.442	37%	0.37	S	S	.	.			trans	-125.2	125.5	173.9	-179.3	0	0	0	0	107.5	R89 E91	R89-V116 HydrophobicContact CB-CG1 4.39Å; R89-V116 HydrophobicContact CG-CG1 4.21Å; E91-V116 HydrophobicContact CG-CG2 4.33Å
117	V	95.5	Very high	95.5	Very high	57 Å²	57	62.3 Å²	62.3	35%	0.345	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	177.8	-171.1	0	0	0	0	108.9	R89 I90 F119	R89-V117 WeakPolarHBondContact CA-O 3.12Å; I90-V117 HydrophobicContact CB-CB 4.38Å; I90-V117 PolarHBondContact N-O 2.73Å; I90-V117 PolarHBondContact O-N 2.95Å; V117-F119 HydrophobicContact CB-CE2 3.81Å; V117-F119 HydrophobicContact CB-CZ 4.4Å; V117-F119 HydrophobicContact CG1-CD2 4.25Å; V117-F119 HydrophobicContact CG1-CE2 3.36Å; V117-F119 HydrophobicContact CG1-CZ 3.58Å
118	E	96.9	Very high	95.4	Very high	95 Å²	95	64.1 Å²	64.1	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.7	-177.1	-53.2	-166.1	137.9	0	0	111.2	L87 W88 R89	L87-E118 HydrophobicContact CB-CB 4.32Å; L87-E118 HydrophobicContact CD1-CB 4.09Å; L87-E118 WeakPolarHBondContact CD1-OE2 3.28Å; W88-E118 CarbonylContact O-C 3.58Å; W88-E118 VanDerWaalsContact O-CA 3.27Å; W88-E118 WeakPolarHBondContact O-CA 3.44Å; R89-E118 HydrophobicContact CG-CG 4.22Å; R89-E118 IonicContact CZ-OE1 3.66Å; R89-E118 IonicContact NE-OE1 3.32Å; R89-E118 PolarHBondContact NE-OE1 3.32Å; R89-E118 IonicContact NH2-OE1 2.66Å; R89-E118 PolarHBondContact NH2-OE1 3.22Å
119	F	97.6	Very high	95.4	Very high	32 Å²	32	62.1 Å²	62.1	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	-179.7	-65.1	-91.9	0	0	0	110.7	L87 W88 I90 V117 A124 A125 F128	L87-F119 WeakPolarHBondContact CA-O 3.37Å; W88-F119 HydrophobicContact CB-CB 4.19Å; W88-F119 PolarHBondContact N-O 2.66Å; W88-F119 PolarHBondContact O-N 2.9Å; I90-F119 HydrophobicContact CB-CE2 4.29Å; I90-F119 HydrophobicContact CD1-CD2 3.83Å; I90-F119 HydrophobicContact CD1-CE2 3.11Å; I90-F119 HydrophobicContact CD1-CZ 3.7Å; I90-F119 HydrophobicContact CG1-CD2 3.77Å; I90-F119 HydrophobicContact CG1-CE2 3.44Å; I90-F119 VanDerWaalsContact CG1-CE2 3.44Å; I90-F119 HydrophobicContact CG1-CZ 4.47Å; V117-F119 HydrophobicContact CB-CE2 3.81Å; V117-F119 HydrophobicContact CB-CZ 4.4Å; V117-F119 HydrophobicContact CG1-CD2 4.25Å; V117-F119 HydrophobicContact CG1-CE2 3.36Å; V117-F119 HydrophobicContact CG1-CZ 3.58Å; F119-A124 HydrophobicContact CD1-CB 4.13Å; F119-A125 HydrophobicContact CB-CB 4.09Å; F119-A125 HydrophobicContact CD1-CB 4.36Å; F119-A125 HydrophobicContact CD2-CB 3.71Å; F119-A125 HydrophobicContact CE2-CB 4.27Å; F119-A125 HydrophobicContact CG-CB 3.79Å; F119-F128 HydrophobicContact CE1-CB 3.77Å; F119-F128 HydrophobicContact CE1-CD2 4.4Å; F119-F128 AromaticContact CE1-CG 3.99Å; F119-F128 HydrophobicContact CE1-CG 3.99Å; F119-F128 HydrophobicContact CE2-CD1 4.41Å; F119-F128 HydrophobicContact CZ-CB 3.72Å; F119-F128 AromaticContact CZ-CD1 3.66Å; F119-F128 HydrophobicContact CZ-CD1 3.66Å; F119-F128 HydrophobicContact CZ-CD2 4.16Å; F119-F128 HydrophobicContact CZ-CE1 4.3Å; F119-F128 AromaticContact CZ-CG 3.57Å; F119-F128 HydrophobicContact CZ-CG 3.57Å
120	E	96.3	Very high	95.3	Very high	169 Å²	169	65.5 Å²	65.5	79%	0.79	35%	0.345	S	S	*	.	S	Bend	trans	-78.2	-32.8	176.5	-62.6	-175.4	165.4	0	0	112.6
