G4VAV4_SCHMA Loading...

Putative bucentaur

AlphaFold DB , UniProt , Accession G4VAV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 126 aa.

						>G4VAV4_SCHMA|G4VAV4
MNVIQCYAPTNDRNDDDKDQFYPRLQSIIAKSSRKNLTILMGDLNAKVGVNNTGYEDIIGRHGLGERNKNGERLANLCAFNKSVIGGTVFPHKHIRKATWVYLAGSYHREPDISYLHQQKMEQWKI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	86	Confident	89.9	Confident	141 Å²	141	67.9 Å²	67.9	70%	0.695	34%	0.343	S	S	*	.				0	136.6	0	177.8	174.6	70.9	0	0	107.8	L37 I39	M1-L37 CarbonylContact C-O 3.6Å; M1-L37 VanDerWaalsContact CA-O 3.25Å; M1-L37 WeakPolarHBondContact CA-O 3.46Å; M1-L37 HydrophobicContact CG-CD2 4.47Å; M1-L37 HydrophobicContact CG-CG 4.37Å; M1-L37 HydrophobicContact SD-CD2 4.28Å; M1-I39 HydrophobicContact SD-CD1 4.27Å
2	N	89.4	Confident	89.8	Confident	45 Å²	45	74.9 Å²	74.9	24%	0.241	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.7	176	-52.1	-46.4	0	0	0	108.8	S32 L37 T38 I39	N2-S32 WeakPolarHBondContact ND2-CB 3.35Å; N2-L37 PolarHBondContact N-O 2.94Å; N2-T38 HydrophobicContact CB-CG2 4.35Å; N2-T38 PolarHBondContact ND2-OG1 3.1Å; N2-T38 CarbonylContact O-C 3.04Å; N2-T38 WeakPolarHBondContact O-CA 3.25Å; N2-I39 PolarHBondContact O-N 3.02Å
3	V	89.9	Confident	89.9	Confident	81 Å²	81	80 Å²	80	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.4	173.1	-177.2	0	0	0	0	107.5	I39 M41	V3-I39 CarbonylContact C-O 3.48Å; V3-I39 WeakPolarHBondContact CA-O 3.18Å; V3-M41 HydrophobicContact CG1-CG 4.06Å; V3-M41 HydrophobicContact CG1-SD 3.59Å; V3-M41 VanDerWaalsContact CG1-SD 3.59Å
4	I	91.2	Very high	90.1	Very high	18 Å²	18	79.9 Å²	79.9	9%	0.092	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.3	176.7	-59.3	168	0	0	0	106.2	L25 I28 I29 T38 I39 L40 M41	I4-L25 HydrophobicContact CG2-CD1 4.06Å; I4-I28 HydrophobicContact CD1-CG2 3.96Å; I4-I28 HydrophobicContact CG1-CG2 4.27Å; I4-I28 HydrophobicContact CG2-CG2 4.36Å; I4-I29 HydrophobicContact CD1-CG1 3.8Å; I4-T38 HydrophobicContact CD1-CG2 3.82Å; I4-T38 HydrophobicContact CG1-CG2 4.42Å; I4-I39 PolarHBondContact N-O 3.2Å; I4-L40 HydrophobicContact CB-CD1 4.02Å; I4-L40 HydrophobicContact CG2-CD1 3.72Å; I4-L40 CarbonylContact O-C 3.55Å; I4-L40 WeakPolarHBondContact O-CA 3.34Å; I4-M41 PolarHBondContact O-N 2.69Å
5	Q	91.7	Very high	90.3	Very high	153 Å²	153	79.1 Å²	79.1	72%	0.715	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	131	171.6	-173.5	173.8	-19.8	0	0	109.2	M41	Q5-M41 CarbonylContact C-O 3.57Å; Q5-M41 VanDerWaalsContact CA-O 3.28Å; Q5-M41 WeakPolarHBondContact CA-O 3.38Å; Q5-M41 HydrophobicContact CB-CG 4.24Å; Q5-M41 HydrophobicContact CG-CG 4.42Å
6	C	90.9	Very high	90.5	Very high	21 Å²	21	81.8 Å²	81.8	14%	0.142	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.3	179.3	69	0	0	0	0	112.4	F21 L40 M41 G42 D43 L44	C6-F21 HydrophobicContact CB-CZ 4.19Å; C6-L40 VanDerWaalsContact SG-CD1 3.59Å; C6-M41 PolarHBondContact N-O 2.9Å; C6-G42 CarbonylContact O-C 3.56Å; C6-G42 WeakPolarHBondContact O-CA 3.3Å; C6-D43 PolarHBondContact O-N 2.95Å; C6-D43 VanDerWaalsContact O-N 3.15Å; C6-L44 WeakPolarHBondContact SG-CD2 3.48Å
7	Y	90.3	Very high	90.7	Very high	149 Å²	149	79.8 Å²	79.8	58%	0.584	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	110.8	170.2	-170.5	-92.1	0	0	0	107	F21 D43	Y7-F21 WeakPolarHBondContact O-CE2 3.45Å; Y7-D43 CarbonylContact C-O 3.6Å; Y7-D43 WeakPolarHBondContact CA-O 3.1Å; Y7-D43 HydrophobicContact CD2-CB 3.55Å; Y7-D43 HydrophobicContact CE2-CB 3.6Å; Y7-D43 VanDerWaalsContact CE2-OD2 3.26Å; Y7-D43 WeakPolarHBondContact CE2-OD2 3.4Å
8	A	91.3	Very high	90.7	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-81.5	154.9	-178	0	0	0	0	0	111.2	F21 D43 L44 N45	A8-F21 VanDerWaalsContact CA-CZ 3.48Å; A8-F21 HydrophobicContact CB-CD1 4.2Å; A8-F21 HydrophobicContact CB-CE1 3.52Å; A8-F21 HydrophobicContact CB-CE2 4.47Å; A8-F21 HydrophobicContact CB-CZ 3.68Å; A8-D43 PolarHBondContact N-O 3.2Å; A8-L44 HydrophobicContact CB-CD2 4.5Å; A8-L44 VanDerWaalsContact CB-O 3.32Å; A8-L44 WeakPolarHBondContact CB-O 3.28Å; A8-N45 PolarHBondContact O-ND2 3.24Å
9	P	93	Very high	90.7	Very high	24 Å²	24	75.6 Å²	75.6	16%	0.156	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.6	169.9	-23.4	33.6	0	0	0	112.1	R13 K18 F21 N45 N70	P9-R13 HydrophobicContact CB-CB 3.94Å; P9-R13 HydrophobicContact CB-CG 4.12Å; P9-K18 HydrophobicContact CB-CG 4.05Å; P9-K18 HydrophobicContact CG-CG 4.41Å; P9-F21 VanDerWaalsContact CD-CG 3.42Å; P9-F21 HydrophobicContact CG-CB 3.87Å; P9-F21 HydrophobicContact CG-CD2 4.43Å; P9-F21 HydrophobicContact CG-CG 4.07Å; P9-N45 WeakPolarHBondContact O-CB 3.37Å; P9-N70 PolarHBondContact O-ND2 2.65Å
10	T	89.5	Confident	90.9	Very high	53 Å²	53	78.7 Å²	78.7	33%	0.325	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63.9	161.1	175.4	59.3	0	0	0	0	111.5	D12 R13 K18	T10-D12 PolarHBondContact O-N 3.24Å; T10-R13 VanDerWaalsContact O-CB 3.29Å; T10-R13 WeakPolarHBondContact O-CB 3.13Å; T10-R13 PolarHBondContact O-N 3.2Å; T10-R13 VanDerWaalsContact O-N 3.08Å; T10-K18 WeakPolarHBondContact O-CE 3.46Å
11	N	85.9	Confident	91.2	Very high	62 Å²	62	77 Å²	77	33%	0.332	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.1	-178.9	-165.9	53.3	0	0	0	112.7	R13 K18 N70	N11-R13 VanDerWaalsContact C-N 3.32Å; N11-K18 PolarHBondContact O-NZ 2.98Å; N11-N70 PolarHBondContact N-ND2 3.16Å
12	D	88.7	Confident	91.5	Very high	152 Å²	152	71 Å²	71	81%	0.813	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.9	177.6	-54.2	-43	0	0	0	113.6	T10	T10-D12 PolarHBondContact O-N 3.24Å
13	R	90.9	Very high	91.8	Very high	141 Å²	141	72.5 Å²	72.5	53%	0.532	37%	0.366	S	S	.	.	S	Bend	trans	-66.9	152.3	174.4	-154	69.9	-172	175.5	2.8	110.4	P9 T10 N11 D17 K18	P9-R13 HydrophobicContact CB-CB 3.94Å; P9-R13 HydrophobicContact CB-CG 4.12Å; T10-R13 VanDerWaalsContact O-CB 3.29Å; T10-R13 WeakPolarHBondContact O-CB 3.13Å; T10-R13 PolarHBondContact O-N 3.2Å; T10-R13 VanDerWaalsContact O-N 3.08Å; N11-R13 VanDerWaalsContact C-N 3.32Å; R13-D17 HydrophobicContact CG-CB 3.84Å; R13-D17 VanDerWaalsContact CG-OD2 3.25Å; R13-D17 WeakPolarHBondContact CG-OD2 3.26Å; R13-D17 IonicContact CZ-OD2 3.46Å; R13-D17 IonicContact NE-OD2 2.7Å; R13-D17 PolarHBondContact NE-OD2 3.08Å; R13-D17 IonicContact NH2-OD2 3.31Å; R13-D17 PolarHBondContact NH2-OD2 2.93Å; R13-K18 WeakPolarHBondContact O-CE 3.27Å; R13-K18 PolarHBondContact O-NZ 3.29Å
14	N	93.1	Very high	92.1	Very high	78 Å²	78	77 Å²	77	42%	0.417	37%	0.374	S	S	.	.			trans	-57.1	156.7	176.7	66.7	21.8	0	0	0	111	D16 D17	N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.91Å; N14-D17 WeakPolarHBondContact OD1-CB 3.5Å; N14-D17 PolarHBondContact OD1-N 3.44Å; N14-D17 PolarHBondContact OD1-OD1 3.12Å; N14-D17 PolarHBondContact OD1-OD2 3.32Å
15	D	92.1	Very high	92.3	Very high	69 Å²	69	76.3 Å²	76.3	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-70.5	-28.2	-178.3	-75.6	-32.3	0	0	0	111.7	D17 K18 D19 R73	D15-D17 PolarHBondContact O-N 3.25Å; D15-K18 WeakPolarHBondContact O-CB 3.49Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 IonicContact OD1-NZ 2.8Å; D15-D19 WeakPolarHBondContact O-CB 3.29Å; D15-D19 PolarHBondContact O-N 3Å; D15-R73 IonicContact OD1-NH2 3.61Å
16	D	94.1	Very high	92.4	Very high	121 Å²	121	70.8 Å²	70.8	65%	0.647	35%	0.345	S	S	*	.	H	α-helix	trans	-59.2	-45	175.6	-63.4	-26.2	0	0	0	113	N14 K18 D19 Q20	N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.91Å; D16-K18 VanDerWaalsContact C-N 3.28Å; D16-K18 PolarHBondContact O-N 3.08Å; D16-D19 CarbonylContact O-C 3.52Å; D16-D19 PolarHBondContact O-N 3.5Å; D16-Q20 WeakPolarHBondContact O-CB 3.41Å; D16-Q20 PolarHBondContact O-N 2.79Å
