A0A3Q0KPA1_SCHMA Loading...

Protein quiver

AlphaFold DB , UniProt , Accession A0A3Q0KPA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 aa.

						>A0A3Q0KPA1_SCHMA|A0A3Q0KPA1
MTSTVVCQVGIGPGLRCYQCNSLTQPHCADYFDNRTFPLVACPNDGRNYSRCVKMIQEMYLDGKWTRRYYRDCAVTGVIGAEDGRWCIDRLGTYRVKVRYCNCNNKNGCNSSTLLTVSTTTHYTFIFTVSIFYIYRILKV
					

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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	42.5	Very low	50	Low	244 Å²	244	118 Å²	118	100%	1.202	68%	0.681	S	S	*	*				0	93.7	0	-66.7	173.1	174.9	0	0	107.8	S3	M1-S3 PolarHBondContact O-N 2.9Å
2	T	38.2	Very low	51.2	Low	137 Å²	137	109.6 Å²	109.6	84%	0.84	64%	0.638	S	S	*	*			trans	-75.4	101.7	179.1	39	0	0	0	0	108.9	T4	T2-T4 PolarHBondContact O-N 3.11Å
3	S	44.1	Very low	52.2	Low	109 Å²	109	112.6 Å²	112.6	76%	0.762	66%	0.664	S	S	*	*			trans	-77.3	99.8	175.7	-161.8	0	0	0	0	108.9	M1 V5	M1-S3 PolarHBondContact O-N 2.9Å; S3-V5 PolarHBondContact O-N 3.36Å; S3-V5 VanDerWaalsContact O-N 3.07Å
4	T	41.8	Very low	54.3	Low	122 Å²	122	108.2 Å²	108.2	75%	0.748	65%	0.654	S	S	*	*			trans	-68.3	98.7	167.8	40.3	0	0	0	0	108.6	T2 V6	T2-T4 PolarHBondContact O-N 3.11Å; T4-V6 PolarHBondContact O-N 3.02Å
5	V	48.4	Very low	56.7	Low	121 Å²	121	101.1 Å²	101.1	73%	0.733	61%	0.611	S	S	*	*			trans	-71.7	96.8	169.5	178.7	0	0	0	0	107.4	S3 C7	S3-V5 PolarHBondContact O-N 3.36Å; S3-V5 VanDerWaalsContact O-N 3.07Å; V5-C7 PolarHBondContact O-N 2.79Å
6	V	48.2	Very low	59.1	Low	119 Å²	119	101.9 Å²	101.9	72%	0.721	60%	0.599	S	S	*	*			trans	-68.6	99.6	168	-179.5	0	0	0	0	107	T4 Q8	T4-V6 PolarHBondContact O-N 3.02Å; V6-Q8 PolarHBondContact O-N 2.94Å
7	C	53.6	Low	61.3	Low	82 Å²	82	95.9 Å²	95.9	55%	0.554	56%	0.564	S	S	*	*			trans	-64.4	102.9	168.3	-83.1	0	0	0	0	108.1	V5 V9	V5-C7 PolarHBondContact O-N 2.79Å; C7-V9 PolarHBondContact O-N 3.39Å
8	Q	54.7	Low	63.2	Low	152 Å²	152	91.4 Å²	91.4	71%	0.71	54%	0.536	S	S	*	.			trans	-64.6	100.9	165.5	-73.6	-176.2	-48.3	0	0	108.1	V6 G10	V6-Q8 PolarHBondContact O-N 2.94Å; Q8-G10 PolarHBondContact O-N 3.27Å
9	V	57.4	Low	65	Low	92 Å²	92	89.8 Å²	89.8	56%	0.558	52%	0.523	S	S	*	.			trans	-66.5	98.5	170	178.3	0	0	0	0	106.8	C7 I11	C7-V9 PolarHBondContact O-N 3.39Å; V9-I11 HydrophobicContact CG1-CB 4.48Å; V9-I11 HydrophobicContact CG1-CD1 3.32Å; V9-I11 HydrophobicContact CG1-CG1 3.58Å; V9-I11 PolarHBondContact O-N 3.25Å
10	G	57.6	Low	66.6	Low	8 Å²	8	85.6 Å²	85.6	8%	0.082	50%	0.499	C	S	.	.			trans	-83.4	85.9	175.4	0	0	0	0	0	109.4	Q8 L15	Q8-G10 PolarHBondContact O-N 3.27Å; G10-L15 WeakPolarHBondContact O-CD1 3.32Å
11	I	63.9	Low	68.1	Low	112 Å²	112	84 Å²	84	57%	0.574	49%	0.488	S	S	*	.			trans	-114.3	135.2	171.5	-62.8	168.7	0	0	0	108	V9 N104	V9-I11 HydrophobicContact CG1-CB 4.48Å; V9-I11 HydrophobicContact CG1-CD1 3.32Å; V9-I11 HydrophobicContact CG1-CG1 3.58Å; V9-I11 PolarHBondContact O-N 3.25Å; I11-N104 WeakPolarHBondContact CG1-O 3.1Å