121	T	96.5	Very high	95.3	Very high	71 Å²	71	70.1 Å²	70.1	44%	0.436	36%	0.362	S	S	.	.	S	Bend	trans	-130.9	152.7	-176.5	65.8	0	0	0	0	111.3	K123 A124 A125	T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3Å; T121-A124 PolarHBondContact O-N 2.99Å; T121-A124 VanDerWaalsContact OG1-CB 3.31Å; T121-A124 WeakPolarHBondContact OG1-CB 3.4Å; T121-A124 PolarHBondContact OG1-N 3.4Å; T121-A125 PolarHBondContact O-N 3.04Å
122	S	95.3	Very high	95.3	Very high	36 Å²	36	67.4 Å²	67.4	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-40.4	175.1	63	0	0	0	0	111.4	A124 A125 E126	S122-A124 VanDerWaalsContact C-N 3.35Å; S122-A124 PolarHBondContact O-N 3.33Å; S122-A125 WeakPolarHBondContact O-CA 3.47Å; S122-A125 WeakPolarHBondContact O-CB 3.38Å; S122-A125 PolarHBondContact O-N 2.76Å; S122-E126 WeakPolarHBondContact O-CG 3.44Å; S122-E126 PolarHBondContact O-N 3.28Å
123	K	96.4	Very high	95.2	Very high	129 Å²	129	68 Å²	68	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-42.7	-179.5	-163.6	-170.7	-177.5	-129.2	0	112.2	T121 A125 E126 E127	T121-K123 VanDerWaalsContact C-N 3.3Å; T121-K123 PolarHBondContact O-N 3Å; K123-A125 VanDerWaalsContact C-N 3.28Å; K123-A125 PolarHBondContact O-N 3.44Å; K123-E126 PolarHBondContact O-N 3.39Å; K123-E127 WeakPolarHBondContact CE-OE1 3.49Å; K123-E127 HydrophobicContact CG-CG 4.47Å; K123-E127 IonicContact NZ-OE1 3.76Å; K123-E127 PolarHBondContact NZ-OE1 3.47Å; K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 WeakPolarHBondContact O-CG 3.37Å; K123-E127 PolarHBondContact O-N 3.33Å
124	A	96.8	Very high	95.2	Very high	35 Å²	35	68.1 Å²	68.1	29%	0.289	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-36	176	0	0	0	0	0	112.2	F119 T121 S122 F128	F119-A124 HydrophobicContact CD1-CB 4.13Å; T121-A124 PolarHBondContact O-N 2.99Å; T121-A124 VanDerWaalsContact OG1-CB 3.31Å; T121-A124 WeakPolarHBondContact OG1-CB 3.4Å; T121-A124 PolarHBondContact OG1-N 3.4Å; S122-A124 VanDerWaalsContact C-N 3.35Å; S122-A124 PolarHBondContact O-N 3.33Å; A124-F128 WeakPolarHBondContact O-CB 3.47Å; A124-F128 PolarHBondContact O-N 2.8Å
125	A	96.8	Very high	95.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-39.7	175.2	0	0	0	0	0	112.2	I70 I90 F119 T121 S122 K123 F128 C129	I70-A125 HydrophobicContact CD1-CB 4.16Å; I70-A125 HydrophobicContact CG1-CB 4.38Å; I70-A125 HydrophobicContact CG2-CB 3.72Å; I90-A125 HydrophobicContact CD1-CB 3.94Å; I90-A125 HydrophobicContact CG1-CB 4.05Å; F119-A125 HydrophobicContact CB-CB 4.09Å; F119-A125 HydrophobicContact CD1-CB 4.36Å; F119-A125 HydrophobicContact CD2-CB 3.71Å; F119-A125 HydrophobicContact CE2-CB 4.27Å; F119-A125 HydrophobicContact CG-CB 3.79Å; T121-A125 PolarHBondContact O-N 3.04Å; S122-A125 WeakPolarHBondContact O-CA 3.47Å; S122-A125 WeakPolarHBondContact O-CB 3.38Å; S122-A125 PolarHBondContact O-N 2.76Å; K123-A125 VanDerWaalsContact C-N 3.28Å; K123-A125 PolarHBondContact O-N 3.44Å; A125-F128 PolarHBondContact O-N 3.24Å; A125-C129 PolarHBondContact O-N 2.89Å; A125-C129 PolarHBondContact O-SG 3.38Å