17	D	93.5	Very high	92.6	Very high	49 Å²	49	72.2 Å²	72.2	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-37.4	178.6	-73	-13.3	0	0	0	110.5	R13 N14 D15 F21	R13-D17 HydrophobicContact CG-CB 3.84Å; R13-D17 VanDerWaalsContact CG-OD2 3.25Å; R13-D17 WeakPolarHBondContact CG-OD2 3.26Å; R13-D17 IonicContact CZ-OD2 3.46Å; R13-D17 IonicContact NE-OD2 2.7Å; R13-D17 PolarHBondContact NE-OD2 3.08Å; R13-D17 IonicContact NH2-OD2 3.31Å; R13-D17 PolarHBondContact NH2-OD2 2.93Å; N14-D17 WeakPolarHBondContact OD1-CB 3.5Å; N14-D17 PolarHBondContact OD1-N 3.44Å; N14-D17 PolarHBondContact OD1-OD1 3.12Å; N14-D17 PolarHBondContact OD1-OD2 3.32Å; D15-D17 PolarHBondContact O-N 3.25Å; D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.45Å; D17-F21 PolarHBondContact O-N 3.2Å
18	K	91.6	Very high	92.7	Very high	3 Å²	3	68.5 Å²	68.5	1%	0.013	35%	0.345	C	S	.	.	H	α-helix	trans	-70.8	-41.5	175.8	-64.6	166	-177.8	147.2	0	111.1	P9 T10 N11 R13 D15 D16 Q20 F21 Y22 N70	P9-K18 HydrophobicContact CB-CG 4.05Å; P9-K18 HydrophobicContact CG-CG 4.41Å; T10-K18 WeakPolarHBondContact O-CE 3.46Å; N11-K18 PolarHBondContact O-NZ 2.98Å; R13-K18 WeakPolarHBondContact O-CE 3.27Å; R13-K18 PolarHBondContact O-NZ 3.29Å; D15-K18 WeakPolarHBondContact O-CB 3.49Å; D15-K18 PolarHBondContact O-N 2.92Å; D15-K18 IonicContact OD1-NZ 2.8Å; D16-K18 VanDerWaalsContact C-N 3.28Å; D16-K18 PolarHBondContact O-N 3.08Å; K18-Q20 PolarHBondContact O-N 2.92Å; K18-F21 PolarHBondContact O-N 3.25Å; K18-F21 VanDerWaalsContact O-N 3.14Å; K18-Y22 HydrophobicContact CB-CD2 4.46Å; K18-Y22 WeakPolarHBondContact O-CD2 2.97Å; K18-Y22 PolarHBondContact O-N 2.72Å; K18-N70 WeakPolarHBondContact CD-OD1 3.45Å; K18-N70 WeakPolarHBondContact CE-OD1 3.45Å
19	D	90.7	Very high	92.7	Very high	77 Å²	77	68.8 Å²	68.8	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-69.9	-19.9	178.3	-71.3	-21.9	0	0	0	112.2	D15 D16 P23 R73	D15-D19 WeakPolarHBondContact O-CB 3.29Å; D15-D19 PolarHBondContact O-N 3Å; D16-D19 CarbonylContact O-C 3.52Å; D16-D19 PolarHBondContact O-N 3.5Å; D19-P23 WeakPolarHBondContact O-CD 3.28Å; D19-P23 WeakPolarHBondContact O-CG 3.22Å; D19-R73 IonicContact OD1-CZ 3.82Å; D19-R73 IonicContact OD1-NH1 3.94Å; D19-R73 PolarHBondContact OD1-NH1 2.97Å; D19-R73 IonicContact OD1-NH2 3.86Å; D19-R73 PolarHBondContact OD1-NH2 3.2Å; D19-R73 IonicContact OD2-NH2 3.52Å
20	Q	95.1	Very high	92.6	Very high	137 Å²	137	71 Å²	71	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-82.7	-41.6	165.8	-165.9	-176.5	42.7	0	0	111.9	D16 K18 R24	D16-Q20 WeakPolarHBondContact O-CB 3.41Å; D16-Q20 PolarHBondContact O-N 2.79Å; K18-Q20 PolarHBondContact O-N 2.92Å; Q20-R24 VanDerWaalsContact O-CB 3.31Å; Q20-R24 WeakPolarHBondContact O-CB 3.46Å; Q20-R24 PolarHBondContact O-N 3.33Å
21	F	95.4	Very high	92.6	Very high	42 Å²	42	76.7 Å²	76.7	18%	0.184	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-54.1	-174.8	175.9	-95.6	0	0	0	113.1	C6 Y7 A8 P9 D17 K18 R24 L25	C6-F21 HydrophobicContact CB-CZ 4.19Å; Y7-F21 WeakPolarHBondContact O-CE2 3.45Å; A8-F21 VanDerWaalsContact CA-CZ 3.48Å; A8-F21 HydrophobicContact CB-CD1 4.2Å; A8-F21 HydrophobicContact CB-CE1 3.52Å; A8-F21 HydrophobicContact CB-CE2 4.47Å; A8-F21 HydrophobicContact CB-CZ 3.68Å; P9-F21 VanDerWaalsContact CD-CG 3.42Å; P9-F21 HydrophobicContact CG-CB 3.87Å; P9-F21 HydrophobicContact CG-CD2 4.43Å; P9-F21 HydrophobicContact CG-CG 4.07Å; D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.45Å; D17-F21 PolarHBondContact O-N 3.2Å; K18-F21 PolarHBondContact O-N 3.25Å; K18-F21 VanDerWaalsContact O-N 3.14Å; F21-R24 PolarHBondContact O-N 3Å; F21-L25 HydrophobicContact CE1-CD2 3.91Å; F21-L25 HydrophobicContact CZ-CD2 4.13Å; F21-L25 WeakPolarHBondContact O-CB 3.39Å; F21-L25 PolarHBondContact O-N 3.38Å
22	Y	93.8	Very high	92.7	Very high	15 Å²	15	74.7 Å²	74.7	6%	0.059	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-43.1	-172.5	-79.6	-84.8	0	0	0	113.2	K18 R24 L25 Q26 N70 R73 L74 L77	K18-Y22 HydrophobicContact CB-CD2 4.46Å; K18-Y22 WeakPolarHBondContact O-CD2 2.97Å; K18-Y22 PolarHBondContact O-N 2.72Å; Y22-R24 VanDerWaalsContact C-N 3.33Å; Y22-R24 PolarHBondContact O-N 2.93Å; Y22-L25 PolarHBondContact O-N 3.33Å; Y22-Q26 WeakPolarHBondContact O-CB 3.19Å; Y22-Q26 PolarHBondContact O-N 2.84Å; Y22-N70 PolarHBondContact OH-O 2.87Å; Y22-N70 VanDerWaalsContact OH-O 3.07Å; Y22-R73 HydrophobicContact CD1-CB 4.1Å; Y22-R73 HydrophobicContact CD2-CB 3.96Å; Y22-R73 HydrophobicContact CD2-CG 4.4Å; Y22-R73 HydrophobicContact CE1-CB 3.77Å; Y22-R73 HydrophobicContact CE2-CB 3.62Å; Y22-R73 HydrophobicContact CE2-CG 4.22Å; Y22-R73 HydrophobicContact CG-CB 4.19Å; Y22-L74 HydrophobicContact CE1-CB 4.49Å; Y22-L77 HydrophobicContact CD1-CD2 4.44Å
23	P	95.2	Very high	92.1	Very high	77 Å²	77	70 Å²	70	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-36.6	173.3	-27.7	39.8	0	0	0	113.1	D19 Q26 S27	D19-P23 WeakPolarHBondContact O-CD 3.28Å; D19-P23 WeakPolarHBondContact O-CG 3.22Å; P23-Q26 WeakPolarHBondContact O-CB 3.46Å; P23-Q26 PolarHBondContact O-N 3.27Å; P23-S27 PolarHBondContact O-N 3.43Å
24	R	96.4	Very high	91.6	Very high	175 Å²	175	74.4 Å²	74.4	66%	0.66	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-45.3	173.9	-174.9	175.4	-179	178.1	0.4	110.9	Q20 F21 Y22 Q26 S27 I28	Q20-R24 VanDerWaalsContact O-CB 3.31Å; Q20-R24 WeakPolarHBondContact O-CB 3.46Å; Q20-R24 PolarHBondContact O-N 3.33Å; F21-R24 PolarHBondContact O-N 3Å; Y22-R24 VanDerWaalsContact C-N 3.33Å; Y22-R24 PolarHBondContact O-N 2.93Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; R24-Q26 PolarHBondContact O-N 3.3Å; R24-S27 WeakPolarHBondContact O-CB 2.96Å; R24-S27 PolarHBondContact O-N 2.84Å; R24-S27 VanDerWaalsContact O-N 3.16Å; R24-S27 PolarHBondContact O-OG 3Å; R24-I28 WeakPolarHBondContact O-CG1 3.1Å; R24-I28 PolarHBondContact O-N 3.19Å
25	L	94.4	Very high	91.1	Very high	5 Å²	5	79.4 Å²	79.4	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-44.5	175.5	-179.9	58.3	0	0	0	111.5	I4 F21 Y22 S27 I28 I29 L40 L77	I4-L25 HydrophobicContact CG2-CD1 4.06Å; F21-L25 HydrophobicContact CE1-CD2 3.91Å; F21-L25 HydrophobicContact CZ-CD2 4.13Å; F21-L25 WeakPolarHBondContact O-CB 3.39Å; F21-L25 PolarHBondContact O-N 3.38Å; Y22-L25 PolarHBondContact O-N 3.33Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 2.64Å; L25-I28 WeakPolarHBondContact O-CB 3.32Å; L25-I28 PolarHBondContact O-N 3.4Å; L25-I29 HydrophobicContact CD1-CD1 4.34Å; L25-I29 HydrophobicContact CD1-CG1 4.47Å; L25-I29 HydrophobicContact CG-CD1 4.04Å; L25-I29 WeakPolarHBondContact O-CG1 2.92Å; L25-I29 PolarHBondContact O-N 3.42Å; L25-L40 HydrophobicContact CD1-CD1 3.86Å; L25-L40 HydrophobicContact CD2-CD1 4.31Å; L25-L40 HydrophobicContact CD2-CD2 4.08Å; L25-L77 HydrophobicContact CD2-CD2 3.74Å; L25-L77 HydrophobicContact CG-CD2 4.2Å
26	Q	94.1	Very high	90.6	Very high	37 Å²	37	79.5 Å²	79.5	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-55.1	-42.6	173.8	179.2	58.4	46	0	0	111.6	Y22 P23 R24 I28 I29 A30 L77 N81	Y22-Q26 WeakPolarHBondContact O-CB 3.19Å; Y22-Q26 PolarHBondContact O-N 2.84Å; P23-Q26 WeakPolarHBondContact O-CB 3.46Å; P23-Q26 PolarHBondContact O-N 3.27Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; R24-Q26 PolarHBondContact O-N 3.3Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 3.17Å; Q26-I29 PolarHBondContact O-N 2.96Å; Q26-A30 VanDerWaalsContact O-CB 3.29Å; Q26-A30 WeakPolarHBondContact O-CB 2.84Å; Q26-A30 PolarHBondContact O-N 3.18Å; Q26-L77 HydrophobicContact CB-CD1 3.88Å; Q26-N81 PolarHBondContact NE2-OD1 3.32Å; Q26-N81 PolarHBondContact OE1-ND2 2.91Å
27	S	95	Very high	90.3	Very high	51 Å²	51	75.3 Å²	75.3	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-34	178.5	82.6	0	0	0	0	112.7	P23 R24 L25 K31	P23-S27 PolarHBondContact O-N 3.43Å; R24-S27 WeakPolarHBondContact O-CB 2.96Å; R24-S27 PolarHBondContact O-N 2.84Å; R24-S27 VanDerWaalsContact O-N 3.16Å; R24-S27 PolarHBondContact O-OG 3Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 2.64Å; S27-K31 VanDerWaalsContact O-CG 3.28Å; S27-K31 WeakPolarHBondContact O-CG 3.3Å; S27-K31 PolarHBondContact O-N 2.94Å; S27-K31 VanDerWaalsContact O-N 3.17Å
