A0A5K4F6W4_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 110 aa.

						>A0A5K4F6W4_SCHMA|A0A5K4F6W4
MSASNILLVTGRPGIGKTTLVSHVFEELLKNGIHAVGFKTEEVRQFYSGKSARLGFDVVLFDSSRTYPRASLARIISQSSQQVQRQPRVGQYLVDISSFESLAIPCLQVS
					

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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	48.1	Very low	82.4	Confident	244 Å²	244	125.4 Å²	125.4	100%	1.202	74%	0.741	S	S	*	*				0	121.4	0	-70.3	175.7	178.4	0	0	106.7	A3	M1-A3 PolarHBondContact O-N 3.07Å
2	S	58.6	Low	83.5	Confident	117 Å²	117	132.7 Å²	132.7	82%	0.818	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-56.6	134.3	169.3	-176.6	0	0	0	0	107.6	S4	S2-S4 PolarHBondContact O-N 3.38Å; S2-S4 VanDerWaalsContact O-N 3.07Å
3	A	70.2	Confident	84.1	Confident	81 Å²	81	132.3 Å²	132.3	67%	0.669	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.5	117.8	174.9	0	0	0	0	0	107.8	M1 N5	M1-A3 PolarHBondContact O-N 3.07Å; A3-N5 PolarHBondContact O-N 3.19Å
4	S	79.5	Confident	84.6	Confident	107 Å²	107	129.1 Å²	129.1	75%	0.748	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.3	172.6	-57	0	0	0	0	107.9	S2 I6	S2-S4 PolarHBondContact O-N 3.38Å; S2-S4 VanDerWaalsContact O-N 3.07Å; S4-I6 PolarHBondContact O-N 3.32Å
5	N	88	Confident	85.4	Confident	160 Å²	160	128.4 Å²	128.4	86%	0.856	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71.4	119.9	171.8	-70.8	-27	0	0	0	108.3	A3	A3-N5 PolarHBondContact O-N 3.19Å
6	I	90.3	Very high	86	Confident	158 Å²	158	122.2 Å²	122.2	81%	0.81	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-100.8	116.2	177.1	-61	173.6	0	0	0	108	S4	S4-I6 PolarHBondContact O-N 3.32Å
7	L	93	Very high	86.6	Confident	159 Å²	159	118.6 Å²	118.6	83%	0.832	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-102.6	117.2	170.7	179.4	63.2	0	0	0	109.4
8	L	94.6	Very high	86.9	Confident	143 Å²	143	115.7 Å²	115.7	75%	0.749	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-103.4	117.8	176.2	-176.7	65.8	0	0	0	110.7	T10	L8-T10 HydrophobicContact CD1-CG2 4.48Å; L8-T10 HydrophobicContact CD2-CG2 3.8Å; L8-T10 HydrophobicContact CG-CG2 3.71Å
9	V	94.1	Very high	87.3	Confident	57 Å²	57	113.9 Å²	113.9	35%	0.345	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-96.5	116.7	175.1	-177.9	0	0	0	0	109.7	K17 L20	V9-K17 HydrophobicContact CG1-CB 4.45Å; V9-K17 HydrophobicContact CG1-CG 4.24Å; V9-L20 HydrophobicContact CG1-CD2 4.15Å
10	T	95.5	Very high	87.8	Confident	109 Å²	109	113 Å²	113	67%	0.669	66%	0.663	S	S	*	*			trans	-121	165.8	-178.2	70.2	0	0	0	0	112.4	L8	L8-T10 HydrophobicContact CD1-CG2 4.48Å; L8-T10 HydrophobicContact CD2-CG2 3.8Å; L8-T10 HydrophobicContact CG-CG2 3.71Å
11	G	94.8	Very high	88.1	Confident	44 Å²	44	110.5 Å²	110.5	45%	0.454	65%	0.649	S	S	.	*			trans	149.1	167.4	178.2	0	0	0	0	0	113.7	K17	G11-K17 PolarHBondContact O-NZ 2.88Å
12	R	95.5	Very high	90.3	Very high	213 Å²	213	99.7 Å²	99.7	80%	0.804	60%	0.598	S	S	*	*			trans	-56.5	153	-177.6	-66.4	-178.2	179.6	-179.6	0.2	112.4	I15 K17	R12-I15 WeakPolarHBondContact O-CB 3.4Å; R12-I15 WeakPolarHBondContact O-CG2 3.5Å; R12-I15 PolarHBondContact O-N 3.21Å; R12-K17 PolarHBondContact O-NZ 3.32Å
13	P	90.7	Very high	92.1	Very high	128 Å²	128	99.6 Å²	99.6	83%	0.831	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	141.4	169.9	-24.9	35	0	0	0	111.2	I15	P13-I15 VanDerWaalsContact C-N 3.28Å; P13-I15 PolarHBondContact O-N 3.26Å
14	G	91.5	Very high	93.3	Very high	87 Å²	87	99.3 Å²	99.3	90%	0.897	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.5	-4.2	179.8	0	0	0	0	0	116.3	G16	G14-G16 PolarHBondContact O-N 3.27Å; G14-G16 VanDerWaalsContact O-N 3.09Å
15	I	95.9	Very high	94	Very high	119 Å²	119	95 Å²	95	61%	0.61	54%	0.541	S	S	*	.	S	Bend	trans	-70.6	-2	179.4	-158.1	59.6	0	0	0	114.5	R12 P13 K17	R12-I15 WeakPolarHBondContact O-CB 3.4Å; R12-I15 WeakPolarHBondContact O-CG2 3.5Å; R12-I15 PolarHBondContact O-N 3.21Å; P13-I15 VanDerWaalsContact C-N 3.28Å; P13-I15 PolarHBondContact O-N 3.26Å; I15-K17 HydrophobicContact CG2-CD 4.38Å; I15-K17 HydrophobicContact CG2-CG 3.69Å
16	G	95	Very high	94.3	Very high	29 Å²	29	92 Å²	92	30%	0.299	52%	0.523	S	S	.	.	S	Bend	trans	90.7	20.6	178.1	0	0	0	0	0	116.1	G14 T18 T19 L20	G14-G16 PolarHBondContact O-N 3.27Å; G14-G16 VanDerWaalsContact O-N 3.09Å; G16-T18 PolarHBondContact O-N 2.97Å; G16-T19 VanDerWaalsContact O-CB 3.3Å; G16-T19 WeakPolarHBondContact O-CB 3.3Å; G16-T19 PolarHBondContact O-N 3.19Å; G16-T19 VanDerWaalsContact O-N 3.15Å; G16-L20 PolarHBondContact O-N 2.92Å
17	K	96.2	Very high	94.5	Very high	61 Å²	61	89.1 Å²	89.1	27%	0.265	51%	0.506	S	S	.	.	H	α-helix	trans	-54.8	-52.1	178.2	-63.8	-178.6	-65.5	-72.1	0	113.1	V9 G11 R12 I15 T19 L20 V21	V9-K17 HydrophobicContact CG1-CB 4.45Å; V9-K17 HydrophobicContact CG1-CG 4.24Å; G11-K17 PolarHBondContact O-NZ 2.88Å; R12-K17 PolarHBondContact O-NZ 3.32Å; I15-K17 HydrophobicContact CG2-CD 4.38Å; I15-K17 HydrophobicContact CG2-CG 3.69Å; K17-T19 PolarHBondContact O-N 3.26Å; K17-L20 PolarHBondContact O-N 3.27Å; K17-V21 WeakPolarHBondContact O-CG2 3.4Å; K17-V21 PolarHBondContact O-N 2.75Å
18	T	92.9	Very high	94.6	Very high	67 Å²	67	84.3 Å²	84.3	41%	0.411	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-37.8	178.8	-48.6	0	0	0	0	110.8	G16 S22 K39	G16-T18 PolarHBondContact O-N 2.97Å; T18-S22 WeakPolarHBondContact O-CB 3.48Å; T18-S22 PolarHBondContact O-N 3.45Å; T18-S22 PolarHBondContact O-OG 3.49Å; T18-K39 HydrophobicContact CG2-CB 3.99Å; T18-K39 HydrophobicContact CG2-CD 4.34Å
19	T	95.2	Very high	94.4	Very high	81 Å²	81	81.8 Å²	81.8	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-49.5	175.2	-48.4	0	0	0	0	111.2	G16 K17 V21 S22 H23	G16-T19 VanDerWaalsContact O-CB 3.3Å; G16-T19 WeakPolarHBondContact O-CB 3.3Å; G16-T19 PolarHBondContact O-N 3.19Å; G16-T19 VanDerWaalsContact O-N 3.15Å; K17-T19 PolarHBondContact O-N 3.26Å; T19-V21 PolarHBondContact O-N 3.16Å; T19-S22 PolarHBondContact O-N 3.12Å; T19-H23 PolarHBondContact O-CD2 3.1Å; T19-H23 VanDerWaalsContact O-CD2 3.28Å; T19-H23 PolarHBondContact O-N 2.99Å
20	L	96.3	Very high	94.4	Very high	96 Å²	96	86.2 Å²	86.2	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-56.6	-51.8	177.2	175.8	66.8	0	0	0	111.4	V9 G16 K17 S22 H23 V24	V9-L20 HydrophobicContact CG1-CD2 4.15Å; G16-L20 PolarHBondContact O-N 2.92Å; K17-L20 PolarHBondContact O-N 3.27Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 3.05Å; L20-H23 PolarHBondContact O-N 3.43Å; L20-V24 HydrophobicContact CD1-CG2 4.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.13Å; L20-V24 PolarHBondContact O-N 3.43Å
21	V	95	Very high	94.5	Very high	61 Å²	61	86 Å²	86	37%	0.37	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-38.7	-179.2	177	0	0	0	0	111.1	K17 T19 V24 F25 F61	K17-V21 WeakPolarHBondContact O-CG2 3.4Å; K17-V21 PolarHBondContact O-N 2.75Å; T19-V21 PolarHBondContact O-N 3.16Å; V21-V24 PolarHBondContact O-N 3.04Å; V21-F25 WeakPolarHBondContact O-CB 3.34Å; V21-F25 PolarHBondContact O-N 3.24Å; V21-F61 HydrophobicContact CG1-CE2 4.17Å; V21-F61 HydrophobicContact CG1-CZ 3.74Å