126	E	96.2	Very high	95.2	Very high	58 Å²	58	64.1 Å²	64.1	27%	0.271	33%	0.333	S	S	.	.	H	α-helix	trans	-64.6	-48.7	175	-70.8	166.8	-140.9	0	0	111.5	I70 S122 K123 F128 C129 Q130 V138	I70-E126 HydrophobicContact CD1-CB 4.46Å; I70-E126 HydrophobicContact CD1-CG 3.85Å; S122-E126 WeakPolarHBondContact O-CG 3.44Å; S122-E126 PolarHBondContact O-N 3.28Å; K123-E126 PolarHBondContact O-N 3.39Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.46Å; E126-C129 PolarHBondContact O-N 3.4Å; E126-C129 VanDerWaalsContact O-N 3.15Å; E126-Q130 WeakPolarHBondContact O-CG 3.38Å; E126-Q130 PolarHBondContact O-N 3.07Å; E126-V138 HydrophobicContact CG-CG2 3.59Å; E126-V138 WeakPolarHBondContact OE1-CG2 3.42Å
127	E	95.2	Very high	95.2	Very high	83 Å²	83	66.3 Å²	66.3	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-40.7	175.6	-73.4	173.1	-174.6	0	0	110.7	K123 Q130 R131	K123-E127 WeakPolarHBondContact CE-OE1 3.49Å; K123-E127 HydrophobicContact CG-CG 4.47Å; K123-E127 IonicContact NZ-OE1 3.76Å; K123-E127 PolarHBondContact NZ-OE1 3.47Å; K123-E127 WeakPolarHBondContact O-CB 3.49Å; K123-E127 WeakPolarHBondContact O-CG 3.37Å; K123-E127 PolarHBondContact O-N 3.33Å; E127-Q130 PolarHBondContact O-N 3.39Å; E127-R131 WeakPolarHBondContact O-CB 3.33Å; E127-R131 WeakPolarHBondContact O-CG 3.35Å; E127-R131 PolarHBondContact O-N 2.86Å
128	F	95.3	Very high	95.3	Very high	72 Å²	72	66.5 Å²	66.5	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-45.9	174.5	-179.7	-98.3	0	0	0	112.4	I90 F119 A124 A125 E126 Q130 R131 Q132	I90-F128 HydrophobicContact CD1-CD1 3.81Å; F119-F128 HydrophobicContact CE1-CB 3.77Å; F119-F128 HydrophobicContact CE1-CD2 4.4Å; F119-F128 AromaticContact CE1-CG 3.99Å; F119-F128 HydrophobicContact CE1-CG 3.99Å; F119-F128 HydrophobicContact CE2-CD1 4.41Å; F119-F128 HydrophobicContact CZ-CB 3.72Å; F119-F128 AromaticContact CZ-CD1 3.66Å; F119-F128 HydrophobicContact CZ-CD1 3.66Å; F119-F128 HydrophobicContact CZ-CD2 4.16Å; F119-F128 HydrophobicContact CZ-CE1 4.3Å; F119-F128 AromaticContact CZ-CG 3.57Å; F119-F128 HydrophobicContact CZ-CG 3.57Å; A124-F128 WeakPolarHBondContact O-CB 3.47Å; A124-F128 PolarHBondContact O-N 2.8Å; A125-F128 PolarHBondContact O-N 3.24Å; E126-F128 VanDerWaalsContact C-N 3.28Å; E126-F128 PolarHBondContact O-N 3.46Å; F128-Q130 VanDerWaalsContact C-N 3.35Å; F128-Q130 PolarHBondContact O-N 3.24Å; F128-R131 PolarHBondContact O-N 3.26Å; F128-Q132 HydrophobicContact CD1-CG 4.23Å; F128-Q132 HydrophobicContact CD2-CG 4.38Å; F128-Q132 HydrophobicContact CE1-CG 3.91Å; F128-Q132 HydrophobicContact CE2-CG 4.06Å; F128-Q132 HydrophobicContact CG-CG 4.47Å; F128-Q132 HydrophobicContact CZ-CG 3.82Å; F128-Q132 WeakPolarHBondContact O-CB 3.28Å; F128-Q132 WeakPolarHBondContact O-CG 3.28Å; F128-Q132 PolarHBondContact O-N 3.45Å
129	C	94.3	Very high	95.2	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.02	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177.7	-68.1	0	0	0	0	112.3	A125 E126 Q132 G133 W134 C136	A125-C129 PolarHBondContact O-N 2.89Å; A125-C129 PolarHBondContact O-SG 3.38Å; E126-C129 PolarHBondContact O-N 3.4Å; E126-C129 VanDerWaalsContact O-N 3.15Å; C129-Q132 CarbonylContact O-C 3.48Å; C129-Q132 PolarHBondContact O-N 3.44Å; C129-G133 PolarHBondContact O-N 3.03Å; C129-W134 PolarHBondContact O-N 2.85Å; C129-C136 HydrophobicContact CB-CB 3.66Å; C129-C136 WeakPolarHBondContact CB-SG 3.37Å