28	I	93.1	Very high	90	Very high	71 Å²	71	73.2 Å²	73.2	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-72.9	-43.4	177.7	-63.2	167.5	0	0	0	110.1	I4 R24 L25 Q26 A30 K31 S32	I4-I28 HydrophobicContact CD1-CG2 3.96Å; I4-I28 HydrophobicContact CG1-CG2 4.27Å; I4-I28 HydrophobicContact CG2-CG2 4.36Å; R24-I28 WeakPolarHBondContact O-CG1 3.1Å; R24-I28 PolarHBondContact O-N 3.19Å; L25-I28 WeakPolarHBondContact O-CB 3.32Å; L25-I28 PolarHBondContact O-N 3.4Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 3.17Å; I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.4Å; I28-K31 PolarHBondContact O-N 2.75Å; I28-S32 PolarHBondContact O-N 3.47Å; I28-S32 PolarHBondContact O-OG 2.98Å
29	I	91.1	Very high	90	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-44	174.4	-65.4	167.5	0	0	0	110	I4 L25 Q26 K31 S32 L40 L77	I4-I29 HydrophobicContact CD1-CG1 3.8Å; L25-I29 HydrophobicContact CD1-CD1 4.34Å; L25-I29 HydrophobicContact CD1-CG1 4.47Å; L25-I29 HydrophobicContact CG-CD1 4.04Å; L25-I29 WeakPolarHBondContact O-CG1 2.92Å; L25-I29 PolarHBondContact O-N 3.42Å; Q26-I29 PolarHBondContact O-N 2.96Å; I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 PolarHBondContact O-N 2.69Å; I29-S32 WeakPolarHBondContact O-CB 3.36Å; I29-S32 PolarHBondContact O-N 3.38Å; I29-L40 HydrophobicContact CD1-CD2 4.37Å; I29-L77 HydrophobicContact CD1-CD1 4.41Å; I29-L77 HydrophobicContact CD1-CD2 3.93Å; I29-L77 HydrophobicContact CD1-CG 4.29Å
30	A	90.2	Very high	90	Very high	70 Å²	70	70.6 Å²	70.6	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-64.4	-29.4	179.7	0	0	0	0	0	113.6	Q26 I28 S32	Q26-A30 VanDerWaalsContact O-CB 3.29Å; Q26-A30 WeakPolarHBondContact O-CB 2.84Å; Q26-A30 PolarHBondContact O-N 3.18Å; I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.4Å; A30-S32 VanDerWaalsContact C-N 3.27Å
31	K	91	Very high	89.8	Confident	173 Å²	173	67.3 Å²	67.3	75%	0.752	33%	0.329	S	S	*	.	H	α-helix	trans	-73.2	-19.7	173.3	-74.2	170.5	-177.2	-179.7	0	112.9	S27 I28 I29	S27-K31 VanDerWaalsContact O-CG 3.28Å; S27-K31 WeakPolarHBondContact O-CG 3.3Å; S27-K31 PolarHBondContact O-N 2.94Å; S27-K31 VanDerWaalsContact O-N 3.17Å; I28-K31 PolarHBondContact O-N 2.75Å; I29-K31 VanDerWaalsContact C-N 3.27Å; I29-K31 PolarHBondContact O-N 2.69Å
32	S	86.6	Confident	89.5	Confident	21 Å²	21	66.3 Å²	66.3	15%	0.147	33%	0.331	C	S	.	.	S	Bend	trans	-69.8	133.8	176.6	-63.9	0	0	0	0	110.1	N2 I28 I29 A30 R34	N2-S32 WeakPolarHBondContact ND2-CB 3.35Å; I28-S32 PolarHBondContact O-N 3.47Å; I28-S32 PolarHBondContact O-OG 2.98Å; I29-S32 WeakPolarHBondContact O-CB 3.36Å; I29-S32 PolarHBondContact O-N 3.38Å; A30-S32 VanDerWaalsContact C-N 3.27Å; S32-R34 PolarHBondContact O-N 3.17Å
33	S	77.5	Confident	89.2	Confident	52 Å²	52	67.6 Å²	67.6	36%	0.364	34%	0.339	S	S	.	.			trans	-58.2	124.2	178.7	172.9	0	0	0	0	110.8	K35 N36	S33-K35 PolarHBondContact O-N 2.85Å; S33-K35 VanDerWaalsContact O-N 3.08Å; S33-K35 PolarHBondContact OG-N 2.71Å; S33-N36 PolarHBondContact O-N 3.34Å
34	R	79	Confident	88.9	Confident	235 Å²	235	64 Å²	64	89%	0.887	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.8	174.5	-67.2	-171.8	179.4	179.1	-0	113.5	S32 N36	S32-R34 PolarHBondContact O-N 3.17Å; R34-N36 VanDerWaalsContact C-N 3.32Å
35	K	83.3	Confident	88.6	Confident	183 Å²	183	56.2 Å²	56.2	80%	0.796	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.2	175.9	-61.5	-174.9	178.9	-178.3	0	112.6	S33	S33-K35 PolarHBondContact O-N 2.85Å; S33-K35 VanDerWaalsContact O-N 3.08Å; S33-K35 PolarHBondContact OG-N 2.71Å
36	N	82.7	Confident	88.3	Confident	71 Å²	71	56 Å²	56	38%	0.38	29%	0.286	S	S	.	.	S	Bend	trans	-98.7	137.6	-176.2	-77.9	-42.7	0	0	0	110.9	S33 R34 T38	S33-N36 PolarHBondContact O-N 3.34Å; R34-N36 VanDerWaalsContact C-N 3.32Å; N36-T38 PolarHBondContact O-N 3.05Å; N36-T38 PolarHBondContact O-OG1 3.22Å
37	L	86.1	Confident	88.1	Confident	33 Å²	33	55.2 Å²	55.2	17%	0.173	28%	0.282	C	S	.	.			trans	-53.9	125	163.7	167.5	59.5	0	0	0	108.9	M1 N2 I39 Q118 Q119 K120	M1-L37 CarbonylContact C-O 3.6Å; M1-L37 VanDerWaalsContact CA-O 3.25Å; M1-L37 WeakPolarHBondContact CA-O 3.46Å; M1-L37 HydrophobicContact CG-CD2 4.47Å; M1-L37 HydrophobicContact CG-CG 4.37Å; M1-L37 HydrophobicContact SD-CD2 4.28Å; N2-L37 PolarHBondContact N-O 2.94Å; L37-I39 HydrophobicContact CD1-CG1 4.17Å; L37-I39 HydrophobicContact CD2-CD1 4.36Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; L37-Q118 HydrophobicContact CD1-CG 3.84Å; L37-Q119 WeakPolarHBondContact CD1-O 3.26Å; L37-K120 HydrophobicContact CB-CD 4.37Å; L37-K120 HydrophobicContact CB-CG 4.24Å; L37-K120 HydrophobicContact CD1-CB 3.9Å; L37-K120 HydrophobicContact CD1-CD 4.24Å; L37-K120 HydrophobicContact CD1-CG 3.93Å; L37-K120 HydrophobicContact CD2-CD 4.4Å
38	T	88.7	Confident	87.9	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131	174.9	-61.6	0	0	0	0	108.9	N2 I4 N36 Q119	N2-T38 HydrophobicContact CB-CG2 4.35Å; N2-T38 PolarHBondContact ND2-OG1 3.1Å; N2-T38 CarbonylContact O-C 3.04Å; N2-T38 WeakPolarHBondContact O-CA 3.25Å; I4-T38 HydrophobicContact CD1-CG2 3.82Å; I4-T38 HydrophobicContact CG1-CG2 4.42Å; N36-T38 PolarHBondContact O-N 3.05Å; N36-T38 PolarHBondContact O-OG1 3.22Å; T38-Q119 PolarHBondContact N-O 3.5Å; T38-Q119 WeakPolarHBondContact O-CA 3.17Å; T38-Q119 VanDerWaalsContact O-CB 3.3Å; T38-Q119 WeakPolarHBondContact O-CB 3.25Å; T38-Q119 PolarHBondContact O-N 2.7Å
39	I	90.3	Very high	87.8	Confident	25 Å²	25	49.5 Å²	49.5	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.4	177.4	-58.8	-179.4	0	0	0	106.7	M1 N2 V3 I4 L37 L116 H117 Q118	M1-I39 HydrophobicContact SD-CD1 4.27Å; N2-I39 PolarHBondContact O-N 3.02Å; V3-I39 CarbonylContact C-O 3.48Å; V3-I39 WeakPolarHBondContact CA-O 3.18Å; I4-I39 PolarHBondContact N-O 3.2Å; L37-I39 HydrophobicContact CD1-CG1 4.17Å; L37-I39 HydrophobicContact CD2-CD1 4.36Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; I39-L116 HydrophobicContact CG2-CD1 3.56Å; I39-L116 HydrophobicContact CG2-CG 4.4Å; I39-H117 CarbonylContact C-O 3.58Å; I39-H117 WeakPolarHBondContact CA-O 3.27Å; I39-Q118 HydrophobicContact CG1-CG 4.36Å
40	L	90.8	Very high	87.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.3	169.7	170.2	71.4	0	0	0	107.6	I4 C6 L25 I29 L44 L77 H117	I4-L40 HydrophobicContact CB-CD1 4.02Å; I4-L40 HydrophobicContact CG2-CD1 3.72Å; I4-L40 CarbonylContact O-C 3.55Å; I4-L40 WeakPolarHBondContact O-CA 3.34Å; C6-L40 VanDerWaalsContact SG-CD1 3.59Å; L25-L40 HydrophobicContact CD1-CD1 3.86Å; L25-L40 HydrophobicContact CD2-CD1 4.31Å; L25-L40 HydrophobicContact CD2-CD2 4.08Å; I29-L40 HydrophobicContact CD1-CD2 4.37Å; L40-L44 HydrophobicContact CD2-CD1 4.43Å; L40-L44 HydrophobicContact CD2-CD2 4.38Å; L40-L77 HydrophobicContact CD2-CD2 4.28Å; L40-H117 HydrophobicContact CB-CB 3.83Å; L40-H117 HydrophobicContact CD2-CB 4.31Å; L40-H117 HydrophobicContact CG-CB 4.32Å; L40-H117 PolarHBondContact N-O 2.73Å; L40-H117 WeakPolarHBondContact O-CA 2.98Å; L40-H117 WeakPolarHBondContact O-CB 3.16Å; L40-H117 PolarHBondContact O-N 3.43Å; L40-H117 VanDerWaalsContact O-O 3.13Å
41	M	90.8	Very high	88	Confident	68 Å²	68	54.3 Å²	54.3	34%	0.335	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	171.8	-177.2	65.1	-179.3	-70.5	0	0	111.1	V3 I4 Q5 C6 L116	V3-M41 HydrophobicContact CG1-CG 4.06Å; V3-M41 HydrophobicContact CG1-SD 3.59Å; V3-M41 VanDerWaalsContact CG1-SD 3.59Å; I4-M41 PolarHBondContact O-N 2.69Å; Q5-M41 CarbonylContact C-O 3.57Å; Q5-M41 VanDerWaalsContact CA-O 3.28Å; Q5-M41 WeakPolarHBondContact CA-O 3.38Å; Q5-M41 HydrophobicContact CB-CG 4.24Å; Q5-M41 HydrophobicContact CG-CG 4.42Å; C6-M41 PolarHBondContact N-O 2.9Å; M41-L116 HydrophobicContact CB-CD1 3.91Å
42	G	88.8	Confident	88.1	Confident	22 Å²	22	47.7 Å²	47.7	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-163.6	-178.8	0	0	0	0	0	111.1	C6 S114	C6-G42 CarbonylContact O-C 3.56Å; C6-G42 WeakPolarHBondContact O-CA 3.3Å; G42-S114 WeakPolarHBondContact O-CB 3.38Å