22	S	94	Very high	94.4	Very high	16 Å²	16	87.1 Å²	87.1	11%	0.112	49%	0.489	C	S	.	.	H	α-helix	trans	-63	-45.8	176.5	-54	0	0	0	0	111.4	T18 T19 L20 V24 F25 E26	T18-S22 WeakPolarHBondContact O-CB 3.48Å; T18-S22 PolarHBondContact O-N 3.45Å; T18-S22 PolarHBondContact O-OG 3.49Å; T19-S22 PolarHBondContact O-N 3.12Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 3.05Å; S22-V24 PolarHBondContact O-N 3.21Å; S22-F25 WeakPolarHBondContact O-CB 3.49Å; S22-F25 PolarHBondContact O-N 2.97Å; S22-E26 WeakPolarHBondContact O-CG 3.44Å; S22-E26 PolarHBondContact O-N 3.3Å
23	H	95.6	Very high	94.3	Very high	116 Å²	116	81.2 Å²	81.2	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-41.4	177.2	-79.7	-144.6	0	0	0	112.2	T19 L20 F25 E26 E27	T19-H23 PolarHBondContact O-CD2 3.1Å; T19-H23 VanDerWaalsContact O-CD2 3.28Å; T19-H23 PolarHBondContact O-N 2.99Å; L20-H23 PolarHBondContact O-N 3.43Å; H23-F25 VanDerWaalsContact C-N 3.31Å; H23-F25 PolarHBondContact O-N 3.47Å; H23-E26 PolarHBondContact O-N 2.95Å; H23-E27 WeakPolarHBondContact O-CB 3.33Å; H23-E27 PolarHBondContact O-N 3.4Å
24	V	95.4	Very high	94.2	Very high	75 Å²	75	82.8 Å²	82.8	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-60.6	-44.3	175.4	169.6	0	0	0	0	110.3	L20 V21 S22 E27 L28	L20-V24 HydrophobicContact CD1-CG2 4.36Å; L20-V24 WeakPolarHBondContact O-CG2 3.13Å; L20-V24 PolarHBondContact O-N 3.43Å; V21-V24 PolarHBondContact O-N 3.04Å; S22-V24 PolarHBondContact O-N 3.21Å; V24-E27 PolarHBondContact O-N 3.29Å; V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.41Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.37Å
25	F	94.2	Very high	94.1	Very high	15 Å²	15	79.6 Å²	79.6	7%	0.066	43%	0.433	C	S	.	.	H	α-helix	trans	-61.8	-46.2	177.9	-168.2	-85.5	0	0	0	112.2	V21 S22 H23 E27 L28 L29 A35 F61	V21-F25 WeakPolarHBondContact O-CB 3.34Å; V21-F25 PolarHBondContact O-N 3.24Å; S22-F25 WeakPolarHBondContact O-CB 3.49Å; S22-F25 PolarHBondContact O-N 2.97Å; H23-F25 VanDerWaalsContact C-N 3.31Å; H23-F25 PolarHBondContact O-N 3.47Å; F25-E27 VanDerWaalsContact C-N 3.27Å; F25-E27 PolarHBondContact O-N 2.93Å; F25-L28 PolarHBondContact O-N 3.25Å; F25-L29 HydrophobicContact CD1-CD1 3.81Å; F25-L29 HydrophobicContact CD1-CG 4.04Å; F25-L29 HydrophobicContact CE1-CD1 3.45Å; F25-L29 VanDerWaalsContact CE1-CD1 3.45Å; F25-L29 HydrophobicContact CE1-CD2 4.19Å; F25-L29 HydrophobicContact CE1-CG 3.77Å; F25-L29 HydrophobicContact CZ-CD1 4.49Å; F25-L29 WeakPolarHBondContact O-CG 3.13Å; F25-L29 PolarHBondContact O-N 2.89Å; F25-A35 HydrophobicContact CD2-CB 3.86Å; F25-A35 VanDerWaalsContact CE2-C 3.43Å; F25-A35 HydrophobicContact CE2-CB 3.52Å; F25-A35 WeakPolarHBondContact CE2-O 3.46Å; F25-A35 HydrophobicContact CZ-CB 4.18Å; F25-A35 WeakPolarHBondContact CZ-O 3.46Å; F25-F61 HydrophobicContact CB-CD1 4.24Å; F25-F61 HydrophobicContact CB-CG 4.33Å; F25-F61 HydrophobicContact CD1-CB 3.5Å; F25-F61 HydrophobicContact CD1-CD1 4.27Å; F25-F61 AromaticContact CD1-CG 3.97Å; F25-F61 HydrophobicContact CD1-CG 3.97Å; F25-F61 HydrophobicContact CD2-CB 3.86Å; F25-F61 AromaticContact CD2-CD2 3.76Å; F25-F61 HydrophobicContact CD2-CD2 3.76Å; F25-F61 HydrophobicContact CD2-CE2 4.48Å; F25-F61 AromaticContact CD2-CG 3.84Å; F25-F61 HydrophobicContact CD2-CG 3.84Å; F25-F61 HydrophobicContact CE1-CB 3.27Å; F25-F61 HydrophobicContact CE1-CG 4.19Å; F25-F61 HydrophobicContact CE2-CB 3.66Å; F25-F61 HydrophobicContact CE2-CD2 4Å; F25-F61 HydrophobicContact CE2-CG 4.07Å; F25-F61 HydrophobicContact CG-CB 3.78Å; F25-F61 HydrophobicContact CG-CD1 4.11Å; F25-F61 HydrophobicContact CG-CD2 4.13Å; F25-F61 AromaticContact CG-CG 3.78Å; F25-F61 HydrophobicContact CG-CG 3.78Å; F25-F61 HydrophobicContact CZ-CB 3.36Å; F25-F61 HydrophobicContact CZ-CG 4.25Å
26	E	93.6	Very high	93.9	Very high	99 Å²	99	77 Å²	77	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-58.1	-40.8	175.1	-72.9	171.9	-160.7	0	0	112	S22 H23 L29 K30	S22-E26 WeakPolarHBondContact O-CG 3.44Å; S22-E26 PolarHBondContact O-N 3.3Å; H23-E26 PolarHBondContact O-N 2.95Å; E26-L29 PolarHBondContact O-N 3.23Å; E26-K30 WeakPolarHBondContact O-CG 3.44Å; E26-K30 PolarHBondContact O-N 3.48Å
27	E	96	Very high	93.8	Very high	97 Å²	97	76 Å²	76	45%	0.453	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-41.1	179	-166.2	57.4	-151.6	0	0	112	H23 V24 F25 L29 K30 N31	H23-E27 WeakPolarHBondContact O-CB 3.33Å; H23-E27 PolarHBondContact O-N 3.4Å; V24-E27 PolarHBondContact O-N 3.29Å; F25-E27 VanDerWaalsContact C-N 3.27Å; F25-E27 PolarHBondContact O-N 2.93Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.31Å; E27-K30 PolarHBondContact O-N 2.88Å; E27-K30 IonicContact OE2-NZ 3.42Å; E27-N31 PolarHBondContact O-N 2.95Å; E27-N31 VanDerWaalsContact O-N 3.1Å; E27-N31 PolarHBondContact O-ND2 2.96Å; E27-N31 PolarHBondContact OE1-ND2 3.37Å
28	L	94.4	Very high	93.8	Very high	58 Å²	58	75.9 Å²	75.9	30%	0.304	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-46.6	173.6	-69.2	173	0	0	0	111	V24 F25 K30 N31 G32 I33 A35	V24-L28 HydrophobicContact CG1-CD1 4.15Å; V24-L28 HydrophobicContact CG1-CG 4.41Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.36Å; V24-L28 PolarHBondContact O-N 3.37Å; F25-L28 PolarHBondContact O-N 3.25Å; L28-K30 PolarHBondContact O-N 2.92Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 2.8Å; L28-G32 PolarHBondContact O-N 2.67Å; L28-I33 CarbonylContact C-O 3.53Å; L28-I33 HydrophobicContact CB-CB 4.18Å; L28-I33 HydrophobicContact CB-CG2 4.48Å; L28-I33 HydrophobicContact CD2-CB 4.18Å; L28-I33 HydrophobicContact CD2-CD1 3.76Å; L28-I33 HydrophobicContact CD2-CG2 4.08Å; L28-I33 WeakPolarHBondContact O-CA 3.23Å; L28-I33 WeakPolarHBondContact O-CB 3.43Å; L28-I33 PolarHBondContact O-N 2.93Å; L28-A35 HydrophobicContact CB-CB 4.39Å; L28-A35 HydrophobicContact CD1-CB 4.01Å
29	L	91.1	Very high	93.9	Very high	89 Å²	89	75.5 Å²	75.5	47%	0.466	40%	0.404	S	S	.	.	H	α-helix	trans	-61.2	-44.9	177.3	-72.1	-176.6	0	0	0	112.6	F25 E26 E27 N31 G32	F25-L29 HydrophobicContact CD1-CD1 3.81Å; F25-L29 HydrophobicContact CD1-CG 4.04Å; F25-L29 HydrophobicContact CE1-CD1 3.45Å; F25-L29 VanDerWaalsContact CE1-CD1 3.45Å; F25-L29 HydrophobicContact CE1-CD2 4.19Å; F25-L29 HydrophobicContact CE1-CG 3.77Å; F25-L29 HydrophobicContact CZ-CD1 4.49Å; F25-L29 WeakPolarHBondContact O-CG 3.13Å; F25-L29 PolarHBondContact O-N 2.89Å; E26-L29 PolarHBondContact O-N 3.23Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.31Å; L29-N31 PolarHBondContact O-N 3.49Å; L29-G32 PolarHBondContact O-N 2.94Å
30	K	93.5	Very high	93.9	Very high	151 Å²	151	74.7 Å²	74.7	66%	0.657	40%	0.399	S	S	*	.	H	α-helix	trans	-58.4	-33.8	177	-75.6	173	-170.7	166.9	0	112.5	E26 E27 L28 G32	E26-K30 WeakPolarHBondContact O-CG 3.44Å; E26-K30 PolarHBondContact O-N 3.48Å; E27-K30 PolarHBondContact O-N 2.88Å; E27-K30 IonicContact OE2-NZ 3.42Å; L28-K30 PolarHBondContact O-N 2.92Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 3.25Å
31	N	96.9	Very high	93.9	Very high	103 Å²	103	72.9 Å²	72.9	55%	0.551	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	10.9	177.9	-70.6	-80.8	0	0	0	113	E27 L28 L29 I33	E27-N31 PolarHBondContact O-N 2.95Å; E27-N31 VanDerWaalsContact O-N 3.1Å; E27-N31 PolarHBondContact O-ND2 2.96Å; E27-N31 PolarHBondContact OE1-ND2 3.37Å; L28-N31 CarbonylContact O-C 3.59Å; L28-N31 PolarHBondContact O-N 2.8Å; L29-N31 PolarHBondContact O-N 3.49Å; N31-I33 HydrophobicContact CB-CD1 4.31Å; N31-I33 HydrophobicContact CB-CG1 4.4Å; N31-I33 PolarHBondContact O-N 3.38Å