130	Q	93.5	Very high	95	Very high	131 Å²	131	69.6 Å²	69.6	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-48.8	176.7	-72.6	172.1	6.1	0	0	111	E126 E127 F128 Q132 G133	E126-Q130 WeakPolarHBondContact O-CG 3.38Å; E126-Q130 PolarHBondContact O-N 3.07Å; E127-Q130 PolarHBondContact O-N 3.39Å; F128-Q130 VanDerWaalsContact C-N 3.35Å; F128-Q130 PolarHBondContact O-N 3.24Å; Q130-Q132 PolarHBondContact O-N 2.94Å; Q130-G133 PolarHBondContact O-N 3.25Å
131	R	93.7	Very high	94.9	Very high	107 Å²	107	64.1 Å²	64.1	40%	0.404	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-34.2	177.1	-70.1	176.2	68.5	-171.1	4.9	112.8	D50 L52 E127 F128	D50-R131 HydrophobicContact CB-CG 3.96Å; D50-R131 VanDerWaalsContact O-CA 3.23Å; D50-R131 WeakPolarHBondContact O-CA 3.46Å; D50-R131 WeakPolarHBondContact O-CB 3.48Å; D50-R131 WeakPolarHBondContact O-CG 3.16Å; L52-R131 WeakPolarHBondContact CA-O 3.41Å; L52-R131 WeakPolarHBondContact CB-O 3.09Å; L52-R131 HydrophobicContact CD1-CB 4.33Å; L52-R131 PolarHBondContact N-O 2.72Å; E127-R131 WeakPolarHBondContact O-CB 3.33Å; E127-R131 WeakPolarHBondContact O-CG 3.35Å; E127-R131 PolarHBondContact O-N 2.86Å; F128-R131 PolarHBondContact O-N 3.26Å
132	Q	93.2	Very high	94.6	Very high	30 Å²	30	68.2 Å²	68.2	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-82.2	-16.1	179	-68.5	-69.7	-35.5	0	0	112.9	T53 N56 F128 C129 Q130 W134	T53-Q132 WeakPolarHBondContact CG2-O 3.23Å; N56-Q132 PolarHBondContact ND2-NE2 3.34Å; N56-Q132 VanDerWaalsContact ND2-NE2 3.19Å; N56-Q132 PolarHBondContact ND2-OE1 2.94Å; F128-Q132 HydrophobicContact CD1-CG 4.23Å; F128-Q132 HydrophobicContact CD2-CG 4.38Å; F128-Q132 HydrophobicContact CE1-CG 3.91Å; F128-Q132 HydrophobicContact CE2-CG 4.06Å; F128-Q132 HydrophobicContact CG-CG 4.47Å; F128-Q132 HydrophobicContact CZ-CG 3.82Å; F128-Q132 WeakPolarHBondContact O-CB 3.28Å; F128-Q132 WeakPolarHBondContact O-CG 3.28Å; F128-Q132 PolarHBondContact O-N 3.45Å; C129-Q132 CarbonylContact O-C 3.48Å; C129-Q132 PolarHBondContact O-N 3.44Å; Q130-Q132 PolarHBondContact O-N 2.94Å; Q132-W134 VanDerWaalsContact C-CD1 3.4Å; Q132-W134 HydrophobicContact CB-CG 4.36Å; Q132-W134 PolarHBondContact O-NE1 2.66Å
133	G	91.7	Very high	94.3	Very high	36 Å²	36	72.9 Å²	72.9	37%	0.371	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	28.5	-177.4	0	0	0	0	0	115.9	C129 Q130	C129-G133 PolarHBondContact O-N 3.03Å; Q130-G133 PolarHBondContact O-N 3.25Å
134	W	94.1	Very high	93.9	Very high	26 Å²	26	72.9 Å²	72.9	10%	0.098	39%	0.387	C	S	.	.			trans	-102.1	137.7	-176.3	-59	47.7	0	0	0	110.6	R66 V68 F92 L112 C129 Q132 C136	R66-W134 HydrophobicContact CB-CE3 4.37Å; R66-W134 HydrophobicContact CB-CZ3 4.42Å; V68-W134 HydrophobicContact CG2-CB 3.45Å; V68-W134 VanDerWaalsContact CG2-CB 3.45Å; V68-W134 HydrophobicContact CG2-CD2 4.2Å; V68-W134 HydrophobicContact CG2-CE3 3.73Å; V68-W134 HydrophobicContact CG2-CG 4.17Å; F92-W134 AromaticContact CD1-CE3 3.52Å; F92-W134 HydrophobicContact CD1-CE3 3.52Å; F92-W134 HydrophobicContact CD1-CH2 4.19Å; F92-W134 AromaticContact CD1-CZ3 3.21Å; F92-W134 HydrophobicContact CD1-CZ3 3.21Å; F92-W134 