12	G	64.3	Low	70.6	Confident	17 Å²	17	73.1 Å²	73.1	18%	0.175	44%	0.436	C	S	.	.	S	Bend	trans	93.8	-154.8	174.7	0	0	0	0	0	114.5	G14 L15	G12-G14 PolarHBondContact O-N 3.38Å; G12-L15 VanDerWaalsContact O-CB 3.24Å; G12-L15 WeakPolarHBondContact O-CB 3.43Å; G12-L15 PolarHBondContact O-N 2.82Å
13	P	64.3	Low	73.3	Confident	149 Å²	149	71.4 Å²	71.4	97%	0.968	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.6	-167.7	23.6	-32.7	0	0	0	115.1
14	G	81	Confident	75.8	Confident	51 Å²	51	71.2 Å²	71.2	53%	0.526	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.5	172.1	0	0	0	0	0	114.8	G12 R16	G12-G14 PolarHBondContact O-N 3.38Å; G14-R16 PolarHBondContact O-N 3.18Å
15	L	90.8	Very high	78.4	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	40%	0.398	C	S	.	.			trans	-62.2	129.5	-179.8	178	67.2	0	0	0	110.8	G10 G12 C42	G10-L15 WeakPolarHBondContact O-CD1 3.32Å; G12-L15 VanDerWaalsContact O-CB 3.24Å; G12-L15 WeakPolarHBondContact O-CB 3.43Å; G12-L15 PolarHBondContact O-N 2.82Å; L15-C42 PolarHBondContact O-N 2.75Å; L15-C42 PolarHBondContact O-SG 3.1Å
16	R	95	Very high	80.6	Confident	113 Å²	113	68 Å²	68	43%	0.426	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.2	175.3	-48.8	-178.9	73.5	101.4	-3	109.7	G14 L39 V40 N107 G108	G14-R16 PolarHBondContact O-N 3.18Å; R16-L39 HydrophobicContact CB-CB 4.14Å; R16-L39 PolarHBondContact NE-O 2.96Å; R16-L39 VanDerWaalsContact NE-O 3.09Å; R16-L39 PolarHBondContact NH2-O 2.79Å; R16-V40 CarbonylContact C-O 3.43Å; R16-V40 VanDerWaalsContact CA-O 3.23Å; R16-V40 WeakPolarHBondContact CA-O 3.27Å; R16-N107 HydrophobicContact CB-CB 4.33Å; R16-N107 PolarHBondContact N-OD1 3.1Å; R16-N107 CarbonylContact O-C 3.57Å; R16-N107 WeakPolarHBondContact O-CA 3.48Å; R16-G108 PolarHBondContact O-N 2.95Å
17	C	95.6	Very high	82.7	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.4	-178.9	-57.4	0	0	0	0	110.1	V40 C52	C17-V40 PolarHBondContact N-O 3.2Å; C17-V40 PolarHBondContact O-N 3.3Å; C17-V40 VanDerWaalsContact O-N 3.17Å; C17-C52 HydrophobicContact CB-CB 3.79Å; C17-C52 WeakPolarHBondContact CB-SG 3.46Å; C17-C52 WeakPolarHBondContact SG-CA 3.28Å; C17-C52 WeakPolarHBondContact SG-CB 3.29Å; C17-C52 CovalentContact SG-SG 2.03Å; C17-C52 PolarHBondContact SG-SG 2.97Å
18	Y	96.6	Very high	84.7	Confident	16 Å²	16	65.1 Å²	65.1	6%	0.063	36%	0.363	C	S	.	.			trans	-71.1	131.9	162	-62.2	-70.7	0	0	0	108.4	F32 N34 F37 L39 R71 D72 G108 N110	Y18-F32 AromaticContact CD1-CE1 3.8Å; Y18-F32 HydrophobicContact CD1-CE1 3.8Å; Y18-F32 AromaticContact CD1-CZ 3.57Å; Y18-F32 HydrophobicContact CD1-CZ 3.57Å; Y18-F32 AromaticContact CD2-CE1 3.6Å; Y18-F32 HydrophobicContact CD2-CE1 3.6Å; Y18-F32 AromaticContact CD2-CZ 3.94Å; Y18-F32 HydrophobicContact CD2-CZ 3.94Å; Y18-F32 AromaticContact CE1-CE1 3.95Å; Y18-F32 HydrophobicContact CE1-CE1 3.95Å; Y18-F32 HydrophobicContact CE1-CZ 4.13Å; Y18-F32 AromaticContact CE2-CE1 3.78Å; Y18-F32 HydrophobicContact CE2-CE1 3.78Å; Y18-F32 HydrophobicContact CE2-CZ 