32	G	93.7	Very high	93.8	Very high	69 Å²	69	73.3 Å²	73.3	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	14.6	179.2	0	0	0	0	0	114	L28 L29 K30	L28-G32 PolarHBondContact O-N 2.67Å; L29-G32 PolarHBondContact O-N 2.94Å; K30-G32 VanDerWaalsContact C-N 3.25Å; K30-G32 PolarHBondContact O-N 3.25Å
33	I	93	Very high	93.9	Very high	89 Å²	89	74 Å²	74	46%	0.456	39%	0.39	S	S	.	.			trans	-86	115.9	177.6	-58.7	169.9	0	0	0	107.9	L28 N31 A35	L28-I33 CarbonylContact C-O 3.53Å; L28-I33 HydrophobicContact CB-CB 4.18Å; L28-I33 HydrophobicContact CB-CG2 4.48Å; L28-I33 HydrophobicContact CD2-CB 4.18Å; L28-I33 HydrophobicContact CD2-CD1 3.76Å; L28-I33 HydrophobicContact CD2-CG2 4.08Å; L28-I33 WeakPolarHBondContact O-CA 3.23Å; L28-I33 WeakPolarHBondContact O-CB 3.43Å; L28-I33 PolarHBondContact O-N 2.93Å; N31-I33 HydrophobicContact CB-CD1 4.31Å; N31-I33 HydrophobicContact CB-CG1 4.4Å; N31-I33 PolarHBondContact O-N 3.38Å; I33-A35 PolarHBondContact O-N 3.25Å
34	H	88.7	Confident	93.8	Very high	161 Å²	161	74.1 Å²	74.1	75%	0.745	39%	0.386	S	S	*	.			trans	-65.9	121.6	174.7	-179.7	-103.6	0	0	0	110.3
35	A	89.9	Confident	93.6	Very high	20 Å²	20	75.2 Å²	75.2	17%	0.165	39%	0.386	C	S	.	.			trans	-134.1	147.3	175.3	0	0	0	0	0	109	F25 L28 I33	F25-A35 HydrophobicContact CD2-CB 3.86Å; F25-A35 VanDerWaalsContact CE2-C 3.43Å; F25-A35 HydrophobicContact CE2-CB 3.52Å; F25-A35 WeakPolarHBondContact CE2-O 3.46Å; F25-A35 HydrophobicContact CZ-CB 4.18Å; F25-A35 WeakPolarHBondContact CZ-O 3.46Å; L28-A35 HydrophobicContact CB-CB 4.39Å; L28-A35 HydrophobicContact CD1-CB 4.01Å; I33-A35 PolarHBondContact O-N 3.25Å
36	V	91.6	Very high	93.4	Very high	65 Å²	65	82.1 Å²	82.1	39%	0.394	42%	0.416	S	S	.	.			trans	-130.8	156.6	176.2	-64	0	0	0	0	110.1	C106	V36-C106 WeakPolarHBondContact CB-O 2.85Å; V36-C106 WeakPolarHBondContact CG2-O 3.34Å
37	G	93.3	Very high	93	Very high	8 Å²	8	82.3 Å²	82.3	8%	0.082	41%	0.413	C	S	.	.			trans	153.2	-173.2	176.3	0	0	0	0	0	112.1	F61 C106	G37-F61 WeakPolarHBondContact O-CD2 3.4Å; G37-F61 PolarHBondContact O-N 2.72Å; G37-C106 PolarHBondContact N-SG 2.87Å
38	F	95.4	Very high	92.5	Very high	58 Å²	58	84 Å²	84	25%	0.254	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.3	-179.9	59.5	-97.4	0	0	0	111.5	V58 V59 L60 F61 F99 A103 L107	F38-V58 HydrophobicContact CB-CG2 3.74Å; F38-V58 HydrophobicContact CD1-CG2 4.39Å; F38-V58 HydrophobicContact CD2-CG2 3.59Å; F38-V58 HydrophobicContact CE2-CG2 4.29Å; F38-V58 HydrophobicContact CG-CG2 3.65Å; F38-V59 CarbonylContact C-O 3.53Å; F38-V59 VanDerWaalsContact CA-O 3.25Å; F38-V59 WeakPolarHBondContact CA-O 3.19Å; F38-V59 VanDerWaalsContact CB-O 3.32Å; F38-V59 WeakPolarHBondContact CB-O 3.32Å; F38-L60 HydrophobicContact CB-CD2 3.95Å; F38-F61 VanDerWaalsContact C-CE2 3.47Å; F38-F61 WeakPolarHBondContact O-CE2 3.25Å; F38-F99 HydrophobicContact CE1-CE2 4.28Å; F38-F99 HydrophobicContact CE1-CZ 4.39Å; F38-F99 AromaticContact CE2-CE2 3.92Å; F38-F99 HydrophobicContact CE2-CE2 3.92Å; F38-F99 HydrophobicContact CE2-CZ 4.46Å; F38-F99 AromaticContact CZ-CE2 3.67Å; F38-F99 HydrophobicContact CZ-CE2 3.67Å; F38-F99 AromaticContact CZ-CZ 3.82Å; F38-F99 HydrophobicContact CZ-CZ 3.82Å; F38-A103 HydrophobicContact CD1-CB 3.87Å; F38-A103 HydrophobicContact CE1-CB 3.61Å; F38-A103 HydrophobicContact CZ-CB 4.2Å; F38-L107 HydrophobicContact CE1-CD1 3.86Å; F38-L107 HydrophobicContact CE1-CD2 4.49Å; F38-L107 HydrophobicContact CE1-CG 4.22Å
39	K	95.5	Very high	92.1	Very high	58 Å²	58	85.5 Å²	85.5	25%	0.252	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	167.1	166.3	57.5	172	168.5	164.2	0	110.2	T18 E41 V59 F61	T18-K39 HydrophobicContact CG2-CB 3.99Å; T18-K39 HydrophobicContact CG2-CD 4.34Å; K39-E41 HydrophobicContact CD-CG 4.38Å; K39-E41 WeakPolarHBondContact CE-OE1 3.48Å; K39-E41 IonicContact NZ-OE1 3.89Å; K39-E41 PolarHBondContact NZ-OE1 3.47Å; K39-V59 HydrophobicContact CG-CB 4.23Å; K39-V59 PolarHBondContact N-O 2.83Å; K39-V59 PolarHBondContact O-N 2.88Å; K39-F61 HydrophobicContact CB-CE1 3.92Å; K39-F61 HydrophobicContact CB-CZ 3.81Å; K39-F61 HydrophobicContact CD-CE1 4.12Å; K39-F61 HydrophobicContact CG-CD1 4.47Å; K39-F61 HydrophobicContact CG-CE1 4.04Å; K39-F61 HydrophobicContact CG-CZ 4.4Å
40	T	95.1	Very high	91.8	Very high	64 Å²	64	88.7 Å²	88.7	39%	0.393	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.5	170.1	60.2	0	0	0	0	110.4	D57 L72	T40-D57 CarbonylContact C-O 3.55Å; T40-D57 WeakPolarHBondContact CA-O 3.4Å; T40-L72 HydrophobicContact CG2-CD2 3.71Å
41	E	95.2	Very high	91.6	Very high	59 Å²	59	83.4 Å²	83.4	28%	0.276	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.7	175.1	-67	-167.9	172.4	0	0	111.4	K39 F56 D57 V59 R69	K39-E41 HydrophobicContact CD-CG 4.38Å; K39-E41 WeakPolarHBondContact CE-OE1 3.48Å; K39-E41 IonicContact NZ-OE1 3.89Å; K39-E41 PolarHBondContact NZ-OE1 3.47Å; E41-F56 CarbonylContact O-C 3.55Å; E41-F56 VanDerWaalsContact O-CA 3.24Å; E41-F56 WeakPolarHBondContact O-CA 3.29Å; E41-D57 PolarHBondContact N-O 2.98Å; E41-D57 PolarHBondContact O-N 3.23Å; E41-V59 HydrophobicContact CB-CG2 4.17Å; E41-V59 HydrophobicContact CG-CG2 3.89Å; E41-R69 IonicContact OE2-CZ 2.72Å; E41-R69 IonicContact OE2-NH1 2.64Å; E41-R69 IonicContact OE2-NH2 3.81Å; E41-R69 PolarHBondContact OE2-NH2 3.41Å
42	E	94.6	Very high	91.4	Very high	69 Å²	69	80 Å²	80	32%	0.322	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.5	179.8	-169.1	-178.7	151.9	0	0	110.6	R44 R53 F56	E42-R44 HydrophobicContact CG-CG 3.8Å; E42-R44 WeakPolarHBondContact OE1-CD 3.48Å; E42-R44 WeakPolarHBondContact OE1-CG 3.41Å; E42-R44 IonicContact OE1-CZ 3.26Å; E42-R44 IonicContact OE1-NE 3.2Å; E42-R44 PolarHBondContact OE1-NE 3Å; E42-R44 IonicContact OE1-NH1 3.12Å; E42-R44 PolarHBondContact OE1-NH1 3.25Å; E42-R44 IonicContact OE2-NH1 2.83Å; E42-R44 PolarHBondContact OE2-NH1 2.83Å; E42-R53 HydrophobicContact CG-CG 3.82Å; E42-R53 WeakPolarHBondContact OE1-CB 3.36Å; E42-R53 WeakPolarHBondContact OE1-CG 3.31Å; E42-R53 IonicContact OE1-CZ 2.78Å; E42-R53 IonicContact OE1-NE 3.53Å; E42-R53 PolarHBondContact OE1-NE 2.82Å; E42-R53 IonicContact OE1-NH2 3.62Å; E42-R53 IonicContact OE2-CZ 3.13Å; E42-R53 IonicContact OE2-NE 2.74Å; E42-R53 PolarHBondContact OE2-NE 3.16Å; E42-R53 IonicContact OE2-NH2 3.38Å; E42-R53 PolarHBondContact OE2-NH2 3.24Å; E42-F56 HydrophobicContact CB-CD1 4.47Å; E42-F56 HydrophobicContact CB-CE1 4.46Å; E42-F56 HydrophobicContact CG-CE1 4.27Å
43	V	95.1	Very high	91.4	Very high	31 Å²	31	81.3 Å²	81.3	19%	0.188	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.5	172.9	-176.8	0	0	0	0	108.3	L54 G55 D57	V43-L54 HydrophobicContact CG1-CB 4.32Å; V43-L54 PolarHBondContact O-N 3.28Å; V43-G55 PolarHBondContact N-O 2.8Å; V43-G55 PolarHBondContact O-N 3.42Å; V43-D57 HydrophobicContact CG2-CB 4.3Å; V43-D57 VanDerWaalsContact CG2-CG 3.46Å; V43-D57 WeakPolarHBondContact CG2-OD2 3.18Å