HydrophobicContact CD2-CH2 4.48Å; F92-W134 HydrophobicContact CD2-CZ3 4.16Å; F92-W134 AromaticContact CE1-CD2 3.86Å; F92-W134 HydrophobicContact CE1-CD2 3.86Å; F92-W134 AromaticContact CE1-CE3 2.98Å; F92-W134 HydrophobicContact CE1-CE3 2.98Å; F92-W134 AromaticContact CE1-CH2 3.55Å; F92-W134 HydrophobicContact CE1-CH2 3.55Å; F92-W134 HydrophobicContact CE1-CZ2 4.38Å; F92-W134 AromaticContact CE1-CZ3 2.81Å; F92-W134 HydrophobicContact CE1-CZ3 2.81Å; F92-W134 AromaticContact CE2-CH2 3.81Å; F92-W134 HydrophobicContact CE2-CH2 3.81Å; F92-W134 AromaticContact CE2-CZ3 3.8Å; F92-W134 HydrophobicContact CE2-CZ3 3.8Å; F92-W134 AromaticContact CG-CZ3 3.9Å; F92-W134 HydrophobicContact CG-CZ3 3.9Å; F92-W134 HydrophobicContact CZ-CD2 4.29Å; F92-W134 AromaticContact CZ-CE3 3.65Å; F92-W134 HydrophobicContact CZ-CE3 3.65Å; F92-W134 AromaticContact CZ-CH2 3.29Å; F92-W134 HydrophobicContact CZ-CH2 3.29Å; F92-W134 HydrophobicContact CZ-CZ2 4.06Å; F92-W134 AromaticContact CZ-CZ3 3.12Å; F92-W134 HydrophobicContact CZ-CZ3 3.12Å; L112-W134 HydrophobicContact CD1-CH2 3.29Å; L112-W134 HydrophobicContact CD1-CZ2 4.4Å; L112-W134 HydrophobicContact CD1-CZ3 3.54Å; L112-W134 HydrophobicContact CD2-CH2 3.77Å; L112-W134 HydrophobicContact CG-CH2 4.09Å; C129-W134 PolarHBondContact O-N 2.85Å; Q132-W134 VanDerWaalsContact C-CD1 3.4Å; Q132-W134 HydrophobicContact CB-CG 4.36Å; Q132-W134 PolarHBondContact O-NE1 2.66Å; W134-C136 PolarHBondContact O-N 3.38Å
135	P	93.5	Very high	93.7	Very high	60 Å²	60	80 Å²	80	39%	0.39	41%	0.411	S	S	.	.			trans	-73.6	103.5	177.9	29.5	-32.1	0	0	0	110.1	Q63 R66 V68	Q63-P135 WeakPolarHBondContact O-CD 3.41Å; R66-P135 VanDerWaalsContact O-CD 3.29Å; R66-P135 WeakPolarHBondContact O-CD 3.39Å; R66-P135 WeakPolarHBondContact O-CG 3.36Å; V68-P135 PolarHBondContact N-O 2.85Å
136	C	94.9	Very high	93.5	Very high	43 Å²	43	89 Å²	89	29%	0.291	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.3	-179.2	63.4	0	0	0	0	113.2	V68 I70 C129 W134	V68-C136 HydrophobicContact CB-CB 3.88Å; V68-C136 HydrophobicContact CG1-CB 4.41Å; V68-C136 CarbonylContact O-C 3.6Å; V68-C136 VanDerWaalsContact O-CA 3.28Å; V68-C136 WeakPolarHBondContact O-CA 3.28Å; I70-C136 HydrophobicContact CD1-CB 3.8Å; I70-C136 HydrophobicContact CG1-CB 4.27Å; C129-C136 HydrophobicContact CB-CB 3.66Å; C129-C136 WeakPolarHBondContact CB-SG 3.37Å; W134-C136 PolarHBondContact O-N 3.38Å
137	Y	95.7	Very high	93.3	Very high	119 Å²	119	91.8 Å²	91.8	47%	0.467	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.3	165.7	69.9	-84.7	0	0	0	110.2	V68 R69 I70	V68-Y137 WeakPolarHBondContact O-CD1 3.24Å; V68-Y137 PolarHBondContact O-N 2.78Å; R69-Y137 HydrophobicContact CB-CE1 4.07Å; R69-Y137 HydrophobicContact CB-CE2 4.39Å; R69-Y137 WeakPolarHBondContact CD-OH 3.33Å; R69-Y137 HydrophobicContact CG-CE1 4.46Å; R69-Y137 HydrophobicContact CG-CE2 3.9Å; I70-Y137 PolarHBondContact N-O 3.37Å
138	V	96.8	Very high	93.2	Very high	61 Å²	61	96.3 Å²	96.3	37%	0.37	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	-175.1	-175.4	0	0	0	0	109.1	I70 W88 E126	I70-V138 HydrophobicContact CB-CG2 4.18Å; I70-V138 HydrophobicContact CD1-CG2 4.08Å; I70-V138 HydrophobicContact CG2-CG1 4.45Å; I70-V138 HydrophobicContact CG2-CG2 4.42Å; W88-V138 HydrophobicContact CH2-CG1 4.24Å; W88-V138 HydrophobicContact CZ3-CG1 3.91Å; E126-V138 HydrophobicContact CG-CG2 3.59Å; E126-V138 WeakPolarHBondContact OE1-CG2 3.42Å