4.46Å; Y18-F32 AromaticContact CG-CE1 3.61Å; Y18-F32 HydrophobicContact CG-CE1 3.61Å; Y18-F32 AromaticContact CG-CZ 3.46Å; Y18-F32 HydrophobicContact CG-CZ 3.46Å; Y18-F32 VanDerWaalsContact CG-CZ 3.46Å; Y18-F32 AromaticContact CZ-CE1 3.94Å; Y18-N34 HydrophobicContact CE1-CB 4.43Å; Y18-N34 VanDerWaalsContact OH-CB 3.27Å; Y18-N34 WeakPolarHBondContact OH-CB 3.37Å; Y18-N34 PolarHBondContact OH-ND2 2.79Å; Y18-F37 HydrophobicContact CD1-CB 4.01Å; Y18-F37 WeakPolarHBondContact CE1-O 3.31Å; Y18-L39 HydrophobicContact CD1-CD2 3.88Å; Y18-L39 HydrophobicContact CD1-CG 4.44Å; Y18-L39 HydrophobicContact CD2-CD2 3.95Å; Y18-L39 HydrophobicContact CE1-CD2 3.69Å; Y18-L39 HydrophobicContact CE1-CG 3.9Å; Y18-L39 HydrophobicContact CE2-CD2 3.73Å; Y18-L39 HydrophobicContact CG-CD2 4.02Å; Y18-R71 CarbonylContact O-C 3.56Å; Y18-R71 VanDerWaalsContact O-C 3.28Å; Y18-R71 WeakPolarHBondContact O-CB 3.5Å; Y18-D72 PolarHBondContact O-N 2.8Å; Y18-G108 WeakPolarHBondContact CE2-O 3.44Å; Y18-N110 WeakPolarHBondContact CD2-OD1 3.42Å; Y18-N110 PolarHBondContact N-OD1 2.83Å; Y18-N110 VanDerWaalsContact N-OD1 3.12Å; Y18-N110 PolarHBondContact O-ND2 2.81Å
19	Q	96.8	Very high	86.6	Confident	60 Å²	60	59.2 Å²	59.2	28%	0.28	34%	0.34	S	S	.	.			trans	-123.3	103	-179.5	-63.2	-179.7	37.6	0	0	107.9	V40 A41 R71	Q19-V40 HydrophobicContact CG-CB 4.49Å; Q19-V40 PolarHBondContact NE2-O 2.6Å; Q19-A41 PolarHBondContact NE2-O 3.06Å; Q19-R71 CarbonylContact C-O 3.59Å; Q19-R71 VanDerWaalsContact CA-O 3.26Å; Q19-R71 WeakPolarHBondContact CA-O 3.46Å
20	C	97.2	Very high	88.2	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	158.6	-176.1	68.2	0	0	0	0	113.3	C28 F37 R71	C20-C28 HydrophobicContact CB-CB 3.66Å; C20-C28 WeakPolarHBondContact CB-SG 3.42Å; C20-C28 PolarHBondContact O-SG 3.1Å; C20-C28 VanDerWaalsContact O-SG 3.34Å; C20-C28 WeakPolarHBondContact SG-CB 3.42Å; C20-C28 CovalentContact SG-SG 2.04Å; C20-C28 PolarHBondContact SG-SG 2.65Å; C20-F37 HydrophobicContact CB-CD1 3.73Å; C20-F37 HydrophobicContact CB-CE1 3.56Å; C20-F37 HydrophobicContact CB-CG 4.39Å; C20-F37 HydrophobicContact CB-CZ 4.13Å; C20-R71 PolarHBondContact N-O 3.21Å; C20-R71 PolarHBondContact O-N 2.87Å
21	N	97.1	Very high	89.7	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.273	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.5	177.2	-172.5	-19.2	0	0	0	111.7	L23 T24 Q25 Y70	N21-L23 PolarHBondContact O-N 3.34Å; N21-L23 VanDerWaalsContact O-N 3.1Å; N21-L23 VanDerWaalsContact OD1-CB 3.28Å; N21-L23 WeakPolarHBondContact OD1-CB 3.38Å; N21-L23 PolarHBondContact OD1-N 3.3Å; N21-T24 PolarHBondContact O-N 2.04Å; N21-T24 PolarHBondContact O-OG1 3.01Å; N21-Q25 WeakPolarHBondContact O-CA 3.15Å; N21-Q25 WeakPolarHBondContact O-CB 3.38Å; N21-Q25 PolarHBondContact O-N 2.74Å; N21-Y70 HydrophobicContact CB-CD2 4.13Å