44	R	94.6	Very high	91.4	Very high	118 Å²	118	79.8 Å²	79.8	45%	0.445	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.4	-179.9	-55.2	-178.9	85.2	128.2	-6.2	110.6	E42 F46 S51 A52	E42-R44 HydrophobicContact CG-CG 3.8Å; E42-R44 WeakPolarHBondContact OE1-CD 3.48Å; E42-R44 WeakPolarHBondContact OE1-CG 3.41Å; E42-R44 IonicContact OE1-CZ 3.26Å; E42-R44 IonicContact OE1-NE 3.2Å; E42-R44 PolarHBondContact OE1-NE 3Å; E42-R44 IonicContact OE1-NH1 3.12Å; E42-R44 PolarHBondContact OE1-NH1 3.25Å; E42-R44 IonicContact OE2-NH1 2.83Å; E42-R44 PolarHBondContact OE2-NH1 2.83Å; R44-F46 HydrophobicContact CB-CE2 4.36Å; R44-S51 WeakPolarHBondContact CB-OG 3.47Å; R44-S51 PolarHBondContact NE-OG 3.44Å; R44-A52 CarbonylContact C-O 3.53Å; R44-A52 VanDerWaalsContact CA-O 3.22Å; R44-A52 WeakPolarHBondContact CA-O 3.4Å
45	Q	91	Very high	91.8	Very high	98 Å²	98	72.1 Å²	72.1	46%	0.458	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.9	169.8	-166.8	175.5	19.3	0	0	109.4	Y47 S51 A52 L54	Q45-Y47 HydrophobicContact CB-CD1 4.23Å; Q45-Y47 HydrophobicContact CB-CE1 3.69Å; Q45-Y47 HydrophobicContact CG-CD1 3.71Å; Q45-Y47 HydrophobicContact CG-CE1 3.58Å; Q45-S51 WeakPolarHBondContact O-CA 3.43Å; Q45-A52 PolarHBondContact N-O 3.08Å; Q45-A52 PolarHBondContact O-N 2.84Å; Q45-L54 HydrophobicContact CB-CD1 3.64Å; Q45-L54 HydrophobicContact CB-CD2 4.15Å; Q45-L54 HydrophobicContact CB-CG 3.79Å; Q45-L54 HydrophobicContact CG-CD1 4.39Å
46	F	90.2	Very high	92.1	Very high	160 Å²	160	73.6 Å²	73.6	70%	0.702	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.7	178.5	-64.9	-90.6	0	0	0	109.7	R44 K50 S51	R44-F46 HydrophobicContact CB-CE2 4.36Å; F46-K50 CarbonylContact C-O 3.59Å; F46-K50 WeakPolarHBondContact CA-O 3.35Å; F46-S51 WeakPolarHBondContact CE1-OG 3.12Å
47	Y	85.2	Confident	92.4	Very high	103 Å²	103	71.1 Å²	71.1	40%	0.404	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.8	175.9	15.2	-100.4	0	0	0	109.2	Q45 G49 K50 A52	Q45-Y47 HydrophobicContact CB-CD1 4.23Å; Q45-Y47 HydrophobicContact CB-CE1 3.69Å; Q45-Y47 HydrophobicContact CG-CD1 3.71Å; Q45-Y47 HydrophobicContact CG-CE1 3.58Å; Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 3.23Å; Y47-G49 VanDerWaalsContact O-N 3.12Å; Y47-K50 HydrophobicContact CD2-CB 4.11Å; Y47-K50 HydrophobicContact CE2-CB 4.48Å; Y47-K50 PolarHBondContact N-O 2.9Å; Y47-K50 PolarHBondContact O-N 3.19Å; Y47-A52 HydrophobicContact CE2-CB 4.05Å; Y47-A52 WeakPolarHBondContact OH-CB 3.3Å
48	S	84.3	Confident	92.6	Very high	133 Å²	133	70.7 Å²	70.7	93%	0.93	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	47.6	171.5	-52.9	0	0	0	0	113.9	K50	S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact O-N 3.3Å
49	G	85.5	Confident	92.6	Very high	89 Å²	89	68.8 Å²	68.8	92%	0.918	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-2.5	179.9	0	0	0	0	0	115.9	Y47	Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 3.23Å; Y47-G49 VanDerWaalsContact O-N 3.12Å
50	K	86	Confident	92.6	Very high	156 Å²	156	66.4 Å²	66.4	68%	0.678	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	148.7	173	-64.5	-179.6	-178.2	177.6	0	110.4	F46 Y47 S48	F46-K50 CarbonylContact C-O 3.59Å; F46-K50 WeakPolarHBondContact CA-O 3.35Å; Y47-K50 HydrophobicContact CD2-CB 4.11Å; Y47-K50 HydrophobicContact CE2-CB 4.48Å; Y47-K50 PolarHBondContact N-O 2.9Å; Y47-K50 PolarHBondContact O-N 3.19Å; S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact O-N 3.3Å
51	S	89.4	Confident	92.5	Very high	40 Å²	40	65.1 Å²	65.1	28%	0.28	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.8	176.2	-179.6	0	0	0	0	109.4	R44 Q45 F46	R44-S51 WeakPolarHBondContact CB-OG 3.47Å; R44-S51 PolarHBondContact NE-OG 3.44Å; Q45-S51 WeakPolarHBondContact O-CA 3.43Å; F46-S51 WeakPolarHBondContact CE1-OG 3.12Å
52	A	91.8	Very high	91.8	Very high	32 Å²	32	65.3 Å²	65.3	26%	0.264	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.8	170	0	0	0	0	0	111.5	R44 Q45 Y47 L54	R44-A52 CarbonylContact C-O 3.53Å; R44-A52 VanDerWaalsContact CA-O 3.22Å; R44-A52 WeakPolarHBondContact CA-O 3.4Å; Q45-A52 PolarHBondContact N-O 3.08Å; Q45-A52 PolarHBondContact O-N 2.84Å; Y47-A52 HydrophobicContact CE2-CB 4.05Å; Y47-A52 WeakPolarHBondContact OH-CB 3.3Å; A52-L54 PolarHBondContact O-N 2.83Å
53	R	93.9	Very high	90.8	Very high	97 Å²	97	66.6 Å²	66.6	37%	0.366	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	112.7	173.1	-179.3	-178.4	-68.2	178.7	-8.5	109.5	E42 I75 Y92	E42-R53 HydrophobicContact CG-CG 3.82Å; E42-R53 WeakPolarHBondContact OE1-CB 3.36Å; E42-R53 WeakPolarHBondContact OE1-CG 3.31Å; E42-R53 IonicContact OE1-CZ 2.78Å; E42-R53 IonicContact OE1-NE 3.53Å; E42-R53 PolarHBondContact OE1-NE 2.82Å; E42-R53 IonicContact OE1-NH2 3.62Å; E42-R53 IonicContact OE2-CZ 3.13Å; E42-R53 IonicContact OE2-NE 2.74Å; E42-R53 PolarHBondContact OE2-NE 3.16Å; E42-R53 IonicContact OE2-NH2 3.38Å; E42-R53 PolarHBondContact OE2-NH2 3.24Å; R53-I75 WeakPolarHBondContact O-CD1 3.5Å; R53-Y92 WeakPolarHBondContact CD-OH 3.37Å; R53-Y92 HydrophobicContact CG-CE1 4.27Å; R53-Y92 WeakPolarHBondContact CG-OH 3.36Å
54	L	94.1	Very high	90	Very high	56 Å²	56	69.6 Å²	69.6	29%	0.293	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-22.8	174.3	-65.4	-171.2	0	0	0	112.8	V43 Q45 A52 R74 I75	V43-L54 HydrophobicContact CG1-CB 4.32Å; V43-L54 PolarHBondContact O-N 3.28Å; Q45-L54 HydrophobicContact CB-CD1 3.64Å; Q45-L54 HydrophobicContact CB-CD2 4.15Å; Q45-L54 HydrophobicContact CB-CG 3.79Å; Q45-L54 HydrophobicContact CG-CD1 4.39Å; A52-L54 PolarHBondContact O-N 2.83Å; L54-R74 CarbonylContact O-C 3.52Å; L54-R74 WeakPolarHBondContact O-CA 3.1Å; L54-I75 PolarHBondContact O-N 3.01Å
55	G	96	Very high	89	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-150.4	179.9	0	0	0	0	0	113.3	V43 A73	V43-G55 PolarHBondContact N-O 2.8Å; V43-G55 PolarHBondContact O-N 3.42Å; G55-A73 CarbonylContact C-O 3.52Å; G55-A73 VanDerWaalsContact CA-O 3.23Å; G55-A73 WeakPolarHBondContact CA-O 3.34Å
56	F	97.3	Very high	88.5	Confident	51 Å²	51	71.8 Å²	71.8	22%	0.224	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	-174.9	-55.4	-85.2	0	0	0	111.2	E41 E42 L72 A73 R74 Y92	E41-F56 CarbonylContact O-C 3.55Å; E41-F56 VanDerWaalsContact O-CA 3.24Å; E41-F56 WeakPolarHBondContact O-CA 3.29Å; E42-F56 HydrophobicContact CB-CD1 4.47Å; E42-F56 HydrophobicContact CB-CE1 4.46Å; E42-F56 HydrophobicContact CG-CE1 4.27Å; F56-L72 HydrophobicContact CB-CD2 4.37Å; F56-L72 WeakPolarHBondContact O-CA 3.47Å; F56-L72 WeakPolarHBondContact O-CB 3.34Å; F56-L72 PolarHBondContact O-N 2.87Å; F56-A73 PolarHBondContact N-O 2.94Å; F56-A73 PolarHBondContact O-N 2.96Å; F56-R74 VanDerWaalsContact C-NH1 3.26Å; F56-R74 PolarHBondContact O-NH1 3.48Å; F56-Y92 HydrophobicContact CE2-CD1 4.41Å; F56-Y92 HydrophobicContact CE2-CD2 4.09Å; F56-Y92 HydrophobicContact CE2-CE1 4.32Å; F56-Y92 AromaticContact CE2-CE2 4Å; F56-Y92 HydrophobicContact CE2-CE2 4Å; F56-Y92 HydrophobicContact CE2-CG 4.32Å