43	D	88.9	Confident	88.5	Confident	42 Å²	42	51.4 Å²	51.4	23%	0.225	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106.6	-178.1	-171.6	-6.8	0	0	0	109.3	C6 Y7 A8 N45	C6-D43 PolarHBondContact O-N 2.95Å; C6-D43 VanDerWaalsContact O-N 3.15Å; Y7-D43 CarbonylContact C-O 3.6Å; Y7-D43 WeakPolarHBondContact CA-O 3.1Å; Y7-D43 HydrophobicContact CD2-CB 3.55Å; Y7-D43 HydrophobicContact CE2-CB 3.6Å; Y7-D43 VanDerWaalsContact CE2-OD2 3.26Å; Y7-D43 WeakPolarHBondContact CE2-OD2 3.4Å; A8-D43 PolarHBondContact N-O 3.2Å; D43-N45 PolarHBondContact OD1-N 3.32Å
44	L	88.9	Confident	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.			trans	-92.2	-1.3	-178	-70.2	167.3	0	0	0	112.5	C6 A8 L40 A46 L74	C6-L44 WeakPolarHBondContact SG-CD2 3.48Å; A8-L44 HydrophobicContact CB-CD2 4.5Å; A8-L44 VanDerWaalsContact CB-O 3.32Å; A8-L44 WeakPolarHBondContact CB-O 3.28Å; L40-L44 HydrophobicContact CD2-CD1 4.43Å; L40-L44 HydrophobicContact CD2-CD2 4.38Å; L44-A46 HydrophobicContact CB-CB 4.16Å; L44-A46 WeakPolarHBondContact O-CB 3.45Å; L44-A46 PolarHBondContact O-N 3.27Å; L44-L74 HydrophobicContact CB-CD2 4.31Å; L44-L74 HydrophobicContact CD1-CD1 3.85Å; L44-L74 HydrophobicContact CD1-CD2 3.81Å
45	N	89.6	Confident	90.1	Very high	12 Å²	12	42 Å²	42	6%	0.064	24%	0.238	C	C	.	.			trans	46.5	37	-179	-78.6	-57	0	0	0	113	A8 P9 D43 N70	A8-N45 PolarHBondContact O-ND2 3.24Å; P9-N45 WeakPolarHBondContact O-CB 3.37Å; D43-N45 PolarHBondContact OD1-N 3.32Å; N45-N70 WeakPolarHBondContact O-CB 3.44Å; N45-N70 PolarHBondContact O-ND2 3.31Å
46	A	88.8	Confident	90.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.			trans	-129.1	131	-166.7	0	0	0	0	0	110.9	L44 N70 L74 I113	L44-A46 HydrophobicContact CB-CB 4.16Å; L44-A46 WeakPolarHBondContact O-CB 3.45Å; L44-A46 PolarHBondContact O-N 3.27Å; A46-N70 HydrophobicContact CB-CB 4.12Å; A46-L74 HydrophobicContact CB-CB 4.15Å; A46-L74 HydrophobicContact CB-CD2 3.79Å; A46-I113 VanDerWaalsContact O-O 3.1Å
47	K	89.7	Confident	91.1	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.096	24%	0.242	C	C	.	.			trans	-111.6	111.6	170.4	-60.3	178.9	-168.1	175.3	0	107.1	R67 N68 G71 E110 P111 D112	K47-R67 CarbonylContact O-C 3.57Å; K47-R67 WeakPolarHBondContact O-CA 3.47Å; K47-N68 HydrophobicContact CB-CB 4.47Å; K47-N68 PolarHBondContact N-OD1 3.46Å; K47-N68 PolarHBondContact O-N 2.85Å; K47-N68 PolarHBondContact O-OD1 3.23Å; K47-G71 VanDerWaalsContact O-CA 3.31Å; K47-G71 WeakPolarHBondContact O-CA 3.2Å; K47-E110 IonicContact NZ-OE2 3.71Å; K47-E110 PolarHBondContact NZ-OE2 3.02Å; K47-P111 WeakPolarHBondContact CE-O 3.4Å; K47-D112 WeakPolarHBondContact CE-OD1 3.16Å; K47-D112 IonicContact NZ-OD1 2.71Å
48	V	90.7	Very high	91.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.			trans	-85.5	-15.3	-179.1	-52.7	0	0	0	0	112.9	I59 R67 L74 I85 T88 Y115	V48-I59 HydrophobicContact CB-CD1 4.11Å; V48-I59 HydrophobicContact CG2-CD1 4.41Å; V48-I59 HydrophobicContact CG2-CG2 3.91Å; V48-R67 WeakPolarHBondContact O-CB 3.4Å; V48-R67 WeakPolarHBondContact O-CG 3.47Å; V48-R67 PolarHBondContact O-NE 2.89Å; V48-L74 HydrophobicContact CG1-CD2 4.07Å; V48-I85 HydrophobicContact CB-CD1 4.44Å; V48-I85 HydrophobicContact CG1-CD1 3.73Å; V48-I85 HydrophobicContact CG2-CD1 4.46Å; V48-T88 HydrophobicContact CG2-CG2 3.64Å; V48-Y115 HydrophobicContact CB-CE2 4.41Å; V48-Y115 HydrophobicContact CG1-CD2 4.37Å; V48-Y115 HydrophobicContact CG1-CE2 3.92Å; V48-Y115 HydrophobicContact CG2-CE1 4.38Å; V48-Y115 HydrophobicContact CG2-CE2 3.92Å; V48-Y115 WeakPolarHBondContact CG2-OH 3.5Å
49	G	90.7	Very high	91.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	24%	0.237	C	C	.	.			trans	78	177.2	177.2	0	0	0	0	0	114.5	G63 L64 G65	G49-G63 WeakPolarHBondContact O-CA 3.34Å; G49-L64 WeakPolarHBondContact CA-O 3.45Å; G49-G65 CarbonylContact C-O 3.56Å; G49-G65 WeakPolarHBondContact CA-O 3.49Å
50	V	91.3	Very high	91.4	Very high	76 Å²	76	40.3 Å²	40.3	46%	0.461	24%	0.237	S	C	.	.	S	Bend	trans	-80	-33.6	174.4	-178.9	0	0	0	0	111.8	N52 G63 G65	V50-N52 PolarHBondContact O-N 3.38Å; V50-G63 WeakPolarHBondContact CG2-O 3.35Å; V50-G65 PolarHBondContact N-O 2.63Å
51	N	93.3	Very high	91.5	Very high	100 Å²	100	49.8 Å²	49.8	54%	0.535	27%	0.273	S	S	.	.			trans	-70.1	111.7	-179	-177.4	4	0	0	0	110.1	T53 R67	N51-T53 VanDerWaalsContact OD1-CB 3.27Å; N51-T53 WeakPolarHBondContact OD1-CB 3.39Å; N51-T53 PolarHBondContact OD1-N 2.81Å; N51-T53 PolarHBondContact OD1-OG1 3.17Å; N51-R67 PolarHBondContact O-NH2 3.37Å
52	N	94.4	Very high	91.4	Very high	35 Å²	35	49.1 Å²	49.1	19%	0.187	27%	0.269	C	S	.	.			trans	-106	13.9	178.2	69.6	-22.4	0	0	0	113.4	V50 G54 Y55 E56 I59	V50-N52 PolarHBondContact O-N 3.38Å; N52-G54 PolarHBondContact O-N 2.87Å; N52-Y55 CarbonylContact O-C 3.57Å; N52-Y55 VanDerWaalsContact O-C 3.3Å; N52-Y55 WeakPolarHBondContact O-CA 3.31Å; N52-Y55 PolarHBondContact O-N 3.2Å; N52-E56 PolarHBondContact O-N 3.35Å; N52-I59 HydrophobicContact CB-CB 3.88Å; N52-I59 HydrophobicContact CB-CG2 4Å; N52-I59 VanDerWaalsContact CB-O 3.26Å; N52-I59 WeakPolarHBondContact CB-O 3.45Å; N52-I59 PolarHBondContact ND2-O 2.86Å
53	T	95.1	Very high	91.3	Very high	98 Å²	98	48.2 Å²	48.2	60%	0.601	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	126.1	178.8	-52.7	0	0	0	0	110.3	N51 Y55 E56	N51-T53 VanDerWaalsContact OD1-CB 3.27Å; N51-T53 WeakPolarHBondContact OD1-CB 3.39Å; N51-T53 PolarHBondContact OD1-N 2.81Å; N51-T53 PolarHBondContact OD1-OG1 3.17Å; T53-Y55 PolarHBondContact O-N 2.76Å; T53-E56 VanDerWaalsContact CA-OE1 3.3Å; T53-E56 WeakPolarHBondContact CA-OE1 3.41Å
54	G	94.9	Very high	91.1	Very high	62 Å²	62	47 Å²	47	64%	0.639	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	0	-176.4	0	0	0	0	0	115.2	N52 E56	N52-G54 PolarHBondContact O-N 2.87Å; G54-E56 VanDerWaalsContact C-OE2 3.28Å; G54-E56 VanDerWaalsContact CA-OE2 3.28Å; G54-E56 WeakPolarHBondContact CA-OE2 3.48Å; G54-E56 VanDerWaalsContact N-CD 3.26Å; G54-E56 PolarHBondContact N-OE1 3.17Å; G54-E56 PolarHBondContact N-OE2 3.1Å
55	Y	94.2	Very high	91.1	Very high	28 Å²	28	49.1 Å²	49.1	11%	0.11	28%	0.275	C	S	.	.			trans	-135.1	25	-179.5	-68.1	-84	0	0	0	111.6	N52 T53 D57 I58 I59 E72 A75 N76 A79	N52-Y55 CarbonylContact O-C 3.57Å; N52-Y55 VanDerWaalsContact O-C 3.3Å; N52-Y55 WeakPolarHBondContact O-CA 3.31Å; N52-Y55 PolarHBondContact O-N 3.2Å; T53-Y55 PolarHBondContact O-N 2.76Å; Y55-D57 PolarHBondContact O-N 3.07Å; Y55-I58 CarbonylContact O-C 3.45Å; Y55-I58 WeakPolarHBondContact O-CA 3.4Å; Y55-I58 WeakPolarHBondContact O-CB 3.37Å; Y55-I58 PolarHBondContact O-N 3.22Å; Y55-I59 HydrophobicContact CG-CD1 4.03Å; Y55-I59 PolarHBondContact O-N 2.78Å; Y55-E72 PolarHBondContact OH-OE1 3.48Å; Y55-A75 HydrophobicContact CD1-CB 3.85Å; Y55-A75 HydrophobicContact CE1-CB 3.61Å; Y55-A75 HydrophobicContact CE2-CB 4.44Å; Y55-A75 HydrophobicContact CG-CB 4.36Å; Y55-N76 VanDerWaalsContact OH-CG 3.28Å; Y55-N76 PolarHBondContact OH-ND2 3.06Å; Y55-N76 PolarHBondContact OH-OD1 3.49Å; Y55-A79 HydrophobicContact CD1-CB 4.15Å; Y55-A79 HydrophobicContact CE1-CB 4.04Å
56	E	94.7	Very high	91.2	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-31	-169.6	-64.9	83.2	172.9	0	0	113	N52 T53 G54 I58	N52-E56 PolarHBondContact O-N 3.35Å; T53-E56 VanDerWaalsContact CA-OE1 3.3Å; T53-E56 WeakPolarHBondContact CA-OE1 3.41Å; G54-E56 VanDerWaalsContact C-OE2 3.28Å; G54-E56 VanDerWaalsContact CA-OE2 3.28Å; G54-E56 WeakPolarHBondContact CA-OE2 3.48Å; G54-E56 VanDerWaalsContact N-CD 3.26Å; G54-E56 PolarHBondContact N-OE1 3.17Å; G54-E56 PolarHBondContact N-OE2 3.1Å; E56-I58 PolarHBondContact O-N 2.69Å
57	D	91.9	Very high	91.3	Very high	146 Å²	146	60 Å²	60	78%	0.781	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.1	176.7	-66.9	-25.4	0	0	0	113.3	Y55	Y55-D57 PolarHBondContact O-N 3.07Å