22	S	96.9	Very high	91	Very high	17 Å²	17	59.4 Å²	59.4	12%	0.119	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.6	179.4	64.6	0	0	0	0	115.5	T24 Q25 R68 Y69	S22-T24 VanDerWaalsContact C-N 3.31Å; S22-Q25 WeakPolarHBondContact CA-O 3.06Å; S22-R68 WeakPolarHBondContact OG-CA 3.5Å; S22-Y69 WeakPolarHBondContact CB-O 3.37Å; S22-Y69 PolarHBondContact N-O 3.07Å; S22-Y69 PolarHBondContact OG-N 2.97Å; S22-Y69 PolarHBondContact OG-O 2.93Å
23	L	94.9	Very high	92.2	Very high	100 Å²	100	61.7 Å²	61.7	52%	0.524	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.7	176	178.6	59.4	0	0	0	111.4	N21	N21-L23 PolarHBondContact O-N 3.34Å; N21-L23 VanDerWaalsContact O-N 3.1Å; N21-L23 VanDerWaalsContact OD1-CB 3.28Å; N21-L23 WeakPolarHBondContact OD1-CB 3.38Å; N21-L23 PolarHBondContact OD1-N 3.3Å
24	T	96.6	Very high	93.4	Very high	106 Å²	106	57.6 Å²	57.6	65%	0.65	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-22.9	-178.2	53	0	0	0	0	112.4	N21 S22	N21-T24 PolarHBondContact O-N 2.04Å; N21-T24 PolarHBondContact O-OG1 3.01Å; S22-T24 VanDerWaalsContact C-N 3.31Å
25	Q	96.3	Very high	93.9	Very high	80 Å²	80	66 Å²	66	37%	0.374	32%	0.321	S	S	.	.			trans	-126.2	85.3	-176	-60	165.7	-44	0	0	109.8	N21 S22 H27 C28 F37	N21-Q25 WeakPolarHBondContact O-CA 3.15Å; N21-Q25 WeakPolarHBondContact O-CB 3.38Å; N21-Q25 PolarHBondContact O-N 2.74Å; S22-Q25 WeakPolarHBondContact CA-O 3.06Å; Q25-H27 PolarHBondContact O-N 2.6Å; Q25-C28 HydrophobicContact CB-CB 4.43Å; Q25-C28 WeakPolarHBondContact O-CB 3.06Å; Q25-C28 PolarHBondContact O-N 2.79Å; Q25-F37 HydrophobicContact CB-CE1 4.27Å; Q25-F37 HydrophobicContact CB-CZ 4.18Å
26	P	93.2	Very high	93.9	Very high	96 Å²	96	69 Å²	69	62%	0.623	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-54	-33.7	-172.4	-29.5	36.1	0	0	0	115	C28 A29	P26-C28 PolarHBondContact O-N 3.47Å; P26-C28 VanDerWaalsContact O-N 3.1Å; P26-A29 WeakPolarHBondContact O-CB 3.36Å; P26-A29 PolarHBondContact O-N 2.86Å
27	H	93.2	Very high	93.8	Very high	139 Å²	139	64.7 Å²	64.7	64%	0.644	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-63.2	-13.9	176.3	-63.9	-64.1	0	0	0	114.2	Q25 A29 F37	Q25-H27 PolarHBondContact O-N 2.6Å; H27-A29 PolarHBondContact O-N 2.88Å; H27-F37 VanDerWaalsContact C-CE2 3.43Å; H27-F37 HydrophobicContact CB-CE2 3.8Å; H27-F37 HydrophobicContact CB-CZ 4.03Å; H27-F37 WeakPolarHBondContact O-CE2 3.25Å
28	C	95.3	Very high	93.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-71.4	-13.6	171.6	-173.8	0	0	0	0	111.6	C20 Q25 P26 F37 R71	C20-C28 HydrophobicContact CB-CB 3.66Å; C20-C28 WeakPolarHBondContact CB-SG 3.42Å; C20-C28 PolarHBondContact O-SG 3.1Å; C20-C28 VanDerWaalsContact O-SG 3.34Å; C20-C28 WeakPolarHBondContact SG-CB 3.42Å; C20-C28 CovalentContact SG-SG 2.04Å; C20-C28 PolarHBondContact SG-SG 2.65Å; Q25-C28 HydrophobicContact CB-CB 4.43Å; Q25-C28 WeakPolarHBondContact O-CB 3.06Å; Q25-C28 PolarHBondContact O-N 2.79Å; P26-C28 PolarHBondContact O-N 3.47Å; P26-C28 VanDerWaalsContact O-N 3.1Å; C28-F37 HydrophobicContact CB-CE2 4.24Å; C28-F37 HydrophobicContact CB-CZ 3.9Å; C28-R71 PolarHBondContact O-NH1 3.1Å; C28-R71 PolarHBondContact O-NH2 3.46Å; C28-R71 PolarHBondContact SG-NH1 2.78Å