139	E	96.2	Very high	93.2	Very high	90 Å²	90	101.9 Å²	101.9	42%	0.421	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-85.3	133.9	171.7	-167.9	175.1	162.9	0	0	109.5	R69 I70 F71	R69-E139 IonicContact NH1-OE2 3.06Å; I70-E139 PolarHBondContact O-N 3.04Å; F71-E139 HydrophobicContact CB-CB 3.8Å
140	S	93.6	Very high	93.2	Very high	103 Å²	103	105.1 Å²	105.1	72%	0.72	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-68.2	136.8	178.6	55.9	0	0	0	0	110.7	N142	S140-N142 PolarHBondContact O-N 3.42Å
141	P	93.3	Very high	93.3	Very high	53 Å²	53	104.9 Å²	104.9	34%	0.344	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-72	131.2	-175.3	29.5	-33.6	0	0	0	110.4	I72 W88 I143	I72-P141 HydrophobicContact CD1-CB 3.65Å; I72-P141 HydrophobicContact CG1-CB 4.19Å; W88-P141 HydrophobicContact CH2-CB 4.36Å; W88-P141 HydrophobicContact CH2-CG 4.22Å; W88-P141 HydrophobicContact CZ2-CB 4.38Å; W88-P141 HydrophobicContact CZ2-CG 4.2Å; P141-I143 PolarHBondContact O-N 3.08Å; P141-I143 VanDerWaalsContact O-N 3.08Å
142	N	89.6	Confident	93.3	Very high	158 Å²	158	102.1 Å²	102.1	85%	0.845	54%	0.543	S	S	*	.			trans	-82.6	87.8	176.7	-169.7	-3.9	0	0	0	110.9	S140	S140-N142 PolarHBondContact O-N 3.42Å
143	I	89	Confident	93.4	Very high	133 Å²	133	102.9 Å²	102.9	68%	0.682	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-78	125.4	178.7	-54.6	169.1	0	0	0	109.3	P141 K145	P141-I143 PolarHBondContact O-N 3.08Å; P141-I143 VanDerWaalsContact O-N 3.08Å; I143-K145 PolarHBondContact O-N 3.28Å
144	L	88.2	Confident	93.6	Very high	130 Å²	130	103.6 Å²	103.6	68%	0.681	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-62.7	125.1	174.6	-67.5	173.5	0	0	0	110.2	M146	L144-M146 PolarHBondContact O-N 3.3Å
145	K	92.5	Very high	93.6	Very high	184 Å²	184	107.7 Å²	107.7	80%	0.8	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-66.6	128.3	174	-63	179	-178	178.7	0	109.5	I143 N147	I143-K145 PolarHBondContact O-N 3.28Å; K145-N147 PolarHBondContact O-N 3.41Å
146	M	92.3	Very high	93.6	Very high	189 Å²	189	105.8 Å²	105.8	93%	0.931	55%	0.554	S	S	*	*			trans	-73.1	115.9	174.6	-171.5	179.8	-71.2	0	0	109.3	L144	L144-M146 PolarHBondContact O-N 3.3Å
147	N	92.8	Very high	93.5	Very high	117 Å²	117	115.7 Å²	115.7	63%	0.626	59%	0.585	S	S	*	*			trans	-95.6	131	177.1	-66.3	-28.2	0	0	0	110	K145 K149	K145-N147 PolarHBondContact O-N 3.41Å; N147-K149 PolarHBondContact O-N 2.74Å
148	I	93.7	Very high	93.5	Very high	177 Å²	177	115.9 Å²	115.9	91%	0.908	59%	0.594	S	S	*	*			trans	-69.3	121.2	171.9	-57.4	170.9	0	0	0	108
149	K	94.3	Very high	93.4	Very high	190 Å²	190	119.5 Å²	119.5	83%	0.826	61%	0.605	S	S	*	*			trans	-117.8	130.1	178.6	-64	179.5	-177.4	-179.9	0	109	N147	N147-K149 PolarHBondContact O-N 2.74Å
150	S	95	Very high	93.3	Very high	70 Å²	70	127.6 Å²	127.6	49%	0.49	63%	0.632	S	S	.	*			trans	-126.7	128.3	173.1	176.8	0	0	0	0	109.4	G152 S153	S150-G152 PolarHBondContact O-N 2.71Å; S150-G152 PolarHBondContact OG-N 3.34Å; S150-S153 PolarHBondContact O-N 3.32Å; S150-S153 PolarHBondContact O-OG 3.42Å