58	I	91.1	Very high	91.4	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.072	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-39.7	-166.2	-57.3	-60.8	0	0	0	111.1	Y55 E56 C78 A79 S83 I85	Y55-I58 CarbonylContact O-C 3.45Å; Y55-I58 WeakPolarHBondContact O-CA 3.4Å; Y55-I58 WeakPolarHBondContact O-CB 3.37Å; Y55-I58 PolarHBondContact O-N 3.22Å; E56-I58 PolarHBondContact O-N 2.69Å; I58-C78 HydrophobicContact CG2-CB 3.32Å; I58-A79 HydrophobicContact CG1-CB 4.2Å; I58-S83 WeakPolarHBondContact CD1-O 3.1Å; I58-S83 WeakPolarHBondContact CG2-O 3.22Å; I58-I85 HydrophobicContact CG2-CG1 4.29Å; I58-I85 PolarHBondContact O-N 2.83Å
59	I	91.6	Very high	91.4	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-117.2	118	-176.9	-52.5	176.6	0	0	0	108.2	V48 N52 Y55 A75 I85 T88	V48-I59 HydrophobicContact CB-CD1 4.11Å; V48-I59 HydrophobicContact CG2-CD1 4.41Å; V48-I59 HydrophobicContact CG2-CG2 3.91Å; N52-I59 HydrophobicContact CB-CB 3.88Å; N52-I59 HydrophobicContact CB-CG2 4Å; N52-I59 VanDerWaalsContact CB-O 3.26Å; N52-I59 WeakPolarHBondContact CB-O 3.45Å; N52-I59 PolarHBondContact ND2-O 2.86Å; Y55-I59 HydrophobicContact CG-CD1 4.03Å; Y55-I59 PolarHBondContact O-N 2.78Å; I59-A75 HydrophobicContact CD1-CB 3.91Å; I59-I85 HydrophobicContact CG1-CD1 4.06Å; I59-T88 HydrophobicContact CG2-CG2 4.04Å
60	G	90.1	Very high	91.5	Very high	14 Å²	14	66.7 Å²	66.7	14%	0.144	35%	0.353	C	S	.	.			trans	-75.7	171.6	175	0	0	0	0	0	113.4	H62 T88	G60-H62 PolarHBondContact O-N 2.98Å; G60-T88 CarbonylContact C-O 3.55Å; G60-T88 WeakPolarHBondContact CA-O 3.37Å; G60-T88 PolarHBondContact N-OG1 3.16Å
61	R	91.5	Very high	91.5	Very high	199 Å²	199	63.1 Å²	63.1	75%	0.751	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.6	-173.7	-61	-175.8	-67.8	177.3	-2.9	114.6	T88	R61-T88 PolarHBondContact N-O 3.13Å
62	H	89.4	Confident	91.5	Very high	53 Å²	53	61.5 Å²	61.5	25%	0.245	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	22.4	-173.9	-55.5	-64.3	0	0	0	113.3	G60 T88 V89 F90 P91 K97	G60-H62 PolarHBondContact O-N 2.98Å; H62-T88 WeakPolarHBondContact CA-O 3.13Å; H62-T88 WeakPolarHBondContact CB-O 3.36Å; H62-T88 PolarHBondContact N-O 3.24Å; H62-V89 PolarHBondContact CD2-O 3.01Å; H62-V89 VanDerWaalsContact CD2-O 3.28Å; H62-F90 WeakPolarHBondContact CB-O 3.41Å; H62-P91 VanDerWaalsContact CD2-N 3.32Å; H62-K97 WeakPolarHBondContact O-CD 3.29Å; H62-K97 WeakPolarHBondContact O-CE 3.45Å; H62-K97 PolarHBondContact O-NZ 2.74Å
63	G	86.5	Confident	91.5	Very high	4 Å²	4	63 Å²	63	4%	0.041	32%	0.323	C	S	.	.			trans	-56.2	-178.4	165.2	0	0	0	0	0	113.7	G49 V50 K97	G49-G63 WeakPolarHBondContact O-CA 3.34Å; V50-G63 WeakPolarHBondContact CG2-O 3.35Å; G63-K97 PolarHBondContact O-NZ 3.28Å
64	L	85.8	Confident	91.4	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	30%	0.295	C	S	.	.			trans	-142.8	137.2	-175.6	-178.4	64.1	0	0	0	110.6	G49 H94 K97 A98 P111 I113	G49-L64 WeakPolarHBondContact CA-O 3.45Å; L64-H94 VanDerWaalsContact CD1-NE2 3.29Å; L64-H94 WeakPolarHBondContact CD1-NE2 3.41Å; L64-K97 HydrophobicContact CD2-CB 3.95Å; L64-A98 HydrophobicContact CD2-CB 4.34Å; L64-P111 HydrophobicContact CD2-CB 3.76Å; L64-P111 HydrophobicContact CD2-CG 3.3Å; L64-P111 HydrophobicContact CG-CG 3.83Å; L64-I113 HydrophobicContact CB-CD1 3.86Å
65	G	88.1	Confident	91.3	Very high	43 Å²	43	55.4 Å²	55.4	44%	0.443	26%	0.264	S	S	.	.	S	Bend	trans	69.1	-160.3	177.8	0	0	0	0	0	114.1	G49 V50	G49-G65 CarbonylContact C-O 3.56Å; G49-G65 WeakPolarHBondContact CA-O 3.49Å; V50-G65 PolarHBondContact N-O 2.63Å
66	E	91	Very high	91.3	Very high	174 Å²	174	57.8 Å²	57.8	81%	0.813	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-98.4	153.4	174.6	-65.1	-170.4	160.3	0	0	111.2	N68	E66-N68 PolarHBondContact O-N 3.49Å
67	R	91.4	Very high	91.3	Very high	68 Å²	68	53.4 Å²	53.4	26%	0.257	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-73.7	125	-178.6	-168.3	-179.5	-48.8	166.1	9.1	110.5	K47 V48 N51 E72	K47-R67 CarbonylContact O-C 3.57Å; K47-R67 WeakPolarHBondContact O-CA 3.47Å; V48-R67 WeakPolarHBondContact O-CB 3.4Å; V48-R67 WeakPolarHBondContact O-CG 3.47Å; V48-R67 PolarHBondContact O-NE 2.89Å; N51-R67 PolarHBondContact O-NH2 3.37Å; R67-E72 WeakPolarHBondContact CD-OE2 3Å; R67-E72 IonicContact CZ-OE2 2.63Å; R67-E72 IonicContact NE-OE2 2.89Å; R67-E72 IonicContact NH1-OE1 3.72Å; R67-E72 IonicContact NH1-OE2 3.14Å; R67-E72 PolarHBondContact NH1-OE2 3.3Å
68	N	91.3	Very high	91.3	Very high	29 Å²	29	46.4 Å²	46.4	16%	0.155	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-93.9	173	172.3	72	2.7	0	0	0	111.6	K47 E66 N70 G71 E72	K47-N68 HydrophobicContact CB-CB 4.47Å; K47-N68 PolarHBondContact N-OD1 3.46Å; K47-N68 PolarHBondContact O-N 2.85Å; K47-N68 PolarHBondContact O-OD1 3.23Å; E66-N68 PolarHBondContact O-N 3.49Å; N68-N70 VanDerWaalsContact C-N 3.32Å; N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 PolarHBondContact OD1-N 3.05Å; N68-G71 CarbonylContact O-C 3.3Å; N68-G71 WeakPolarHBondContact O-CA 3.37Å; N68-G71 PolarHBondContact O-N 3.27Å; N68-G71 WeakPolarHBondContact OD1-CA 3.29Å; N68-G71 PolarHBondContact OD1-N 3.05Å; N68-E72 PolarHBondContact O-N 2.86Å
69	K	92.2	Very high	91.4	Very high	134 Å²	134	47.6 Å²	47.6	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-57	-42.6	-178.9	-70.2	-176.3	175	-175.6	0	112.5	G71 E72 R73	K69-G71 VanDerWaalsContact C-N 3.31Å; K69-G71 PolarHBondContact O-N 3.3Å; K69-E72 WeakPolarHBondContact O-CB 3.46Å; K69-E72 PolarHBondContact O-N 2.97Å; K69-R73 WeakPolarHBondContact O-CG 3.33Å; K69-R73 PolarHBondContact O-N 3.4Å
70	N	90.9	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-35.2	174.6	-81	-2.8	0	0	0	112.6	P9 N11 K18 Y22 N45 A46 N68 R73 L74	P9-N70 PolarHBondContact O-ND2 2.65Å; N11-N70 PolarHBondContact N-ND2 3.16Å; K18-N70 WeakPolarHBondContact CD-OD1 3.45Å; K18-N70 WeakPolarHBondContact CE-OD1 3.45Å; Y22-N70 PolarHBondContact OH-O 2.87Å; Y22-N70 VanDerWaalsContact OH-O 3.07Å; N45-N70 WeakPolarHBondContact O-CB 3.44Å; N45-N70 PolarHBondContact O-ND2 3.31Å; A46-N70 HydrophobicContact CB-CB 4.12Å; N68-N70 VanDerWaalsContact C-N 3.32Å; N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 PolarHBondContact OD1-N 3.05Å; N70-R73 PolarHBondContact O-N 2.87Å; N70-L74 WeakPolarHBondContact O-CB 3.15Å; N70-L74 PolarHBondContact O-N 2.99Å
71	G	91.8	Very high	91.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-43.2	172.1	0	0	0	0	0	113	K47 N68 K69 L74 A75	K47-G71 VanDerWaalsContact O-CA 3.31Å; K47-G71 WeakPolarHBondContact O-CA 3.2Å; N68-G71 CarbonylContact O-C 3.3Å; N68-G71 WeakPolarHBondContact O-CA 3.37Å; N68-G71 PolarHBondContact O-N 3.27Å; N68-G71 WeakPolarHBondContact OD1-CA 3.29Å; N68-G71 PolarHBondContact OD1-N 3.05Å; K69-G71 VanDerWaalsContact C-N 3.31Å; K69-G71 PolarHBondContact O-N 3.3Å; G71-L74 PolarHBondContact O-N 2.93Å; G71-A75 WeakPolarHBondContact O-CB 3.5Å; G71-A75 PolarHBondContact O-N 3.36Å
72	E	93.7	Very high	91.4	Very high	67 Å²	67	54.3 Å²	54.3	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-45.3	174.2	-172.4	60.6	-148.9	0	0	111.3	Y55 R67 N68 K69 L74 A75 N76	Y55-E72 PolarHBondContact OH-OE1 3.48Å; R67-E72 WeakPolarHBondContact CD-OE2 3Å; R67-E72 IonicContact CZ-OE2 2.63Å; R67-E72 IonicContact NE-OE2 2.89Å; R67-E72 IonicContact NH1-OE1 3.72Å; R67-E72 IonicContact NH1-OE2 3.14Å; R67-E72 PolarHBondContact NH1-OE2 3.3Å; N68-E72 PolarHBondContact O-N 2.86Å; K69-E72 WeakPolarHBondContact O-CB 3.46Å; K69-E72 PolarHBondContact O-N 2.97Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.28Å; E72-A75 PolarHBondContact O-N 3.44Å; E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 PolarHBondContact O-ND2 2.86Å; E72-N76 PolarHBondContact OE1-ND2 3.05Å
73	R	93.9	Very high	91.4	Very high	66 Å²	66	51.8 Å²	51.8	25%	0.249	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-41.4	176.5	-67.7	174.8	-179.6	-80.3	11.5	112	D15 D19 Y22 K69 N70 L77	D15-R73 IonicContact OD1-NH2 3.61Å; D19-R73 IonicContact OD1-CZ 3.82Å; D19-R73 IonicContact OD1-NH1 3.94Å; D19-R73 PolarHBondContact OD1-NH1 2.97Å; D19-R73 IonicContact OD1-NH2 3.86Å; D19-R73 PolarHBondContact OD1-NH2 3.2Å; D19-R73 IonicContact OD2-NH2 3.52Å; Y22-R73 HydrophobicContact CD1-CB 4.1Å; Y22-R73 HydrophobicContact CD2-CB 3.96Å; Y22-R73 HydrophobicContact CD2-CG 4.4Å; Y22-R73 HydrophobicContact CE1-CB 3.77Å; Y22-R73 HydrophobicContact CE2-CB 3.62Å; Y22-R73 HydrophobicContact CE2-CG 4.22Å; Y22-R73 HydrophobicContact CG-CB 4.19Å; K69-R73 WeakPolarHBondContact O-CG 3.33Å; K69-R73 PolarHBondContact O-N 3.4Å; N70-R73 PolarHBondContact O-N 2.87Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 2.77Å