29	A	93.5	Very high	93.6	Very high	29 Å²	29	71.1 Å²	71.1	24%	0.24	36%	0.364	C	S	.	.	S	Bend	trans	-65.8	169.4	175.1	0	0	0	0	0	112.6	P26 H27 Y31 Y69	P26-A29 WeakPolarHBondContact O-CB 3.36Å; P26-A29 PolarHBondContact O-N 2.86Å; H27-A29 PolarHBondContact O-N 2.88Å; A29-Y31 CarbonylContact O-C 3.56Å; A29-Y69 HydrophobicContact CB-CD2 3.74Å; A29-Y69 HydrophobicContact CB-CE2 3.97Å
30	D	91.3	Very high	93.5	Very high	53 Å²	53	71.2 Å²	71.2	28%	0.283	37%	0.368	S	S	.	.	S	Bend	trans	-80.6	138.4	163.4	-75.6	-34.5	0	0	0	108.7	K54 Y69 R71 S112	D30-K54 IonicContact OD1-NZ 3.42Å; D30-K54 IonicContact OD2-NZ 3.71Å; D30-K54 PolarHBondContact OD2-NZ 2.98Å; D30-Y69 HydrophobicContact CB-CE1 3.85Å; D30-Y69 WeakPolarHBondContact OD2-CE1 3.44Å; D30-R71 IonicContact OD1-NH2 3.2Å; D30-R71 PolarHBondContact OD1-NH2 3.05Å; D30-S112 VanDerWaalsContact CG-OG 3.31Å; D30-S112 WeakPolarHBondContact OD1-CB 3.38Å; D30-S112 PolarHBondContact OD1-OG 2.86Å
31	Y	89.4	Confident	93.4	Very high	160 Å²	160	73.1 Å²	73.1	63%	0.627	39%	0.385	S	S	*	.	S	Bend	cis	-75.3	125.7	4.4	-170.9	-94.8	0	0	0	113.1	A29 L114	A29-Y31 CarbonylContact O-C 3.56Å; Y31-L114 HydrophobicContact CE2-CG 4.4Å; Y31-L114 WeakPolarHBondContact OH-CD2 3.18Å; Y31-L114 WeakPolarHBondContact OH-CG 3.06Å
32	F	91.4	Very high	93.2	Very high	3 Å²	3	71.8 Å²	71.8	1%	0.013	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-86.6	120.4	-173.9	-174.6	-105.2	0	0	0	111.2	Y18 N34 F37 R71	Y18-F32 AromaticContact CD1-CE1 3.8Å; Y18-F32 HydrophobicContact CD1-CE1 3.8Å; Y18-F32 AromaticContact CD1-CZ 3.57Å; Y18-F32 HydrophobicContact CD1-CZ 3.57Å; Y18-F32 AromaticContact CD2-CE1 3.6Å; Y18-F32 HydrophobicContact CD2-CE1 3.6Å; Y18-F32 AromaticContact CD2-CZ 3.94Å; Y18-F32 HydrophobicContact CD2-CZ 3.94Å; Y18-F32 AromaticContact CE1-CE1 3.95Å; Y18-F32 HydrophobicContact CE1-CE1 3.95Å; Y18-F32 HydrophobicContact CE1-CZ 4.13Å; Y18-F32 AromaticContact CE2-CE1 3.78Å; Y18-F32 HydrophobicContact CE2-CE1 3.78Å; Y18-F32 HydrophobicContact CE2-CZ 4.46Å; Y18-F32 AromaticContact CG-CE1 3.61Å; Y18-F32 HydrophobicContact CG-CE1 3.61Å; Y18-F32 AromaticContact CG-CZ 3.46Å; Y18-F32 HydrophobicContact CG-CZ 3.46Å; Y18-F32 VanDerWaalsContact CG-CZ 3.46Å; Y18-F32 AromaticContact CZ-CE1 3.94Å; F32-N34 WeakPolarHBondContact CD1-OD1 3.01Å; F32-N34 WeakPolarHBondContact CE1-OD1 3.44Å; F32-F37 HydrophobicContact CD2-CD2 4.44Å; F32-F37 AromaticContact CE2-CD2 3.55Å; F32-F37 HydrophobicContact CE2-CD2 3.55Å; F32-F37 HydrophobicContact CE2-CE2 4.11Å; F32-F37 HydrophobicContact CE2-CG 4.23Å; F32-F37 HydrophobicContact CZ-CB 4.13Å; F32-F37 AromaticContact CZ-CD2 3.95Å; F32-F37 HydrophobicContact CZ-CD2 3.95Å; F32-F37 HydrophobicContact CZ-CG 4.33Å; F32-R71 VanDerWaalsContact CD2-CZ 3.46Å