57	D	97.5	Very high	88.2	Confident	13 Å²	13	73.2 Å²	73.2	7%	0.07	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.1	168.7	-71.8	-15.6	0	0	0	110.5	T40 E41 V43 V59 R69 A70 R74	T40-D57 CarbonylContact C-O 3.55Å; T40-D57 WeakPolarHBondContact CA-O 3.4Å; E41-D57 PolarHBondContact N-O 2.98Å; E41-D57 PolarHBondContact O-N 3.23Å; V43-D57 HydrophobicContact CG2-CB 4.3Å; V43-D57 VanDerWaalsContact CG2-CG 3.46Å; V43-D57 WeakPolarHBondContact CG2-OD2 3.18Å; D57-V59 HydrophobicContact CB-CG2 4.28Å; D57-R69 HydrophobicContact CB-CG 4.06Å; D57-R69 WeakPolarHBondContact OD2-CD 3.42Å; D57-R69 IonicContact OD2-CZ 3.5Å; D57-R69 IonicContact OD2-NH1 2.76Å; D57-R69 PolarHBondContact OD2-NH1 2.87Å; D57-A70 WeakPolarHBondContact CA-O 3.29Å; D57-A70 WeakPolarHBondContact CB-O 3.32Å; D57-R74 IonicContact OD1-CZ 2.61Å; D57-R74 IonicContact OD1-NH1 2.85Å; D57-R74 PolarHBondContact OD1-NH1 3.46Å; D57-R74 IonicContact OD1-NH2 3.74Å; D57-R74 PolarHBondContact OD1-NH2 2.93Å; D57-R74 IonicContact OD2-NH2 3.52Å
58	V	96.5	Very high	88.5	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.9	160.1	52.3	0	0	0	0	108.1	F38 R69 A70 L72 F99 L102 A103	F38-V58 HydrophobicContact CB-CG2 3.74Å; F38-V58 HydrophobicContact CD1-CG2 4.39Å; F38-V58 HydrophobicContact CD2-CG2 3.59Å; F38-V58 HydrophobicContact CE2-CG2 4.29Å; F38-V58 HydrophobicContact CG-CG2 3.65Å; V58-R69 WeakPolarHBondContact O-CA 3.24Å; V58-A70 HydrophobicContact CG1-CB 3.88Å; V58-A70 WeakPolarHBondContact CG1-O 3.38Å; V58-A70 PolarHBondContact N-O 3.28Å; V58-A70 PolarHBondContact O-N 3.45Å; V58-L72 HydrophobicContact CB-CB 4.43Å; V58-F99 HydrophobicContact CB-CD2 4.25Å; V58-F99 HydrophobicContact CG1-CD2 4.2Å; V58-F99 HydrophobicContact CG2-CD2 4.35Å; V58-F99 HydrophobicContact CG2-CE2 4.43Å; V58-L102 HydrophobicContact CG1-CD2 4.01Å; V58-L102 HydrophobicContact CG2-CD2 4.49Å; V58-A103 HydrophobicContact CG2-CB 4.47Å
59	V	96.4	Very high	89	Confident	17 Å²	17	69 Å²	69	10%	0.103	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.5	-179.5	-174.7	0	0	0	0	107.9	F38 K39 E41 D57 P68 R69	F38-V59 CarbonylContact C-O 3.53Å; F38-V59 VanDerWaalsContact CA-O 3.25Å; F38-V59 WeakPolarHBondContact CA-O 3.19Å; F38-V59 VanDerWaalsContact CB-O 3.32Å; F38-V59 WeakPolarHBondContact CB-O 3.32Å; K39-V59 HydrophobicContact CG-CB 4.23Å; K39-V59 PolarHBondContact N-O 2.83Å; K39-V59 PolarHBondContact O-N 2.88Å; E41-V59 HydrophobicContact CB-CG2 4.17Å; E41-V59 HydrophobicContact CG-CG2 3.89Å; D57-V59 HydrophobicContact CB-CG2 4.28Å; V59-P68 WeakPolarHBondContact CA-O 3.16Å; V59-R69 HydrophobicContact CG2-CG 4.24Å
60	L	94.9	Very high	89.5	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.2	174.7	-58.9	-170.7	0	0	0	109.7	F38 D62 R65 P68 L102 C106	F38-L60 HydrophobicContact CB-CD2 3.95Å; L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 WeakPolarHBondContact CB-O 3.38Å; L60-R65 HydrophobicContact CD1-CB 4.46Å; L60-R65 HydrophobicContact CD1-CG 3.96Å; L60-P68 HydrophobicContact CB-CB 4.34Å; L60-P68 PolarHBondContact N-O 3.4Å; L60-L102 HydrophobicContact CD1-CD1 3.64Å; L60-L102 HydrophobicContact CD1-CG 4.14Å; L60-L102 HydrophobicContact CD2-CD1 4.29Å; L60-L102 HydrophobicContact CD2-CD2 4.26Å; L60-L102 HydrophobicContact CD2-CG 3.83Å; L60-L102 HydrophobicContact CG-CD1 3.86Å; L60-L102 HydrophobicContact CG-CD2 4.12Å; L60-L102 HydrophobicContact CG-CG 3.87Å; L60-C106 HydrophobicContact CD1-CB 4.32Å; L60-C106 HydrophobicContact CD2-CB 3.67Å
61	F	92.1	Very high	90	Very high	38 Å²	38	59.4 Å²	59.4	17%	0.167	31%	0.308	C	S	.	.	S	Bend	trans	-69	-35.6	171.2	-73.2	-66.6	0	0	0	111.5	V21 F25 G37 F38 K39 S63	V21-F61 HydrophobicContact CG1-CE2 4.17Å; V21-F61 HydrophobicContact CG1-CZ 3.74Å; F25-F61 HydrophobicContact CB-CD1 4.24Å; F25-F61 HydrophobicContact CB-CG 4.33Å; F25-F61 HydrophobicContact CD1-CB 3.5Å; F25-F61 HydrophobicContact CD1-CD1 4.27Å; F25-F61 AromaticContact CD1-CG 3.97Å; F25-F61 HydrophobicContact CD1-CG 3.97Å; F25-F61 HydrophobicContact CD2-CB 3.86Å; F25-F61 AromaticContact CD2-CD2 3.76Å; F25-F61 HydrophobicContact CD2-CD2 3.76Å; F25-F61 HydrophobicContact CD2-CE2 4.48Å; F25-F61 AromaticContact CD2-CG 3.84Å; F25-F61 HydrophobicContact CD2-CG 3.84Å; F25-F61 HydrophobicContact CE1-CB 3.27Å; F25-F61 HydrophobicContact CE1-CG 4.19Å; F25-F61 HydrophobicContact CE2-CB 3.66Å; F25-F61 HydrophobicContact CE2-CD2 4Å; F25-F61 HydrophobicContact CE2-CG 4.07Å; F25-F61 HydrophobicContact CG-CB 3.78Å; F25-F61 HydrophobicContact CG-CD1 4.11Å; F25-F61 HydrophobicContact CG-CD2 4.13Å; F25-F61 AromaticContact CG-CG 3.78Å; F25-F61 HydrophobicContact CG-CG 3.78Å; F25-F61 HydrophobicContact CZ-CB 3.36Å; F25-F61 HydrophobicContact CZ-CG 4.25Å; G37-F61 WeakPolarHBondContact O-CD2 3.4Å; G37-F61 PolarHBondContact O-N 2.72Å; F38-F61 VanDerWaalsContact C-CE2 3.47Å; F38-F61 WeakPolarHBondContact O-CE2 3.25Å; K39-F61 HydrophobicContact CB-CE1 3.92Å; K39-F61 HydrophobicContact CB-CZ 3.81Å; K39-F61 HydrophobicContact CD-CE1 4.12Å; K39-F61 HydrophobicContact CG-CD1 4.47Å; K39-F61 HydrophobicContact CG-CE1 4.04Å; K39-F61 HydrophobicContact CG-CZ 4.4Å; F61-S63 PolarHBondContact O-N 3.38Å
62	D	81.4	Confident	90.3	Very high	63 Å²	63	59.3 Å²	59.3	34%	0.337	30%	0.304	S	S	.	.			trans	-81.4	112.4	171.6	179.4	13.8	0	0	0	110.6	L60 S64	L60-D62 VanDerWaalsContact C-N 3.3Å; L60-D62 WeakPolarHBondContact CB-O 3.38Å; D62-S64 WeakPolarHBondContact OD1-CB 3.4Å; D62-S64 PolarHBondContact OD1-N 3.15Å; D62-S64 PolarHBondContact OD1-OG 3.32Å; D62-S64 PolarHBondContact OD2-OG 3.32Å
63	S	73.4	Confident	90.5	Very high	96 Å²	96	58.1 Å²	58.1	67%	0.671	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	3.9	178.5	59.5	0	0	0	0	113.9	F61 R65	F61-S63 PolarHBondContact O-N 3.38Å; S63-R65 PolarHBondContact O-N 3.09Å
64	S	78	Confident	90.6	Very high	93 Å²	93	56.7 Å²	56.7	65%	0.65	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.9	177.5	72.5	0	0	0	0	113.4	D62	D62-S64 WeakPolarHBondContact OD1-CB 3.4Å; D62-S64 PolarHBondContact OD1-N 3.15Å; D62-S64 PolarHBondContact OD1-OG 3.32Å; D62-S64 PolarHBondContact OD2-OG 3.32Å
65	R	75.2	Confident	90.5	Very high	141 Å²	141	57.1 Å²	57.1	53%	0.532	29%	0.291	S	S	.	.	S	Bend	trans	-72.7	141.4	178.2	-61.7	-100.4	180	-148	-0.1	110.6	L60 S63 Y67 P68	L60-R65 HydrophobicContact CD1-CB 4.46Å; L60-R65 HydrophobicContact CD1-CG 3.96Å; S63-R65 PolarHBondContact O-N 3.09Å; R65-Y67 PolarHBondContact O-N 2.99Å; R65-P68 HydrophobicContact CB-CB 4.44Å; R65-P68 WeakPolarHBondContact O-CD 3.2Å
66	T	80.4	Confident	89.8	Confident	121 Å²	121	60.9 Å²	60.9	74%	0.742	31%	0.31	S	S	*	.	S	Bend	trans	-56.8	-36.7	177.4	-49.1	0	0	0	0	113.1
67	Y	83.6	Confident	88.4	Confident	190 Å²	190	64.1 Å²	64.1	75%	0.745	34%	0.339	S	S	*	.			trans	-128.3	81	178.7	-58.8	-73.6	0	0	0	110	R65 R69 L102	R65-Y67 PolarHBondContact O-N 2.99Å; Y67-R69 PolarHBondContact O-N 3.49Å; Y67-L102 WeakPolarHBondContact O-CD1 3.15Å
68	P	90.4	Very high	86.7	Confident	36 Å²	36	70.5 Å²	70.5	23%	0.234	37%	0.369	C	S	.	.			trans	-83.7	7.9	-174.6	34.5	-33.8	0	0	0	112.9	V59 L60 R65	V59-P68 WeakPolarHBondContact CA-O 3.16Å; L60-P68 HydrophobicContact CB-CB 4.34Å; L60-P68 PolarHBondContact N-O 3.4Å; R65-P68 HydrophobicContact CB-CB 4.44Å; R65-P68 WeakPolarHBondContact O-CD 3.2Å