74	L	93.1	Very high	91.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-46.9	174.5	-179.8	61	0	0	0	111.3	Y22 L44 A46 V48 N70 G71 E72 N76 L77 C78 I85 Y115	Y22-L74 HydrophobicContact CE1-CB 4.49Å; L44-L74 HydrophobicContact CB-CD2 4.31Å; L44-L74 HydrophobicContact CD1-CD1 3.85Å; L44-L74 HydrophobicContact CD1-CD2 3.81Å; A46-L74 HydrophobicContact CB-CB 4.15Å; A46-L74 HydrophobicContact CB-CD2 3.79Å; V48-L74 HydrophobicContact CG1-CD2 4.07Å; N70-L74 WeakPolarHBondContact O-CB 3.15Å; N70-L74 PolarHBondContact O-N 2.99Å; G71-L74 PolarHBondContact O-N 2.93Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.28Å; L74-N76 VanDerWaalsContact C-N 3.32Å; L74-N76 PolarHBondContact O-N 2.79Å; L74-L77 HydrophobicContact CD1-CD2 4.39Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.3Å; L74-C78 PolarHBondContact O-N 3.27Å; L74-C78 PolarHBondContact O-SG 2.85Å; L74-I85 HydrophobicContact CD2-CD1 4.33Å; L74-I85 HydrophobicContact CG-CD1 4.23Å; L74-Y115 HydrophobicContact CD2-CD2 4.08Å
75	A	93.4	Very high	91.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-45.7	178.3	0	0	0	0	0	111.5	Y55 I59 G71 E72 C78 A79	Y55-A75 HydrophobicContact CD1-CB 3.85Å; Y55-A75 HydrophobicContact CE1-CB 3.61Å; Y55-A75 HydrophobicContact CE2-CB 4.44Å; Y55-A75 HydrophobicContact CG-CB 4.36Å; I59-A75 HydrophobicContact CD1-CB 3.91Å; G71-A75 WeakPolarHBondContact O-CB 3.5Å; G71-A75 PolarHBondContact O-N 3.36Å; E72-A75 PolarHBondContact O-N 3.44Å; A75-C78 PolarHBondContact O-N 3.44Å; A75-A79 WeakPolarHBondContact O-CB 3.49Å; A75-A79 PolarHBondContact O-N 3.39Å
76	N	94.7	Very high	91.8	Very high	78 Å²	78	52 Å²	52	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-44.9	175.1	-78.8	-60.3	0	0	0	112.6	Y55 E72 L74 C78 A79 F80	Y55-N76 VanDerWaalsContact OH-CG 3.28Å; Y55-N76 PolarHBondContact OH-ND2 3.06Å; Y55-N76 PolarHBondContact OH-OD1 3.49Å; E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.84Å; E72-N76 PolarHBondContact O-ND2 2.86Å; E72-N76 PolarHBondContact OE1-ND2 3.05Å; L74-N76 VanDerWaalsContact C-N 3.32Å; L74-N76 PolarHBondContact O-N 2.79Å; N76-C78 VanDerWaalsContact C-N 3.3Å; N76-C78 PolarHBondContact O-N 2.85Å; N76-A79 PolarHBondContact O-N 2.8Å; N76-F80 WeakPolarHBondContact O-CB 3.29Å; N76-F80 PolarHBondContact O-N 3.18Å
77	L	93.1	Very high	91.5	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-45.1	174.3	-174.2	80	0	0	0	110.9	Y22 L25 Q26 I29 L40 R73 L74 N81	Y22-L77 HydrophobicContact CD1-CD2 4.44Å; L25-L77 HydrophobicContact CD2-CD2 3.74Å; L25-L77 HydrophobicContact CG-CD2 4.2Å; Q26-L77 HydrophobicContact CB-CD1 3.88Å; I29-L77 HydrophobicContact CD1-CD1 4.41Å; I29-L77 HydrophobicContact CD1-CD2 3.93Å; I29-L77 HydrophobicContact CD1-CG 4.29Å; L40-L77 HydrophobicContact CD2-CD2 4.28Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 2.77Å; L74-L77 HydrophobicContact CD1-CD2 4.39Å; L74-L77 WeakPolarHBondContact O-CB 3.38Å; L74-L77 PolarHBondContact O-N 3.3Å; L77-N81 WeakPolarHBondContact O-CB 3.31Å; L77-N81 PolarHBondContact O-N 3Å; L77-N81 PolarHBondContact O-ND2 3.49Å
78	C	92.8	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.3	-42.9	-178.8	-59.4	0	0	0	0	112	I58 L74 A75 N76 N81 K82 S83 I85 H117	I58-C78 HydrophobicContact CG2-CB 3.32Å; L74-C78 PolarHBondContact O-N 3.27Å; L74-C78 PolarHBondContact O-SG 2.85Å; A75-C78 PolarHBondContact O-N 3.44Å; N76-C78 VanDerWaalsContact C-N 3.3Å; N76-C78 PolarHBondContact O-N 2.85Å; C78-N81 CarbonylContact O-C 3.55Å; C78-N81 PolarHBondContact O-N 3.14Å; C78-K82 PolarHBondContact O-N 3.33Å; C78-S83 PolarHBondContact O-N 3.07Å; C78-I85 HydrophobicContact CB-CD1 4.46Å; C78-I85 HydrophobicContact CB-CG1 4.26Å; C78-H117 PolarHBondContact SG-CE1 3.25Å; C78-H117 PolarHBondContact SG-ND1 3.38Å
79	A	92.7	Very high	91.3	Very high	38 Å²	38	43.1 Å²	43.1	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-48.1	176.4	0	0	0	0	0	111.5	Y55 I58 A75 N76 N81 K82	Y55-A79 HydrophobicContact CD1-CB 4.15Å; Y55-A79 HydrophobicContact CE1-CB 4.04Å; I58-A79 HydrophobicContact CG1-CB 4.2Å; A75-A79 WeakPolarHBondContact O-CB 3.49Å; A75-A79 PolarHBondContact O-N 3.39Å; N76-A79 PolarHBondContact O-N 2.8Å; A79-N81 PolarHBondContact O-N 2.95Å; A79-K82 PolarHBondContact O-N 2.78Å; A79-K82 VanDerWaalsContact O-N 3.12Å
80	F	92.4	Very high	90.9	Very high	154 Å²	154	42.9 Å²	42.9	68%	0.675	22%	0.221	S	C	*	.	H	α-helix	trans	-57.8	-38.1	177.3	-175.8	-93.8	0	0	0	112.3	N76	N76-F80 WeakPolarHBondContact O-CB 3.29Å; N76-F80 PolarHBondContact O-N 3.18Å
81	N	90	Very high	90.6	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.128	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.7	-177.8	-71	-63.8	0	0	0	114.2	Q26 L77 C78 A79 S83 Q119	Q26-N81 PolarHBondContact NE2-OD1 3.32Å; Q26-N81 PolarHBondContact OE1-ND2 2.91Å; L77-N81 WeakPolarHBondContact O-CB 3.31Å; L77-N81 PolarHBondContact O-N 3Å; L77-N81 PolarHBondContact O-ND2 3.49Å; C78-N81 CarbonylContact O-C 3.55Å; C78-N81 PolarHBondContact O-N 3.14Å; A79-N81 PolarHBondContact O-N 2.95Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 VanDerWaalsContact C-OG 3.3Å; N81-S83 WeakPolarHBondContact CB-OG 3.33Å; N81-S83 PolarHBondContact O-N 3.46Å; N81-S83 PolarHBondContact O-OG 3.48Å; N81-Q119 PolarHBondContact O-NE2 2.93Å; N81-Q119 VanDerWaalsContact O-NE2 3.08Å
82	K	90.3	Very high	90	Very high	177 Å²	177	51.9 Å²	51.9	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	52.1	-175.4	-60.6	-174.1	178	-173.5	0	113	C78 A79	C78-K82 PolarHBondContact O-N 3.33Å; A79-K82 PolarHBondContact O-N 2.78Å; A79-K82 VanDerWaalsContact O-N 3.12Å
83	S	89.9	Confident	89.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.007	29%	0.286	C	S	.	.			trans	-123.2	150.9	-169.6	-47.6	0	0	0	0	111.4	I58 C78 N81 H117 Q119	I58-S83 WeakPolarHBondContact CD1-O 3.1Å; I58-S83 WeakPolarHBondContact CG2-O 3.22Å; C78-S83 PolarHBondContact O-N 3.07Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 VanDerWaalsContact C-OG 3.3Å; N81-S83 WeakPolarHBondContact CB-OG 3.33Å; N81-S83 PolarHBondContact O-N 3.46Å; N81-S83 PolarHBondContact O-OG 3.48Å; S83-H117 WeakPolarHBondContact CB-CE1 3.27Å; S83-H117 WeakPolarHBondContact CB-NE2 3.1Å; S83-H117 PolarHBondContact OG-NE2 3.31Å; S83-Q119 VanDerWaalsContact CB-CG 3.49Å; S83-Q119 VanDerWaalsContact OG-CD 3.29Å; S83-Q119 WeakPolarHBondContact OG-CG 3.32Å; S83-Q119 PolarHBondContact OG-NE2 2.97Å
84	V	91.5	Very high	88.2	Confident	51 Å²	51	58.6 Å²	58.6	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.8	-173.5	-174.5	0	0	0	0	111.4	G86 V89 Q118	V84-G86 PolarHBondContact O-N 2.97Å; V84-V89 HydrophobicContact CG1-CG2 3.34Å; V84-Q118 PolarHBondContact N-O 2.75Å; V84-Q118 PolarHBondContact O-N 3.37Å
85	I	90.5	Very high	87.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	89.7	175.4	-54.8	-170.1	0	0	0	109	V48 I58 I59 L74 C78 G87 T88 Y115	V48-I85 HydrophobicContact CB-CD1 4.44Å; V48-I85 HydrophobicContact CG1-CD1 3.73Å; V48-I85 HydrophobicContact CG2-CD1 4.46Å; I58-I85 HydrophobicContact CG2-CG1 4.29Å; I58-I85 PolarHBondContact O-N 2.83Å; I59-I85 HydrophobicContact CG1-CD1 4.06Å; L74-I85 HydrophobicContact CD2-CD1 4.33Å; L74-I85 HydrophobicContact CG-CD1 4.23Å; C78-I85 HydrophobicContact CB-CD1 4.46Å; C78-I85 HydrophobicContact CB-CG1 4.26Å; I85-G87 VanDerWaalsContact C-N 3.27Å; I85-G87 PolarHBondContact O-N 3.01Å; I85-G87 VanDerWaalsContact O-N 3.13Å; I85-T88 HydrophobicContact CG2-CG2 3.99Å; I85-T88 PolarHBondContact O-N 2.91Å; I85-T88 PolarHBondContact O-OG1 3.26Å; I85-Y115 HydrophobicContact CG2-CD1 3.09Å; I85-Y115 HydrophobicContact CG2-CD2 4.27Å; I85-Y115 HydrophobicContact CG2-CE1 3.46Å; I85-Y115 VanDerWaalsContact CG2-CE1 3.46Å; I85-Y115 HydrophobicContact CG2-CG 3.54Å