33	D	89.9	Confident	93	Very high	64 Å²	64	73.5 Å²	73.5	34%	0.342	39%	0.39	S	S	.	.			trans	-95.4	109	172.8	-174	-2.3	0	0	0	110.7	R35 T36	D33-R35 PolarHBondContact O-N 2.76Å; D33-R35 VanDerWaalsContact OD1-CB 3.29Å; D33-R35 WeakPolarHBondContact OD1-CB 3.17Å; D33-R35 WeakPolarHBondContact OD1-CG 3.15Å; D33-R35 PolarHBondContact OD1-N 2.87Å; D33-T36 HydrophobicContact CB-CG2 3.97Å; D33-T36 PolarHBondContact O-N 2.81Å; D33-T36 PolarHBondContact O-OG1 2.7Å
34	N	90.3	Very high	92.8	Very high	63 Å²	63	76.7 Å²	76.7	34%	0.337	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.3	176.9	-67.8	-0.9	0	0	0	113.6	Y18 F32 F37 S111	Y18-N34 HydrophobicContact CE1-CB 4.43Å; Y18-N34 VanDerWaalsContact OH-CB 3.27Å; Y18-N34 WeakPolarHBondContact OH-CB 3.37Å; Y18-N34 PolarHBondContact OH-ND2 2.79Å; F32-N34 WeakPolarHBondContact CD1-OD1 3.01Å; F32-N34 WeakPolarHBondContact CE1-OD1 3.44Å; N34-F37 VanDerWaalsContact O-O 3.1Å; N34-S111 WeakPolarHBondContact OD1-CB 3.26Å
35	R	89.8	Confident	92.5	Very high	229 Å²	229	75.4 Å²	75.4	86%	0.864	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-21.8	177	-59.8	169	-179.9	170.5	0.1	112.8	D33	D33-R35 PolarHBondContact O-N 2.76Å; D33-R35 VanDerWaalsContact OD1-CB 3.29Å; D33-R35 WeakPolarHBondContact OD1-CB 3.17Å; D33-R35 WeakPolarHBondContact OD1-CG 3.15Å; D33-R35 PolarHBondContact OD1-N 2.87Å
36	T	91.5	Very high	92.2	Very high	63 Å²	63	75.2 Å²	75.2	39%	0.387	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.7	-176.4	61.5	0	0	0	0	113.2	D33	D33-T36 HydrophobicContact CB-CG2 3.97Å; D33-T36 PolarHBondContact O-N 2.81Å; D33-T36 PolarHBondContact O-OG1 2.7Å
37	F	93.7	Very high	92.1	Very high	23 Å²	23	78.4 Å²	78.4	10%	0.101	42%	0.415	C	S	.	.	S	Bend	trans	-125.6	123.6	177.9	-64.9	-85	0	0	0	110.4	Y18 C20 Q25 H27 C28 F32 N34	Y18-F37 HydrophobicContact CD1-CB 4.01Å; Y18-F37 WeakPolarHBondContact CE1-O 3.31Å; C20-F37 HydrophobicContact CB-CD1 3.73Å; C20-F37 HydrophobicContact CB-CE1 3.56Å; C20-F37 HydrophobicContact CB-CG 4.39Å; C20-F37 HydrophobicContact CB-CZ 4.13Å; Q25-F37 HydrophobicContact CB-CE1 4.27Å; Q25-F37 HydrophobicContact CB-CZ 4.18Å; H27-F37 VanDerWaalsContact C-CE2 3.43Å; H27-F37 HydrophobicContact CB-CE2 3.8Å; H27-F37 HydrophobicContact CB-CZ 4.03Å; H27-F37 WeakPolarHBondContact O-CE2 3.25Å; C28-F37 HydrophobicContact CB-CE2 4.24Å; C28-F37 HydrophobicContact CB-CZ 3.9Å; F32-F37 HydrophobicContact CD2-CD2 4.44Å; F32-F37 AromaticContact CE2-CD2 3.55Å; F32-F37 HydrophobicContact CE2-CD2 3.55Å; F32-F37 HydrophobicContact CE2-CE2 4.11Å; F32-F37 HydrophobicContact CE2-CG 4.23Å; F32-F37 HydrophobicContact CZ-CB 4.13Å; F32-F37 AromaticContact CZ-CD2 3.95Å; F32-F37 HydrophobicContact CZ-CD2 3.95Å; F32-F37 HydrophobicContact CZ-CG 4.33Å; N34-F37 VanDerWaalsContact O-O 3.1Å
38	P	93.2	Very high	92	Very high	99 Å²	99	77.7 Å²	77.7	64%	0.643	42%	0.416	S	S	*	.			trans	-70	153.6	174.4	29.7	-34.2	0	0	0	111.2	V40	P38-V40 HydrophobicContact CG-CG2 4.37Å; P38-V40 PolarHBondContact O-N 3.4Å