69	R	95.7	Very high	84.9	Confident	113 Å²	113	75.7 Å²	75.7	43%	0.426	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.7	-176	175.3	-176.7	-67.4	-97.5	-2.4	110.5	E41 D57 V58 V59 Y67	E41-R69 IonicContact OE2-CZ 2.72Å; E41-R69 IonicContact OE2-NH1 2.64Å; E41-R69 IonicContact OE2-NH2 3.81Å; E41-R69 PolarHBondContact OE2-NH2 3.41Å; D57-R69 HydrophobicContact CB-CG 4.06Å; D57-R69 WeakPolarHBondContact OD2-CD 3.42Å; D57-R69 IonicContact OD2-CZ 3.5Å; D57-R69 IonicContact OD2-NH1 2.76Å; D57-R69 PolarHBondContact OD2-NH1 2.87Å; V58-R69 WeakPolarHBondContact O-CA 3.24Å; V59-R69 HydrophobicContact CG2-CG 4.24Å; Y67-R69 PolarHBondContact O-N 3.49Å
70	A	95.7	Very high	83.1	Confident	18 Å²	18	77.6 Å²	77.6	15%	0.149	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159	173.8	0	0	0	0	0	110.9	D57 V58 L72 S98 L102	D57-A70 WeakPolarHBondContact CA-O 3.29Å; D57-A70 WeakPolarHBondContact CB-O 3.32Å; V58-A70 HydrophobicContact CG1-CB 3.88Å; V58-A70 WeakPolarHBondContact CG1-O 3.38Å; V58-A70 PolarHBondContact N-O 3.28Å; V58-A70 PolarHBondContact O-N 3.45Å; A70-L72 PolarHBondContact O-N 2.66Å; A70-S98 VanDerWaalsContact CB-OG 3.32Å; A70-S98 WeakPolarHBondContact CB-OG 3.2Å; A70-L102 HydrophobicContact CB-CB 3.97Å; A70-L102 HydrophobicContact CB-CD2 3.63Å; A70-L102 HydrophobicContact CB-CG 4.4Å
71	S	95.5	Very high	81.6	Confident	25 Å²	25	85.2 Å²	85.2	18%	0.175	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.8	174.9	-161.5	0	0	0	0	109.7	R74 S98	S71-R74 VanDerWaalsContact OG-CZ 3.29Å; S71-R74 PolarHBondContact OG-NH1 3.27Å; S71-S98 PolarHBondContact N-OG 2.84Å; S71-S98 VanDerWaalsContact O-CB 3.24Å; S71-S98 WeakPolarHBondContact O-CB 3.49Å; S71-S98 PolarHBondContact O-OG 2.77Å
72	L	97.1	Very high	80.2	Confident	37 Å²	37	91.3 Å²	91.3	19%	0.194	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-50.6	171.1	171.1	61.7	0	0	0	110.2	T40 F56 V58 A70 V94 D95 F99	T40-L72 HydrophobicContact CG2-CD2 3.71Å; F56-L72 HydrophobicContact CB-CD2 4.37Å; F56-L72 WeakPolarHBondContact O-CA 3.47Å; F56-L72 WeakPolarHBondContact O-CB 3.34Å; F56-L72 PolarHBondContact O-N 2.87Å; V58-L72 HydrophobicContact CB-CB 4.43Å; A70-L72 PolarHBondContact O-N 2.66Å; L72-V94 WeakPolarHBondContact O-CA 3.23Å; L72-D95 PolarHBondContact O-N 2.61Å; L72-F99 HydrophobicContact CD1-CB 4.01Å; L72-F99 HydrophobicContact CD1-CD2 3.64Å; L72-F99 HydrophobicContact CD1-CE2 4.33Å; L72-F99 HydrophobicContact CD1-CG 3.91Å
73	A	96.6	Very high	79.4	Confident	7 Å²	7	89.1 Å²	89.1	6%	0.058	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.7	178.7	0	0	0	0	0	112.1	G55 F56 L93	G55-A73 CarbonylContact C-O 3.52Å; G55-A73 VanDerWaalsContact CA-O 3.23Å; G55-A73 WeakPolarHBondContact CA-O 3.34Å; F56-A73 PolarHBondContact N-O 2.94Å; F56-A73 PolarHBondContact O-N 2.96Å; A73-L93 CarbonylContact C-O 3.53Å; A73-L93 WeakPolarHBondContact CA-O 3.35Å; A73-L93 WeakPolarHBondContact CB-O 3.46Å
74	R	94.7	Very high	79.1	Confident	68 Å²	68	91.4 Å²	91.4	26%	0.257	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.2	179.9	-67.9	-63.2	-171.6	-94.5	0.4	112.3	L54 F56 D57 S71 Y92 L93	L54-R74 CarbonylContact O-C 3.52Å; L54-R74 WeakPolarHBondContact O-CA 3.1Å; F56-R74 VanDerWaalsContact C-NH1 3.26Å; F56-R74 PolarHBondContact O-NH1 3.48Å; D57-R74 IonicContact OD1-CZ 2.61Å; D57-R74 IonicContact OD1-NH1 2.85Å; D57-R74 PolarHBondContact OD1-NH1 3.46Å; D57-R74 IonicContact OD1-NH2 3.74Å; D57-R74 PolarHBondContact OD1-NH2 2.93Å; D57-R74 IonicContact OD2-NH2 3.52Å; S71-R74 VanDerWaalsContact OG-CZ 3.29Å; S71-R74 PolarHBondContact OG-NH1 3.27Å; R74-Y92 WeakPolarHBondContact O-CA 3.38Å; R74-L93 PolarHBondContact N-O 3.27Å; R74-L93 PolarHBondContact O-N 3.26Å
75	I	91.3	Very high	79.2	Confident	64 Å²	64	98 Å²	98	33%	0.328	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.1	163.3	-58.9	179.8	0	0	0	107.2	R53 L54 Q91 Y92	R53-I75 WeakPolarHBondContact O-CD1 3.5Å; L54-I75 PolarHBondContact O-N 3.01Å; I75-Q91 HydrophobicContact CD1-CG 4.2Å; I75-Q91 HydrophobicContact CG1-CG 4.09Å; I75-Y92 HydrophobicContact CD1-CE1 3.87Å; I75-Y92 HydrophobicContact CG1-CD1 3.69Å; I75-Y92 HydrophobicContact CG1-CE1 3.41Å; I75-Y92 VanDerWaalsContact CG1-CE1 3.41Å
76	I	81.4	Confident	79.6	Confident	80 Å²	80	94.9 Å²	94.9	41%	0.41	47%	0.474	S	S	.	.			trans	-116.4	129.1	172.9	-72.1	163	0	0	0	108.2	Q78 V83 L93	I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 HydrophobicContact CG2-CB 4.49Å; I76-Q78 WeakPolarHBondContact CG2-O 3.24Å; I76-V83 HydrophobicContact CG2-CG1 4.33Å; I76-L93 HydrophobicContact CD1-CB 3.85Å; I76-L93 HydrophobicContact CD1-CD2 3.28Å; I76-L93 HydrophobicContact CD1-CG 4.2Å
77	S	69.1	Low	80.2	Confident	119 Å²	119	92 Å²	92	83%	0.832	46%	0.458	S	S	*	.			trans	-79.5	-15.2	179.7	35.5	0	0	0	0	113.3
78	Q	60.9	Low	80.6	Confident	147 Å²	147	89.2 Å²	89.2	69%	0.687	45%	0.446	S	S	*	.			trans	-116.5	128.6	-168.1	-65.2	-175.1	-7.8	0	0	113.3	I76 S80	I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 HydrophobicContact CG2-CB 4.49Å; I76-Q78 WeakPolarHBondContact CG2-O 3.24Å; Q78-S80 VanDerWaalsContact C-N 3.33Å; Q78-S80 PolarHBondContact O-N 2.64Å; Q78-S80 VanDerWaalsContact O-N 3.16Å
79	S	58.8	Low	80.6	Confident	109 Å²	109	92.4 Å²	92.4	76%	0.762	47%	0.465	S	S	*	.			trans	-84.2	66.7	175.1	56.4	0	0	0	0	111
80	S	58.9	Low	80.4	Confident	57 Å²	57	90.6 Å²	90.6	40%	0.399	48%	0.481	S	S	.	.			trans	-75.2	147	163.5	68.7	0	0	0	0	109.2	Q78 Q82 V83 Q84	Q78-S80 VanDerWaalsContact C-N 3.33Å; Q78-S80 PolarHBondContact O-N 2.64Å; Q78-S80 VanDerWaalsContact O-N 3.16Å; S80-Q82 PolarHBondContact O-N 2.9Å; S80-V83 WeakPolarHBondContact O-CB 3.41Å; S80-V83 PolarHBondContact O-N 3.07Å; S80-V83 WeakPolarHBondContact OG-CB 3.34Å; S80-V83 WeakPolarHBondContact OG-CG2 3.26Å; S80-Q84 PolarHBondContact O-N 2.85Å
81	Q	62.5	Low	80.2	Confident	168 Å²	168	95.5 Å²	95.5	79%	0.785	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-32.2	-179.9	-68.3	-174.7	11.3	0	0	112.3	V83 Q84	Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 3.03Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 2.79Å; Q81-Q84 VanDerWaalsContact O-N 3.1Å
82	Q	63.1	Low	80.1	Confident	166 Å²	166	95.7 Å²	95.7	78%	0.776	50%	0.497	S	S	*	.	H	α-helix	trans	-61.1	-38.9	174.2	-72.1	-170.1	-28.3	0	0	111.8	S80 Q84 R85	S80-Q82 PolarHBondContact O-N 2.9Å; Q82-Q84 PolarHBondContact O-N 2.85Å; Q82-R85 PolarHBondContact O-N 2.92Å
83	V	64.2	Low	80	Confident	17 Å²	17	94.4 Å²	94.4	10%	0.103	49%	0.491	C	S	.	.	H	α-helix	trans	-67.6	-21.9	176.4	164.5	0	0	0	0	111.9	I76 S80 Q81 R85 R88 L93	I76-V83 HydrophobicContact CG2-CG1 4.33Å; S80-V83 WeakPolarHBondContact O-CB 3.41Å; S80-V83 PolarHBondContact O-N 3.07Å; S80-V83 WeakPolarHBondContact OG-CB 3.34Å; S80-V83 WeakPolarHBondContact OG-CG2 3.26Å; Q81-V83 VanDerWaalsContact C-N 3.28Å; Q81-V83 PolarHBondContact O-N 3.03Å; V83-R85 VanDerWaalsContact C-N 3.31Å; V83-R85 PolarHBondContact O-N 3.24Å; V83-R88 PolarHBondContact O-NH2 3.42Å; V83-L93 HydrophobicContact CB-CD2 4.09Å; V83-L93 HydrophobicContact CG1-CD1 4.31Å; V83-L93 HydrophobicContact CG1-CD2 3.56Å; V83-L93 HydrophobicContact CG2-CD2 3.93Å
84	Q	67.8	Low	79.9	Confident	143 Å²	143	95.4 Å²	95.4	67%	0.668	50%	0.496	S	S	*	.	H	α-helix	trans	-70.9	-23.7	175.3	-69.5	-167.7	-4.3	0	0	113.7	S80 Q81 Q82	S80-Q84 PolarHBondContact O-N 2.85Å; Q81-Q84 WeakPolarHBondContact O-CB 3.45Å; Q81-Q84 PolarHBondContact O-N 2.79Å; Q81-Q84 VanDerWaalsContact O-N 3.1Å; Q82-Q84 PolarHBondContact O-N 2.85Å