86	G	87.7	Confident	86.1	Confident	17 Å²	17	73.8 Å²	73.8	18%	0.175	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.7	-168.9	0	0	0	0	0	114.7	V84 T88 V89 L116	V84-G86 PolarHBondContact O-N 2.97Å; G86-T88 PolarHBondContact O-N 2.83Å; G86-V89 PolarHBondContact O-N 3.46Å; G86-V89 VanDerWaalsContact O-N 3.1Å; G86-L116 PolarHBondContact N-O 3.16Å
87	G	84.2	Confident	85	Confident	31 Å²	31	72.1 Å²	72.1	32%	0.32	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.2	-11.8	178.2	0	0	0	0	0	115.1	I85	I85-G87 VanDerWaalsContact C-N 3.27Å; I85-G87 PolarHBondContact O-N 3.01Å; I85-G87 VanDerWaalsContact O-N 3.13Å
88	T	88.4	Confident	83.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-104.8	-11.2	178.4	64.8	0	0	0	0	113.9	V48 I59 G60 R61 H62 I85 G86 Y115	V48-T88 HydrophobicContact CG2-CG2 3.64Å; I59-T88 HydrophobicContact CG2-CG2 4.04Å; G60-T88 CarbonylContact C-O 3.55Å; G60-T88 WeakPolarHBondContact CA-O 3.37Å; G60-T88 PolarHBondContact N-OG1 3.16Å; R61-T88 PolarHBondContact N-O 3.13Å; H62-T88 WeakPolarHBondContact CA-O 3.13Å; H62-T88 WeakPolarHBondContact CB-O 3.36Å; H62-T88 PolarHBondContact N-O 3.24Å; I85-T88 HydrophobicContact CG2-CG2 3.99Å; I85-T88 PolarHBondContact O-N 2.91Å; I85-T88 PolarHBondContact O-OG1 3.26Å; G86-T88 PolarHBondContact O-N 2.83Å; T88-Y115 HydrophobicContact CG2-CD1 4.46Å; T88-Y115 HydrophobicContact CG2-CE1 3.43Å; T88-Y115 VanDerWaalsContact CG2-CE1 3.43Å
89	V	89.2	Confident	82.4	Confident	53 Å²	53	76.6 Å²	76.6	32%	0.321	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-37.8	-171.4	179.5	0	0	0	0	112.7	H62 V84 G86	H62-V89 PolarHBondContact CD2-O 3.01Å; H62-V89 VanDerWaalsContact CD2-O 3.28Å; V84-V89 HydrophobicContact CG1-CG2 3.34Å; G86-V89 PolarHBondContact O-N 3.46Å; G86-V89 VanDerWaalsContact O-N 3.1Å
90	F	84.1	Confident	81.1	Confident	129 Å²	129	82.2 Å²	82.2	57%	0.566	40%	0.401	S	S	*	.	S	Bend	trans	-107.9	144.4	-171.8	-61.1	-72.2	0	0	0	112.2	H62 H92	H62-F90 WeakPolarHBondContact CB-O 3.41Å; F90-H92 PolarHBondContact O-CD2 3.48Å; F90-H92 VanDerWaalsContact O-CD2 3.3Å; F90-H92 PolarHBondContact O-N 3.09Å
91	P	86.1	Confident	79.7	Confident	96 Å²	96	77.8 Å²	77.8	62%	0.623	39%	0.387	S	S	*	.			trans	-66.2	123.7	174.6	26.6	-32.6	0	0	0	109.9	H62	H62-P91 VanDerWaalsContact CD2-N 3.32Å
92	H	79	Confident	78.2	Confident	93 Å²	93	83.8 Å²	83.8	43%	0.431	41%	0.409	S	S	.	.			trans	-127.7	152.3	173.4	-71	-66.8	0	0	0	110.5	F90 H94 K97	F90-H92 PolarHBondContact O-CD2 3.48Å; F90-H92 VanDerWaalsContact O-CD2 3.3Å; F90-H92 PolarHBondContact O-N 3.09Å; H92-H94 PolarHBondContact O-N 2.79Å; H92-K97 HydrophobicContact CB-CG 3.93Å; H92-K97 VanDerWaalsContact O-CE 3.29Å; H92-K97 WeakPolarHBondContact O-CE 3.48Å
93	K	76.5	Confident	76.6	Confident	146 Å²	146	82.9 Å²	82.9	64%	0.635	41%	0.411	S	S	*	.			trans	-55.5	138.4	168.9	-67.7	-171.2	176.5	-174	0	108.6	I95 R96 K97	K93-I95 HydrophobicContact CB-CG1 3.97Å; K93-I95 PolarHBondContact O-N 2.81Å; K93-I95 VanDerWaalsContact O-N 3.09Å; K93-R96 HydrophobicContact CB-CG 4.43Å; K93-R96 WeakPolarHBondContact O-CA 3.28Å; K93-R96 WeakPolarHBondContact O-CB 3.43Å; K93-R96 PolarHBondContact O-N 3.45Å; K93-K97 PolarHBondContact O-N 2.74Å
94	H	72.3	Confident	74.5	Confident	128 Å²	128	85.2 Å²	85.2	59%	0.593	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-52.8	-37.5	-177	-169	-59.9	0	0	0	112.8	L64 H92 R96 K97	L64-H94 VanDerWaalsContact CD1-NE2 3.29Å; L64-H94 WeakPolarHBondContact CD1-NE2 3.41Å; H92-H94 PolarHBondContact O-N 2.79Å; H94-R96 PolarHBondContact O-N 3.26Å; H94-R96 VanDerWaalsContact O-N 3.16Å; H94-K97 PolarHBondContact O-N 3.38Å
95	I	71.2	Confident	72.2	Confident	140 Å²	140	86 Å²	86	72%	0.718	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-63.9	-14.5	175.8	60.2	164.3	0	0	0	114.6	K93	K93-I95 HydrophobicContact CB-CG1 3.97Å; K93-I95 PolarHBondContact O-N 2.81Å; K93-I95 VanDerWaalsContact O-N 3.09Å
96	R	71.8	Confident	69.7	Low	181 Å²	181	91.5 Å²	91.5	68%	0.683	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-108.1	-1.7	-179.7	-61.6	-172.6	179.8	-179.6	-3	113.4	K93 H94	K93-R96 HydrophobicContact CB-CG 4.43Å; K93-R96 WeakPolarHBondContact O-CA 3.28Å; K93-R96 WeakPolarHBondContact O-CB 3.43Å; K93-R96 PolarHBondContact O-N 3.45Å; H94-R96 PolarHBondContact O-N 3.26Å; H94-R96 VanDerWaalsContact O-N 3.16Å
97	K	71	Confident	67.5	Low	43 Å²	43	100.7 Å²	100.7	19%	0.187	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-23.5	177.8	-69.9	-173.1	177.2	-168.9	0	113	H62 G63 L64 H92 K93 H94	H62-K97 WeakPolarHBondContact O-CD 3.29Å; H62-K97 WeakPolarHBondContact O-CE 3.45Å; H62-K97 PolarHBondContact O-NZ 2.74Å; G63-K97 PolarHBondContact O-NZ 3.28Å; L64-K97 HydrophobicContact CD2-CB 3.95Å; H92-K97 HydrophobicContact CB-CG 3.93Å; H92-K97 VanDerWaalsContact O-CE 3.29Å; H92-K97 WeakPolarHBondContact O-CE 3.48Å; K93-K97 PolarHBondContact O-N 2.74Å; H94-K97 PolarHBondContact O-N 3.38Å
98	A	67.4	Low	65.5	Low	20 Å²	20	106.8 Å²	106.8	17%	0.165	54%	0.538	C	S	.	.			trans	-93.3	132.1	175.3	0	0	0	0	0	109.2	L64 V101 P111	L64-A98 HydrophobicContact CD2-CB 4.34Å; A98-V101 HydrophobicContact CB-CG2 4.15Å; A98-P111 HydrophobicContact CB-CB 3.19Å; A98-P111 HydrophobicContact CB-CG 4.39Å
99	T	65	Low	63.4	Low	87 Å²	87	116.9 Å²	116.9	53%	0.534	58%	0.577	S	S	.	*	S	Bend	trans	-95.6	-28.7	172.5	-43.1	0	0	0	0	111.7	D112 S114	T99-D112 PolarHBondContact N-O 3.36Å; T99-S114 WeakPolarHBondContact CB-OG 3.08Å; T99-S114 WeakPolarHBondContact CG2-OG 3.47Å; T99-S114 PolarHBondContact OG1-OG 3.08Å
100	W	64.3	Low	61.4	Low	155 Å²	155	120 Å²	120	59%	0.587	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.7	138	176.1	-126.6	85.9	0	0	0	110.3	Y102 P111 D112	W100-Y102 HydrophobicContact CZ3-CD2 4.17Å; W100-P111 VanDerWaalsContact O-CA 3.27Å; W100-P111 WeakPolarHBondContact O-CA 3.37Å; W100-D112 HydrophobicContact CB-CB 4.15Å; W100-D112 PolarHBondContact N-O 3.14Å; W100-D112 VanDerWaalsContact N-O 3.16Å; W100-D112 PolarHBondContact O-N 3.15Å; W100-D112 VanDerWaalsContact O-N 3.14Å
101	V	62.8	Low	59.8	Low	61 Å²	61	114.8 Å²	114.8	37%	0.37	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	114	175.2	-178.3	0	0	0	0	106.5	A98 L103 R109	A98-V101 HydrophobicContact CB-CG2 4.15Å; V101-L103 PolarHBondContact O-N 3.22Å; V101-R109 HydrophobicContact CG1-CB 4.13Å; V101-R109 HydrophobicContact CG1-CG 3.84Å
102	Y	59.1	Low	57.9	Low	150 Å²	150	112.8 Å²	112.8	59%	0.588	55%	0.551	S	S	*	*			trans	-71.5	130.2	171.4	-171.9	-114.2	0	0	0	109.6	W100 A104	W100-Y102 HydrophobicContact CZ3-CD2 4.17Å; Y102-A104 HydrophobicContact CD1-CB 3.57Å; Y102-A104 HydrophobicContact CE1-CB 3.21Å
103	L	56.3	Low	56.6	Low	158 Å²	158	108.6 Å²	108.6	83%	0.827	53%	0.532	S	S	*	.			trans	-99.1	73.5	173.2	-66.2	173.2	0	0	0	108.5	V101	V101-L103 PolarHBondContact O-N 3.22Å
104	A	47.1	Very low	55.2	Low	50 Å²	50	103.5 Å²	103.5	41%	0.413	51%	0.514	S	S	.	.			trans	-86.4	145.1	156.5	0	0	0	0	0	109.1	Y102	Y102-A104 HydrophobicContact CD1-CB 3.57Å; Y102-A104 HydrophobicContact CE1-CB 3.21Å
105	G	41.6	Very low	54.3	Low	69 Å²	69	97.7 Å²	97.7	71%	0.711	49%	0.487	S	S	*	.	S	Bend	trans	-44.7	151.7	-173.6	0	0	0	0	0	115.2	Y107	G105-Y107 PolarHBondContact O-N 2.74Å
106	S	37.9	Very low	53	Low	114 Å²	114	95 Å²	95	80%	0.797	47%	0.474	S	S	*	.	S	Bend	trans	32.6	80.4	169	-49.1	0	0	0	0	115.4
107	Y	42.2	Very low	52	Low	211 Å²	211	86.4 Å²	86.4	83%	0.827	44%	0.441	S	S	*	.	S	Bend	trans	73.2	70.2	163.1	-56.3	-94.1	0	0	0	117.3	G105	G105-Y107 PolarHBondContact O-N 2.74Å
108	H	42.7	Very low	50.5	Low	158 Å²	158	88.5 Å²	88.5	73%	0.731	45%	0.452	S	S	*	.			trans	-151.9	103.5	138.2	-89.2	-65.2	0	0	0	110	E110	H108-E110 PolarHBondContact O-N 2.81Å