39	L	94.2	Very high	91.9	Very high	52 Å²	52	79.3 Å²	79.3	27%	0.272	42%	0.422	S	S	.	.			trans	-74.4	113.8	168.1	-76.8	173.5	0	0	0	110.1	R16 Y18	R16-L39 HydrophobicContact CB-CB 4.14Å; R16-L39 PolarHBondContact NE-O 2.96Å; R16-L39 VanDerWaalsContact NE-O 3.09Å; R16-L39 PolarHBondContact NH2-O 2.79Å; Y18-L39 HydrophobicContact CD1-CD2 3.88Å; Y18-L39 HydrophobicContact CD1-CG 4.44Å; Y18-L39 HydrophobicContact CD2-CD2 3.95Å; Y18-L39 HydrophobicContact CE1-CD2 3.69Å; Y18-L39 HydrophobicContact CE1-CG 3.9Å; Y18-L39 HydrophobicContact CE2-CD2 3.73Å; Y18-L39 HydrophobicContact CG-CD2 4.02Å
40	V	94.7	Very high	91.8	Very high	62 Å²	62	79.2 Å²	79.2	38%	0.376	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.4	-178.3	-173.9	0	0	0	0	109	R16 C17 Q19 P38	R16-V40 CarbonylContact C-O 3.43Å; R16-V40 VanDerWaalsContact CA-O 3.23Å; R16-V40 WeakPolarHBondContact CA-O 3.27Å; C17-V40 PolarHBondContact N-O 3.2Å; C17-V40 PolarHBondContact O-N 3.3Å; C17-V40 VanDerWaalsContact O-N 3.17Å; Q19-V40 HydrophobicContact CG-CB 4.49Å; Q19-V40 PolarHBondContact NE2-O 2.6Å; P38-V40 HydrophobicContact CG-CG2 4.37Å; P38-V40 PolarHBondContact O-N 3.4Å
41	A	94.4	Very high	91.9	Very high	47 Å²	47	78.5 Å²	78.5	39%	0.388	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	144	172.9	0	0	0	0	0	110.2	Q19	Q19-A41 PolarHBondContact NE2-O 3.06Å
42	C	94.4	Very high	92.1	Very high	22 Å²	22	70.9 Å²	70.9	15%	0.149	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-61.9	149.3	173.4	-62.6	0	0	0	0	111.1	L15 Y49 C73	L15-C42 PolarHBondContact O-N 2.75Å; L15-C42 PolarHBondContact O-SG 3.1Å; C42-Y49 HydrophobicContact CB-CD2 4.14Å; C42-Y49 HydrophobicContact CB-CG 3.91Å; C42-C73 WeakPolarHBondContact CA-SG 3.4Å; C42-C73 HydrophobicContact CB-CB 3.7Å; C42-C73 WeakPolarHBondContact CB-SG 3.26Å; C42-C73 WeakPolarHBondContact SG-CB 3.23Å; C42-C73 CovalentContact SG-SG 2.03Å; C42-C73 PolarHBondContact SG-SG 2.8Å
43	P	92.8	Very high	92.3	Very high	53 Å²	53	71.4 Å²	71.4	34%	0.344	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-55.9	141.8	178.8	-24	33.5	0	0	0	111.9	D45 Y49	P43-D45 PolarHBondContact O-N 2.77Å; P43-Y49 HydrophobicContact CB-CE2 3.87Å; P43-Y49 HydrophobicContact CG-CE2 4.13Å; P43-Y49 VanDerWaalsContact O-CD2 3.23Å; P43-Y49 WeakPolarHBondContact O-CD2 3.22Å; P43-Y49 VanDerWaalsContact O-CE2 3.26Å; P43-Y49 WeakPolarHBondContact O-CE2 3.45Å
44	N	89.1	Confident	92.6	Very high	168 Å²	168	69.2 Å²	69.2	90%	0.898	37%	0.374	S	S	*	.			trans	-101	61.7	173.2	-169.1	17.8	0	0	0	110
45	D	91.7	Very high	92.9	Very high	79 Å²	79	68.2 Å²	68.2	42%	0.422	37%	0.368	S	S	.	.	S	Bend	trans	-99.9	17.8	-176.6	72	-19.3	0	0	0	112.7	P43 R47 Y49	P43-D45 PolarHBondContact O-N 2.77Å; D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 2.83Å; D45-R47 VanDerWaalsContact OD1-CB 3.23Å; D45-R47 WeakPolarHBondContact OD1-CB 3.34Å; D45-R47 VanDerWaalsContact OD1-CG 3.26Å; D45-R47 WeakPolarHBondContact OD1-CG 3.41Å; D45-R47 PolarHBondContact OD1-N 2.89Å; D45-R47 VanDerWaalsContact OD1-N 3.1Å; D45-R47 VanDerWaalsContact OD2-CD 3.25Å; D45-R47 WeakPolarHBondContact OD2-CD 3.22Å; D45-R47 IonicContact OD2-CZ 2.78Å; D45-R47 IonicContact OD2-NE 2.83Å; D45-R47 PolarHBondContact OD2-NE 2.68Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.3Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.29Å