85	R	80.5	Confident	79.8	Confident	231 Å²	231	94.9 Å²	94.9	87%	0.872	50%	0.498	S	S	*	.	S	Bend	trans	-88.9	-13.7	-178.9	-65.4	-172.5	-179.5	-175.9	0.5	114	Q82 V83	Q82-R85 PolarHBondContact O-N 2.92Å; V83-R85 VanDerWaalsContact C-N 3.31Å; V83-R85 PolarHBondContact O-N 3.24Å
86	Q	84.2	Confident	80	Confident	77 Å²	77	95 Å²	95	36%	0.36	50%	0.499	S	S	.	.	S	Bend	trans	-79.9	143.2	-179.6	-72.4	176.7	-58.4	0	0	111.1	L93	Q86-L93 HydrophobicContact CB-CD1 3.59Å; Q86-L93 HydrophobicContact CB-CD2 4.02Å; Q86-L93 HydrophobicContact CB-CG 3.77Å
87	P	92.8	Very high	80.6	Confident	61 Å²	61	95.5 Å²	95.5	40%	0.396	51%	0.51	S	S	.	.			trans	-60.4	148	178.4	-20.3	30.8	0	0	0	112.2	V94 I96	P87-V94 HydrophobicContact CB-CB 4.26Å; P87-V94 HydrophobicContact CB-CG2 4.43Å; P87-V94 PolarHBondContact O-N 3.1Å; P87-I96 VanDerWaalsContact CD-CD1 3.46Å; P87-I96 HydrophobicContact CG-CD1 3.43Å; P87-I96 VanDerWaalsContact CG-CD1 3.43Å; P87-I96 HydrophobicContact CG-CG1 4.02Å
88	R	91.1	Very high	81.8	Confident	131 Å²	131	90.9 Å²	90.9	49%	0.494	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.8	-178.5	-66.8	179.7	-170.8	-158.6	2	111.8	V83 Y92 L93	V83-R88 PolarHBondContact O-NH2 3.42Å; R88-Y92 CarbonylContact C-O 3.54Å; R88-Y92 VanDerWaalsContact CA-O 3.26Å; R88-Y92 WeakPolarHBondContact CA-O 3.39Å; R88-L93 HydrophobicContact CG-CD1 3.31Å; R88-L93 VanDerWaalsContact NE-CD1 3.27Å
89	V	91.7	Very high	83.5	Confident	103 Å²	103	86.6 Å²	86.6	62%	0.624	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	102.6	168.1	-177.4	0	0	0	0	107.7	Q91 Y92 V94	V89-Q91 PolarHBondContact O-N 3.24Å; V89-Y92 PolarHBondContact N-O 3.03Å; V89-Y92 WeakPolarHBondContact O-CD2 3.49Å; V89-Y92 PolarHBondContact O-N 3.32Å; V89-Y92 VanDerWaalsContact O-N 3.07Å; V89-V94 HydrophobicContact CG2-CG2 4.3Å
90	G	91.3	Very high	85.2	Confident	74 Å²	74	86 Å²	86	76%	0.763	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-123.3	-170.1	0	0	0	0	0	111.2	Y92	G90-Y92 VanDerWaalsContact C-N 3.32Å
91	Q	91.3	Very high	86.9	Confident	121 Å²	121	87.2 Å²	87.2	57%	0.565	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.7	178.9	65.1	-179.4	-5.2	0	0	114.8	I75 V89	I75-Q91 HydrophobicContact CD1-CG 4.2Å; I75-Q91 HydrophobicContact CG1-CG 4.09Å; V89-Q91 PolarHBondContact O-N 3.24Å
92	Y	93.4	Very high	88.3	Confident	29 Å²	29	80.2 Å²	80.2	11%	0.114	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.4	-174.3	-56.4	-76	0	0	0	111	R53 F56 R74 I75 R88 V89 G90	R53-Y92 WeakPolarHBondContact CD-OH 3.37Å; R53-Y92 HydrophobicContact CG-CE1 4.27Å; R53-Y92 WeakPolarHBondContact CG-OH 3.36Å; F56-Y92 HydrophobicContact CE2-CD1 4.41Å; F56-Y92 HydrophobicContact CE2-CD2 4.09Å; F56-Y92 HydrophobicContact CE2-CE1 4.32Å; F56-Y92 AromaticContact CE2-CE2 4Å; F56-Y92 HydrophobicContact CE2-CE2 4Å; F56-Y92 HydrophobicContact CE2-CG 4.32Å; R74-Y92 WeakPolarHBondContact O-CA 3.38Å; I75-Y92 HydrophobicContact CD1-CE1 3.87Å; I75-Y92 HydrophobicContact CG1-CD1 3.69Å; I75-Y92 HydrophobicContact CG1-CE1 3.41Å; I75-Y92 VanDerWaalsContact CG1-CE1 3.41Å; R88-Y92 CarbonylContact C-O 3.54Å; R88-Y92 VanDerWaalsContact CA-O 3.26Å; R88-Y92 WeakPolarHBondContact CA-O 3.39Å; V89-Y92 PolarHBondContact N-O 3.03Å; V89-Y92 WeakPolarHBondContact O-CD2 3.49Å; V89-Y92 PolarHBondContact O-N 3.32Å; V89-Y92 VanDerWaalsContact O-N 3.07Å; G90-Y92 VanDerWaalsContact C-N 3.32Å
93	L	94.1	Very high	89.8	Confident	10 Å²	10	72.3 Å²	72.3	5%	0.052	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.7	168.3	-158.1	65.6	0	0	0	109.1	A73 R74 I76 V83 Q86 R88	A73-L93 CarbonylContact C-O 3.53Å; A73-L93 WeakPolarHBondContact CA-O 3.35Å; A73-L93 WeakPolarHBondContact CB-O 3.46Å; R74-L93 PolarHBondContact N-O 3.27Å; R74-L93 PolarHBondContact O-N 3.26Å; I76-L93 HydrophobicContact CD1-CB 3.85Å; I76-L93 HydrophobicContact CD1-CD2 3.28Å; I76-L93 HydrophobicContact CD1-CG 4.2Å; V83-L93 HydrophobicContact CB-CD2 4.09Å; V83-L93 HydrophobicContact CG1-CD1 4.31Å; V83-L93 HydrophobicContact CG1-CD2 3.56Å; V83-L93 HydrophobicContact CG2-CD2 3.93Å; Q86-L93 HydrophobicContact CB-CD1 3.59Å; Q86-L93 HydrophobicContact CB-CD2 4.02Å; Q86-L93 HydrophobicContact CB-CG 3.77Å; R88-L93 HydrophobicContact CG-CD1 3.31Å; R88-L93 VanDerWaalsContact NE-CD1 3.27Å
94	V	94.5	Very high	91.2	Very high	29 Å²	29	74.8 Å²	74.8	18%	0.176	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125	178.7	-177.6	0	0	0	0	109.2	L72 P87 V89 I96	L72-V94 WeakPolarHBondContact O-CA 3.23Å; P87-V94 HydrophobicContact CB-CB 4.26Å; P87-V94 HydrophobicContact CB-CG2 4.43Å; P87-V94 PolarHBondContact O-N 3.1Å; V89-V94 HydrophobicContact CG2-CG2 4.3Å; V94-I96 HydrophobicContact CG1-CG1 4.32Å; V94-I96 PolarHBondContact O-N 2.85Å
95	D	93.8	Very high	92.3	Very high	56 Å²	56	71 Å²	71	30%	0.299	38%	0.382	S	S	.	.			trans	-88.4	84.8	171.8	-170.3	-17.4	0	0	0	109.1	L72 S97 S98 F99	L72-D95 PolarHBondContact O-N 2.61Å; D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 3.47Å; D95-S97 PolarHBondContact OD1-N 3.02Å; D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD1-CB 3.29Å; D95-S98 WeakPolarHBondContact OD1-CB 3.19Å; D95-S98 PolarHBondContact OD1-N 2.88Å; D95-S98 WeakPolarHBondContact OD2-CB 3.08Å; D95-F99 WeakPolarHBondContact O-CB 3.48Å; D95-F99 PolarHBondContact O-N 2.74Å
96	I	94.4	Very high	92.7	Very high	67 Å²	67	60.6 Å²	60.6	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-47.7	-179.4	-61	167.2	0	0	0	110.3	P87 V94 S98 F99 E100	P87-I96 VanDerWaalsContact CD-CD1 3.46Å; P87-I96 HydrophobicContact CG-CD1 3.43Å; P87-I96 VanDerWaalsContact CG-CD1 3.43Å; P87-I96 HydrophobicContact CG-CG1 4.02Å; V94-I96 HydrophobicContact CG1-CG1 4.32Å; V94-I96 PolarHBondContact O-N 2.85Å; I96-S98 VanDerWaalsContact C-N 3.35Å; I96-S98 PolarHBondContact O-N 3.22Å; I96-F99 PolarHBondContact O-N 2.79Å; I96-E100 HydrophobicContact CG2-CG 3.77Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.37Å; I96-E100 WeakPolarHBondContact O-CB 3.11Å; I96-E100 VanDerWaalsContact O-CG 3.31Å; I96-E100 WeakPolarHBondContact O-CG 3.49Å; I96-E100 PolarHBondContact O-N 3.26Å
97	S	94.4	Very high	93	Very high	91 Å²	91	61.6 Å²	61.6	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-61.5	-45.6	-174.6	-174	0	0	0	0	111.3	D95 S101	D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 3.47Å; D95-S97 PolarHBondContact OD1-N 3.02Å; S97-S101 VanDerWaalsContact O-CB 3.29Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 2.87Å; S97-S101 VanDerWaalsContact O-N 3.08Å; S97-S101 PolarHBondContact O-OG 2.85Å
98	S	94.3	Very high	92.6	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-47.2	176.6	170.6	0	0	0	0	111.1	A70 S71 D95 I96 S101	A70-S98 VanDerWaalsContact CB-OG 3.32Å; A70-S98 WeakPolarHBondContact CB-OG 3.2Å; S71-S98 PolarHBondContact N-OG 2.84Å; S71-S98 VanDerWaalsContact O-CB 3.24Å; S71-S98 WeakPolarHBondContact O-CB 3.49Å; S71-S98 PolarHBondContact O-OG 2.77Å; D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD1-CB 3.29Å; D95-S98 WeakPolarHBondContact OD1-CB 3.19Å; D95-S98 PolarHBondContact OD1-N 2.88Å; D95-S98 WeakPolarHBondContact OD2-CB 3.08Å; I96-S98 VanDerWaalsContact C-N 3.35Å; I96-S98 PolarHBondContact O-N 3.22Å; S98-S101 PolarHBondContact O-OG 3.42Å