151	Y	95.7	Very high	93.3	Very high	126 Å²	126	126.1 Å²	126.1	49%	0.494	62%	0.619	S	S	.	*	S	Bend	trans	-66.1	-31.9	174.5	-178.1	-105.2	0	0	0	111.5	S153 N154 F155 K166	Y151-S153 VanDerWaalsContact C-N 3.25Å; Y151-S153 PolarHBondContact O-N 3.02Å; Y151-N154 VanDerWaalsContact O-CB 3.31Å; Y151-N154 WeakPolarHBondContact O-CB 3.46Å; Y151-N154 PolarHBondContact O-N 3.19Å; Y151-N154 VanDerWaalsContact O-N 3.14Å; Y151-F155 HydrophobicContact CD1-CE2 4.41Å; Y151-F155 HydrophobicContact CE1-CD2 4.41Å; Y151-F155 AromaticContact CE1-CE2 3.66Å; Y151-F155 HydrophobicContact CE1-CE2 3.66Å; Y151-F155 HydrophobicContact CE2-CE2 4.07Å; Y151-F155 AromaticContact CZ-CE2 3.45Å; Y151-F155 VanDerWaalsContact CZ-CE2 3.45Å; Y151-F155 WeakPolarHBondContact OH-CE2 3.36Å; Y151-F155 WeakPolarHBondContact OH-CZ 3.18Å; Y151-K166 HydrophobicContact CE2-CD 3.91Å; Y151-K166 WeakPolarHBondContact OH-CD 3.34Å; Y151-K166 WeakPolarHBondContact OH-CE 3.35Å; Y151-K166 PolarHBondContact OH-NZ 3.45Å
152	G	94.2	Very high	93.3	Very high	49 Å²	49	131.4 Å²	131.4	51%	0.505	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-63.2	-28.2	176.7	0	0	0	0	0	113.6	S150 N154 F155	S150-G152 PolarHBondContact O-N 2.71Å; S150-G152 PolarHBondContact OG-N 3.34Å; G152-N154 PolarHBondContact O-N 3.3Å; G152-F155 PolarHBondContact O-N 3.14Å
153	S	93.7	Very high	93.6	Very high	47 Å²	47	126.3 Å²	126.3	33%	0.329	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-65.5	-20.3	176.6	59	0	0	0	0	113.5	S150 Y151 F155 T161	S150-S153 PolarHBondContact O-N 3.32Å; S150-S153 PolarHBondContact O-OG 3.42Å; Y151-S153 VanDerWaalsContact C-N 3.25Å; Y151-S153 PolarHBondContact O-N 3.02Å; S153-F155 PolarHBondContact O-N 3.3Å; S153-T161 CarbonylContact O-C 3.58Å; S153-T161 WeakPolarHBondContact O-CB 3.24Å; S153-T161 PolarHBondContact O-OG1 2.77Å
154	N	95.7	Very high	93.8	Very high	50 Å²	50	124 Å²	124	27%	0.267	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-71.1	-13.1	178	-59.9	-19	0	0	0	113.1	Y151 G152 R162 V163	Y151-N154 VanDerWaalsContact O-CB 3.31Å; Y151-N154 WeakPolarHBondContact O-CB 3.46Å; Y151-N154 PolarHBondContact O-N 3.19Å; Y151-N154 VanDerWaalsContact O-N 3.14Å; G152-N154 PolarHBondContact O-N 3.3Å; N154-R162 VanDerWaalsContact O-CA 3.24Å; N154-R162 WeakPolarHBondContact O-CA 3.35Å; N154-V163 HydrophobicContact CB-CG1 4.12Å; N154-V163 HydrophobicContact CB-CG2 4.19Å; N154-V163 PolarHBondContact O-N 3.2Å
155	F	94.2	Very high	94	Very high	112 Å²	112	122.8 Å²	122.8	49%	0.491	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-126	26.9	-179.2	-54.4	-80.8	0	0	0	112.7	Y151 G152 S153 W157 K166	Y151-F155 HydrophobicContact CD1-CE2 4.41Å; Y151-F155 HydrophobicContact CE1-CD2 4.41Å; Y151-F155 AromaticContact CE1-CE2 3.66Å; Y151-F155 HydrophobicContact CE1-CE2 3.66Å; Y151-F155 HydrophobicContact CE2-CE2 4.07Å; Y151-F155 AromaticContact CZ-CE2 3.45Å; Y151-F155 VanDerWaalsContact CZ-CE2 3.45Å; Y151-F155 WeakPolarHBondContact OH-CE2 3.36Å; Y151-F155 WeakPolarHBondContact OH-CZ 3.18Å; G152-F155 PolarHBondContact O-N 3.14Å; S153-F155 PolarHBondContact O-N 3.3Å; F155-W157 PolarHBondContact O-N 3.35Å; F155-K166 HydrophobicContact CZ-CD 4.4Å