109	R	44.2	Very low	49	Very low	212 Å²	212	89.3 Å²	89.3	80%	0.8	45%	0.452	S	S	*	.			trans	-87.1	97.2	171.1	-72.5	-174.9	-76	-148.5	-5.2	107.4	V101 P111	V101-R109 HydrophobicContact CG1-CB 4.13Å; V101-R109 HydrophobicContact CG1-CG 3.84Å; R109-P111 VanDerWaalsContact O-CD 3.27Å; R109-P111 WeakPolarHBondContact O-CD 3.29Å
110	E	46.6	Very low	47.8	Very low	119 Å²	119	91.2 Å²	91.2	56%	0.556	45%	0.453	S	S	*	.			trans	-98.2	106	169.6	-82.7	-153	-175.2	0	0	109.7	K47 H108 D112	K47-E110 IonicContact NZ-OE2 3.71Å; K47-E110 PolarHBondContact NZ-OE2 3.02Å; H108-E110 PolarHBondContact O-N 2.81Å; E110-D112 PolarHBondContact O-N 2.8Å
111	P	50.1	Low	46.1	Very low	19 Å²	19	88.5 Å²	88.5	12%	0.123	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.8	-177.1	29.6	-32.4	0	0	0	110.5	K47 L64 A98 W100 R109	K47-P111 WeakPolarHBondContact CE-O 3.4Å; L64-P111 HydrophobicContact CD2-CB 3.76Å; L64-P111 HydrophobicContact CD2-CG 3.3Å; L64-P111 HydrophobicContact CG-CG 3.83Å; A98-P111 HydrophobicContact CB-CB 3.19Å; A98-P111 HydrophobicContact CB-CG 4.39Å; W100-P111 VanDerWaalsContact O-CA 3.27Å; W100-P111 WeakPolarHBondContact O-CA 3.37Å; R109-P111 VanDerWaalsContact O-CD 3.27Å; R109-P111 WeakPolarHBondContact O-CD 3.29Å
112	D	47.2	Very low	44.5	Very low	54 Å²	54	94.7 Å²	94.7	29%	0.289	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.5	164.9	-77.1	-36.1	0	0	0	108.6	K47 T99 W100 E110	K47-D112 WeakPolarHBondContact CE-OD1 3.16Å; K47-D112 IonicContact NZ-OD1 2.71Å; T99-D112 PolarHBondContact N-O 3.36Å; W100-D112 HydrophobicContact CB-CB 4.15Å; W100-D112 PolarHBondContact N-O 3.14Å; W100-D112 VanDerWaalsContact N-O 3.16Å; W100-D112 PolarHBondContact O-N 3.15Å; W100-D112 VanDerWaalsContact O-N 3.14Å; E110-D112 PolarHBondContact O-N 2.8Å
113	I	50.6	Low	42.9	Very low	6 Å²	6	95.2 Å²	95.2	3%	0.031	48%	0.481	C	S	.	.			trans	-105.2	104.3	-169.7	-47.6	172.6	0	0	0	108.5	A46 L64 Y115	A46-I113 VanDerWaalsContact O-O 3.1Å; L64-I113 HydrophobicContact CB-CD1 3.86Å; I113-Y115 HydrophobicContact CB-CD2 3.94Å; I113-Y115 HydrophobicContact CB-CE2 3.44Å; I113-Y115 VanDerWaalsContact CB-CE2 3.44Å; I113-Y115 HydrophobicContact CD1-CE2 4.07Å; I113-Y115 WeakPolarHBondContact CD1-OH 3.35Å; I113-Y115 HydrophobicContact CG1-CE2 4.34Å; I113-Y115 HydrophobicContact CG2-CD1 3.91Å; I113-Y115 HydrophobicContact CG2-CD2 3.64Å; I113-Y115 HydrophobicContact CG2-CE1 3.56Å; I113-Y115 HydrophobicContact CG2-CE2 3.27Å; I113-Y115 HydrophobicContact CG2-CG 3.95Å; I113-Y115 WeakPolarHBondContact O-CD2 3.32Å; I113-Y115 PolarHBondContact O-N 3.39Å
114	S	47.1	Very low	41.6	Very low	38 Å²	38	97.3 Å²	97.3	27%	0.266	48%	0.478	S	S	.	.			trans	-75.8	102.6	166.7	71.5	0	0	0	0	108	G42 T99	G42-S114 WeakPolarHBondContact O-CB 3.38Å; T99-S114 WeakPolarHBondContact CB-OG 3.08Å; T99-S114 WeakPolarHBondContact CG2-OG 3.47Å; T99-S114 PolarHBondContact OG1-OG 3.08Å
115	Y	53.4	Low	40.7	Very low	6 Å²	6	105 Å²	105	2%	0.024	50%	0.502	C	S	.	.			trans	-83.1	134.1	-176.5	-81.2	-73.7	0	0	0	112.5	V48 L74 I85 T88 I113	V48-Y115 HydrophobicContact CB-CE2 4.41Å; V48-Y115 HydrophobicContact CG1-CD2 4.37Å; V48-Y115 HydrophobicContact CG1-CE2 3.92Å; V48-Y115 HydrophobicContact CG2-CE1 4.38Å; V48-Y115 HydrophobicContact CG2-CE2 3.92Å; V48-Y115 WeakPolarHBondContact CG2-OH 3.5Å; L74-Y115 HydrophobicContact CD2-CD2 4.08Å; I85-Y115 HydrophobicContact CG2-CD1 3.09Å; I85-Y115 HydrophobicContact CG2-CD2 4.27Å; I85-Y115 HydrophobicContact CG2-CE1 3.46Å; I85-Y115 VanDerWaalsContact CG2-CE1 3.46Å; I85-Y115 HydrophobicContact CG2-CG 3.54Å; T88-Y115 HydrophobicContact CG2-CD1 4.46Å; T88-Y115 HydrophobicContact CG2-CE1 3.43Å; T88-Y115 VanDerWaalsContact CG2-CE1 3.43Å; I113-Y115 HydrophobicContact CB-CD2 3.94Å; I113-Y115 HydrophobicContact CB-CE2 3.44Å; I113-Y115 VanDerWaalsContact CB-CE2 3.44Å; I113-Y115 HydrophobicContact CD1-CE2 4.07Å; I113-Y115 WeakPolarHBondContact CD1-OH 3.35Å; I113-Y115 HydrophobicContact CG1-CE2 4.34Å; I113-Y115 HydrophobicContact CG2-CD1 3.91Å; I113-Y115 HydrophobicContact CG2-CD2 3.64Å; I113-Y115 HydrophobicContact CG2-CE1 3.56Å; I113-Y115 HydrophobicContact CG2-CE2 3.27Å; I113-Y115 HydrophobicContact CG2-CG 3.95Å; I113-Y115 WeakPolarHBondContact O-CD2 3.32Å; I113-Y115 PolarHBondContact O-N 3.39Å
116	L	43.7	Very low	40.5	Very low	83 Å²	83	112 Å²	112	44%	0.435	52%	0.521	S	S	.	.			trans	-81.9	114.7	156.2	-173.7	72.8	0	0	0	107.7	I39 M41 G86	I39-L116 HydrophobicContact CG2-CD1 3.56Å; I39-L116 HydrophobicContact CG2-CG 4.4Å; M41-L116 HydrophobicContact CB-CD1 3.91Å; G86-L116 PolarHBondContact N-O 3.16Å
117	H	50.7	Low	40.6	Very low	1 Å²	1	111.9 Å²	111.9	1%	0.005	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.2	175.6	169.4	102.1	0	0	0	109.5	I39 L40 C78 S83	I39-H117 CarbonylContact C-O 3.58Å; I39-H117 WeakPolarHBondContact CA-O 3.27Å; L40-H117 HydrophobicContact CB-CB 3.83Å; L40-H117 HydrophobicContact CD2-CB 4.31Å; L40-H117 HydrophobicContact CG-CB 4.32Å; L40-H117 PolarHBondContact N-O 2.73Å; L40-H117 WeakPolarHBondContact O-CA 2.98Å; L40-H117 WeakPolarHBondContact O-CB 3.16Å; L40-H117 PolarHBondContact O-N 3.43Å; L40-H117 VanDerWaalsContact O-O 3.13Å; C78-H117 PolarHBondContact SG-CE1 3.25Å; C78-H117 PolarHBondContact SG-ND1 3.38Å; S83-H117 WeakPolarHBondContact CB-CE1 3.27Å; S83-H117 WeakPolarHBondContact CB-NE2 3.1Å; S83-H117 PolarHBondContact OG-NE2 3.31Å
118	Q	40.4	Very low	40.5	Very low	87 Å²	87	106.7 Å²	106.7	41%	0.407	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.7	-175.1	-155.9	165.5	22.8	0	0	109.5	L37 I39 V84	L37-Q118 HydrophobicContact CD1-CG 3.84Å; I39-Q118 HydrophobicContact CG1-CG 4.36Å; V84-Q118 PolarHBondContact N-O 2.75Å; V84-Q118 PolarHBondContact O-N 3.37Å
119	Q	36.8	Very low	40.4	Very low	38 Å²	38	103.8 Å²	103.8	18%	0.178	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	98	170.2	-95	-176.5	-51.8	0	0	110.6	L37 T38 N81 S83	L37-Q119 WeakPolarHBondContact CD1-O 3.26Å; T38-Q119 PolarHBondContact N-O 3.5Å; T38-Q119 WeakPolarHBondContact O-CA 3.17Å; T38-Q119 VanDerWaalsContact O-CB 3.3Å; T38-Q119 WeakPolarHBondContact O-CB 3.25Å; T38-Q119 PolarHBondContact O-N 2.7Å; N81-Q119 PolarHBondContact O-NE2 2.93Å; N81-Q119 VanDerWaalsContact O-NE2 3.08Å; S83-Q119 VanDerWaalsContact CB-CG 3.49Å; S83-Q119 VanDerWaalsContact OG-CD 3.29Å; S83-Q119 WeakPolarHBondContact OG-CG 3.32Å; S83-Q119 PolarHBondContact OG-NE2 2.97Å
120	K	37.9	Very low	40.2	Very low	127 Å²	127	97.5 Å²	97.5	55%	0.552	46%	0.458	S	S	*	.			trans	-144.8	107.6	160.7	-129.9	-174.1	167.6	-177.8	0	109.9	L37	L37-K120 HydrophobicContact CB-CD 4.37Å; L37-K120 HydrophobicContact CB-CG 4.24Å; L37-K120 HydrophobicContact CD1-CB 3.9Å; L37-K120 HydrophobicContact CD1-CD 4.24Å; L37-K120 HydrophobicContact CD1-CG 3.93Å; L37-K120 HydrophobicContact CD2-CD 4.4Å
121	M	30.4	Very low	39.8	Very low	97 Å²	97	96.1 Å²	96.1	48%	0.478	45%	0.452	S	S	.	.				73.4	130.9	97.8	-60.8	-79.9	-90.9	0	0	114.4	Q123	M121-Q123 PolarHBondContact O-N 3.45Å
122	E	28.4	Very low	39.1	Very low	192 Å²	192	101.3 Å²	101.3	90%	0.897	47%	0.473	S	S	*	.	S	Bend	trans	-45.2	30.1	179.3	-68.6	168	151.5	0	0	118.2
123	Q	25.3	Very low	38.5	Very low	161 Å²	161	104.6 Å²	104.6	75%	0.752	49%	0.487	S	S	*	.			trans	-132.3	18.3	-171.7	-54.1	-161.8	15.6	0	0	114.9	M121	M121-Q123 PolarHBondContact O-N 3.45Å
124	W	29.9	Very low	37.6	Very low	201 Å²	201	112.2 Å²	112.2	76%	0.761	52%	0.522	S	S	*	.			trans	-128.1	66.8	169.4	-63.7	95	0	0	0	110.8	I126	W124-I126 HydrophobicContact CE3-CD1 4.19Å; W124-I126 HydrophobicContact CE3-CG1 4.17Å
125	K	27.1	Very low	36.8	Very low	213 Å²	213	118.4 Å²	118.4	93%	0.926	54%	0.543	S	S	*	.			trans	-84.3	108.9	144.1	-77	-172.5	176.9	-176	0	105.8
126	I	37.1	Very low	35.3	Very low	215 Å²	215	128.6 Å²	128.6	100%	1.103	59%	0.59	S	S	*	*			trans	-94.9	0	158.2	-48	175.5	0	0	0	105.8	W124	W124-I126 HydrophobicContact CE3-CD1 4.19Å; W124-I126 HydrophobicContact CE3-CG1 4.17Å

Retrieved 126 of 126 residues in 118 ms (Link to these results)

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