99	F	95.3	Very high	91.3	Very high	56 Å²	56	65.1 Å²	65.1	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-59.1	-52.5	177.3	171.3	-106.3	0	0	0	112.5	F38 V58 L72 D95 I96 S101 L102 A103	F38-F99 HydrophobicContact CE1-CE2 4.28Å; F38-F99 HydrophobicContact CE1-CZ 4.39Å; F38-F99 AromaticContact CE2-CE2 3.92Å; F38-F99 HydrophobicContact CE2-CE2 3.92Å; F38-F99 HydrophobicContact CE2-CZ 4.46Å; F38-F99 AromaticContact CZ-CE2 3.67Å; F38-F99 HydrophobicContact CZ-CE2 3.67Å; F38-F99 AromaticContact CZ-CZ 3.82Å; F38-F99 HydrophobicContact CZ-CZ 3.82Å; V58-F99 HydrophobicContact CB-CD2 4.25Å; V58-F99 HydrophobicContact CG1-CD2 4.2Å; V58-F99 HydrophobicContact CG2-CD2 4.35Å; V58-F99 HydrophobicContact CG2-CE2 4.43Å; L72-F99 HydrophobicContact CD1-CB 4.01Å; L72-F99 HydrophobicContact CD1-CD2 3.64Å; L72-F99 HydrophobicContact CD1-CE2 4.33Å; L72-F99 HydrophobicContact CD1-CG 3.91Å; D95-F99 WeakPolarHBondContact O-CB 3.48Å; D95-F99 PolarHBondContact O-N 2.74Å; I96-F99 PolarHBondContact O-N 2.79Å; F99-S101 VanDerWaalsContact C-N 3.34Å; F99-S101 PolarHBondContact O-N 2.83Å; F99-L102 PolarHBondContact O-N 2.76Å; F99-A103 HydrophobicContact CD2-CB 3.74Å; F99-A103 HydrophobicContact CE1-CB 4.19Å; F99-A103 HydrophobicContact CE2-CB 3.35Å; F99-A103 HydrophobicContact CG-CB 4.33Å; F99-A103 HydrophobicContact CZ-CB 3.61Å; F99-A103 WeakPolarHBondContact O-CB 3.42Å; F99-A103 PolarHBondContact O-N 3.35Å
100	E	95.4	Very high	89.6	Confident	96 Å²	96	68.8 Å²	68.8	45%	0.449	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-40.5	-175.7	-72	-172.8	162.5	0	0	112	I96 L102 I104 P105	I96-E100 HydrophobicContact CG2-CG 3.77Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.37Å; I96-E100 WeakPolarHBondContact O-CB 3.11Å; I96-E100 VanDerWaalsContact O-CG 3.31Å; I96-E100 WeakPolarHBondContact O-CG 3.49Å; I96-E100 PolarHBondContact O-N 3.26Å; E100-L102 PolarHBondContact O-N 3.2Å; E100-L102 VanDerWaalsContact O-N 3.16Å; E100-I104 HydrophobicContact CB-CD1 3.76Å; E100-I104 HydrophobicContact CB-CG1 4.31Å; E100-I104 HydrophobicContact CG-CD1 3.62Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 WeakPolarHBondContact O-CB 3.48Å; E100-I104 PolarHBondContact O-N 3.3Å; E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.49Å
101	S	93.9	Very high	89.5	Confident	84 Å²	84	68.6 Å²	68.6	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-59.7	-27.1	179.4	72.6	0	0	0	0	113.8	S97 S98 F99	S97-S101 VanDerWaalsContact O-CB 3.29Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 2.87Å; S97-S101 VanDerWaalsContact O-N 3.08Å; S97-S101 PolarHBondContact O-OG 2.85Å; S98-S101 PolarHBondContact O-OG 3.42Å; F99-S101 VanDerWaalsContact C-N 3.34Å; F99-S101 PolarHBondContact O-N 2.83Å
102	L	93.7	Very high	89.4	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-103.2	-48.1	-179	-173.5	67	0	0	0	112.7	V58 L60 Y67 A70 F99 E100	V58-L102 HydrophobicContact CG1-CD2 4.01Å; V58-L102 HydrophobicContact CG2-CD2 4.49Å; L60-L102 HydrophobicContact CD1-CD1 3.64Å; L60-L102 HydrophobicContact CD1-CG 4.14Å; L60-L102 HydrophobicContact CD2-CD1 4.29Å; L60-L102 HydrophobicContact CD2-CD2 4.26Å; L60-L102 HydrophobicContact CD2-CG 3.83Å; L60-L102 HydrophobicContact CG-CD1 3.86Å; L60-L102 HydrophobicContact CG-CD2 4.12Å; L60-L102 HydrophobicContact CG-CG 3.87Å; Y67-L102 WeakPolarHBondContact O-CD1 3.15Å; A70-L102 HydrophobicContact CB-CB 3.97Å; A70-L102 HydrophobicContact CB-CD2 3.63Å; A70-L102 HydrophobicContact CB-CG 4.4Å; F99-L102 PolarHBondContact O-N 2.76Å; E100-L102 PolarHBondContact O-N 3.2Å; E100-L102 VanDerWaalsContact O-N 3.16Å
103	A	92.8	Very high	89.2	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.008	40%	0.395	C	S	.	.	H	α-helix	trans	-77.6	-40.9	-169.6	0	0	0	0	0	112.9	F38 V58 F99 C106 L107	F38-A103 HydrophobicContact CD1-CB 3.87Å; F38-A103 HydrophobicContact CE1-CB 3.61Å; F38-A103 HydrophobicContact CZ-CB 4.2Å; V58-A103 HydrophobicContact CG2-CB 4.47Å; F99-A103 HydrophobicContact CD2-CB 3.74Å; F99-A103 HydrophobicContact CE1-CB 4.19Å; F99-A103 HydrophobicContact CE2-CB 3.35Å; F99-A103 HydrophobicContact CG-CB 4.33Å; F99-A103 HydrophobicContact CZ-CB 3.61Å; F99-A103 WeakPolarHBondContact O-CB 3.42Å; F99-A103 PolarHBondContact O-N 3.35Å; A103-C106 WeakPolarHBondContact O-CB 3.05Å; A103-C106 PolarHBondContact O-N 3.16Å; A103-L107 WeakPolarHBondContact O-CG 3.22Å; A103-L107 PolarHBondContact O-N 3.37Å
104	I	94	Very high	88.9	Confident	69 Å²	69	71.2 Å²	71.2	35%	0.354	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-50.6	-176.5	-64.7	179.5	0	0	0	111	E100 C106 L107 Q108	E100-I104 HydrophobicContact CB-CD1 3.76Å; E100-I104 HydrophobicContact CB-CG1 4.31Å; E100-I104 HydrophobicContact CG-CD1 3.62Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 WeakPolarHBondContact O-CB 3.48Å; E100-I104 PolarHBondContact O-N 3.3Å; I104-C106 PolarHBondContact O-N 2.86Å; I104-C106 VanDerWaalsContact O-N 3.16Å; I104-L107 PolarHBondContact O-N 2.94Å; I104-Q108 HydrophobicContact CG2-CG 4.31Å; I104-Q108 WeakPolarHBondContact O-CG 3.36Å; I104-Q108 PolarHBondContact O-N 2.95Å; I104-Q108 VanDerWaalsContact O-N 3.12Å
105	P	91.2	Very high	88.6	Confident	64 Å²	64	73.9 Å²	73.9	42%	0.416	43%	0.43	S	S	.	.	H	α-helix	trans	-61.1	-26.5	177.6	-24.8	35.6	0	0	0	113.5	E100	E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.49Å
106	C	89.6	Confident	88.2	Confident	12 Å²	12	75.1 Å²	75.1	8%	0.081	44%	0.439	C	S	.	.	H	α-helix	trans	-70.3	-35.9	175.6	176	0	0	0	0	112.6	V36 G37 L60 A103 I104	V36-C106 WeakPolarHBondContact CB-O 2.85Å; V36-C106 WeakPolarHBondContact CG2-O 3.34Å; G37-C106 PolarHBondContact N-SG 2.87Å; L60-C106 HydrophobicContact CD1-CB 4.32Å; L60-C106 HydrophobicContact CD2-CB 3.67Å; A103-C106 WeakPolarHBondContact O-CB 3.05Å; A103-C106 PolarHBondContact O-N 3.16Å; I104-C106 PolarHBondContact O-N 2.86Å; I104-C106 VanDerWaalsContact O-N 3.16Å
107	L	89.4	Confident	87.8	Confident	98 Å²	98	75.6 Å²	75.6	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-86.8	-16.4	-177.8	-66.1	-179.1	0	0	0	113.5	F38 A103 I104 V109	F38-L107 HydrophobicContact CE1-CD1 3.86Å; F38-L107 HydrophobicContact CE1-CD2 4.49Å; F38-L107 HydrophobicContact CE1-CG 4.22Å; A103-L107 WeakPolarHBondContact O-CG 3.22Å; A103-L107 PolarHBondContact O-N 3.37Å; I104-L107 PolarHBondContact O-N 2.94Å; L107-V109 PolarHBondContact O-N 2.84Å
108	Q	85.2	Confident	87.3	Confident	129 Å²	129	74.5 Å²	74.5	60%	0.603	43%	0.431	S	S	*	.	S	Bend	trans	-75.9	110.6	174.9	-72.4	-178.6	-31.5	0	0	109.3	I104 S110	I104-Q108 HydrophobicContact CG2-CG 4.31Å; I104-Q108 WeakPolarHBondContact O-CG 3.36Å; I104-Q108 PolarHBondContact O-N 2.95Å; I104-Q108 VanDerWaalsContact O-N 3.12Å; Q108-S110 PolarHBondContact O-N 3.12Å
109	V	62.9	Low	86.7	Confident	136 Å²	136	78.8 Å²	78.8	82%	0.824	45%	0.454	S	S	*	.			trans	-59.7	119.4	171.2	-172.8	0	0	0	0	107.4	L107	L107-V109 PolarHBondContact O-N 2.84Å
110	S	56.8	Low	85.9	Confident	181 Å²	181	80.9 Å²	80.9	100%	1.266	47%	0.473	S	S	*	.			trans	-79.1	0	166.4	-58.5	0	0	0	0	110.4	Q108	Q108-S110 PolarHBondContact O-N 3.12Å

Retrieved 110 of 110 residues in 104.9 ms (Link to these results)

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