156	S	93.4	Very high	93.8	Very high	20 Å²	20	123.9 Å²	123.9	14%	0.14	62%	0.622	C	S	.	*			trans	-57.3	133.1	178.9	57.2	0	0	0	0	112.4	N158 K159 T161	S156-N158 PolarHBondContact O-N 3.33Å; S156-K159 WeakPolarHBondContact OG-CB 3.38Å; S156-K159 PolarHBondContact OG-O 3.37Å; S156-K159 VanDerWaalsContact OG-O 3.05Å; S156-T161 PolarHBondContact OG-OG1 3.23Å
157	W	94.2	Very high	93.8	Very high	252 Å²	252	120.7 Å²	120.7	96%	0.955	61%	0.607	S	S	*	*	S	Bend	trans	-62	-39.4	177.4	175.8	-108	0	0	0	113.4	F155	F155-W157 PolarHBondContact O-N 3.35Å
158	N	94.6	Very high	93.9	Very high	123 Å²	123	120.8 Å²	120.8	66%	0.658	61%	0.606	S	S	*	*	S	Bend	trans	-130.2	12.6	-170.2	67.6	-4	0	0	0	114.9	S156	S156-N158 PolarHBondContact O-N 3.33Å
159	K	95.1	Very high	93.9	Very high	136 Å²	136	117.7 Å²	117.7	59%	0.591	59%	0.589	S	S	*	*	S	Bend	trans	-111.8	152.8	177.2	-49.5	-65.8	-176.3	179.2	0	111	S156 T161	S156-K159 WeakPolarHBondContact OG-CB 3.38Å; S156-K159 PolarHBondContact OG-O 3.37Å; S156-K159 VanDerWaalsContact OG-O 3.05Å; K159-T161 PolarHBondContact O-N 3.17Å
160	R	94.4	Very high	93.9	Very high	260 Å²	260	113.5 Å²	113.5	98%	0.981	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-1	176.3	-67.3	-176.1	177	124.2	-1.5	113.8	R162	R160-R162 PolarHBondContact O-N 3.42Å
161	T	93.9	Very high	93.8	Very high	73 Å²	73	116.2 Å²	116.2	45%	0.448	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-5.5	176.7	52.9	0	0	0	0	112.8	S153 S156 K159 V163	S153-T161 CarbonylContact O-C 3.58Å; S153-T161 WeakPolarHBondContact O-CB 3.24Å; S153-T161 PolarHBondContact O-OG1 2.77Å; S156-T161 PolarHBondContact OG-OG1 3.23Å; K159-T161 PolarHBondContact O-N 3.17Å; T161-V163 PolarHBondContact O-N 3.05Å
162	R	93.5	Very high	93.7	Very high	163 Å²	163	115.5 Å²	115.5	62%	0.615	59%	0.586	S	S	*	*			trans	-64.2	122.8	177.9	-170	176.5	69.2	79.7	-3.8	110.9	N154 R160	N154-R162 VanDerWaalsContact O-CA 3.24Å; N154-R162 WeakPolarHBondContact O-CA 3.35Å; R160-R162 PolarHBondContact O-N 3.42Å
163	V	94.6	Very high	93.6	Very high	52 Å²	52	120.3 Å²	120.3	32%	0.315	59%	0.592	S	S	.	*			trans	-76.1	147.4	178.6	-62	0	0	0	0	111.4	N154 T161 S165	N154-V163 HydrophobicContact CB-CG1 4.12Å; N154-V163 HydrophobicContact CB-CG2 4.19Å; N154-V163 PolarHBondContact O-N 3.2Å; T161-V163 PolarHBondContact O-N 3.05Å; V163-S165 WeakPolarHBondContact CG2-O 3.31Å
164	G	93.2	Very high	93.6	Very high	84 Å²	84	125.9 Å²	125.9	87%	0.866	61%	0.612	S	S	*	*	S	Bend	trans	-78.6	-28.7	176.4	0	0	0	0	0	113.6
165	S	92.2	Very high	93.5	Very high	105 Å²	105	132.3 Å²	132.3	73%	0.734	64%	0.641	S	S	*	*			trans	-147.1	163.2	179.7	58.6	0	0	0	0	110.5	V163	V163-S165 WeakPolarHBondContact CG2-O 3.31Å
166	K	88.2	Confident	93.4	Very high	207 Å²	207	134.1 Å²	134.1	90%	0.9	66%	0.655	S	S	*	*			trans	-146.5	0	170.1	-169.9	-173.5	174.5	-155.7	0	109.8	Y151 F155	Y151-K166 HydrophobicContact CE2-CD 3.91Å; Y151-K166 WeakPolarHBondContact OH-CD 3.34Å; Y151-K166 WeakPolarHBondContact OH-CE 3.35Å; Y151-K166 PolarHBondContact OH-NZ 3.45Å; F155-K166 HydrophobicContact CZ-CD 4.4Å

Retrieved 166 of 166 residues in 44.2 ms (Link to these results)

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