46	G	90.1	Very high	93.2	Very high	75 Å²	75	58 Å²	58	77%	0.773	33%	0.331	S	S	*	.	S	Bend	trans	81.9	-3.3	-175.3	0	0	0	0	0	114.4
47	R	91	Very high	93.4	Very high	163 Å²	163	57.6 Å²	57.6	62%	0.615	32%	0.324	S	S	*	.			trans	-83.5	143.4	172.6	-57.7	179.1	-162.4	-139.2	-4.6	111.3	D45 Y49 V75	D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 2.83Å; D45-R47 VanDerWaalsContact OD1-CB 3.23Å; D45-R47 WeakPolarHBondContact OD1-CB 3.34Å; D45-R47 VanDerWaalsContact OD1-CG 3.26Å; D45-R47 WeakPolarHBondContact OD1-CG 3.41Å; D45-R47 PolarHBondContact OD1-N 2.89Å; D45-R47 VanDerWaalsContact OD1-N 3.1Å; D45-R47 VanDerWaalsContact OD2-CD 3.25Å; D45-R47 WeakPolarHBondContact OD2-CD 3.22Å; D45-R47 IonicContact OD2-CZ 2.78Å; D45-R47 IonicContact OD2-NE 2.83Å; D45-R47 PolarHBondContact OD2-NE 2.68Å; R47-Y49 HydrophobicContact CB-CD2 4.22Å; R47-Y49 HydrophobicContact CB-CE2 3.85Å; R47-Y49 WeakPolarHBondContact O-CD2 3.14Å; R47-Y49 PolarHBondContact O-N 2.87Å; R47-V75 HydrophobicContact CB-CG2 3.78Å
48	N	90.8	Very high	93.5	Very high	124 Å²	124	58.8 Å²	58.8	66%	0.663	33%	0.33	S	S	*	.			trans	-85.1	75.4	179	-168.3	9	0	0	0	111.8	S50	N48-S50 PolarHBondContact O-N 2.86Å
49	Y	92.6	Very high	93.6	Very high	34 Å²	34	54.8 Å²	54.8	13%	0.133	30%	0.303	C	S	.	.			trans	-63.5	115.8	172.8	-67.6	-80.6	0	0	0	110.5	C42 P43 D45 R47 C73 V75	C42-Y49 HydrophobicContact CB-CD2 4.14Å; C42-Y49 HydrophobicContact CB-CG 3.91Å; P43-Y49 HydrophobicContact CB-CE2 3.87Å; P43-Y49 HydrophobicContact CG-CE2 4.13Å; P43-Y49 VanDerWaalsContact O-CD2 3.23Å; P43-Y49 WeakPolarHBondContact O-CD2 3.22Å; P43-Y49 VanDerWaalsContact O-CE2 3.26Å; P43-Y49 WeakPolarHBondContact O-CE2 3.45Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.3Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.29Å; R47-Y49 HydrophobicContact CB-CD2 4.22Å; R47-Y49 HydrophobicContact CB-CE2 3.85Å; R47-Y49 WeakPolarHBondContact O-CD2 3.14Å; R47-Y49 PolarHBondContact O-N 2.87Å; Y49-C73 HydrophobicContact CD1-CB 3.4Å; Y49-C73 HydrophobicContact CE1-CB 3.84Å; Y49-C73 HydrophobicContact CG-CB 4.05Å; Y49-V75 HydrophobicContact CD1-CG2 3.79Å; Y49-V75 HydrophobicContact CE1-CG2 3.89Å; Y49-V75 HydrophobicContact CG-CG2 4.22Å
50	S	91.7	Very high	93.5	Very high	27 Å²	27	56.9 Å²	56.9	19%	0.189	31%	0.308	C	S	.	.			trans	-122.5	-6.4	-171.1	49.4	0	0	0	0	113.9	N48 A74 V75 N104	N48-S50 PolarHBondContact O-N 2.86Å; S50-A74 PolarHBondContact N-O 2.87Å; S50-V75 PolarHBondContact OG-O 2.72Å; S50-N104 WeakPolarHBondContact O-CB 3.08Å
51	R	92.9	Very high	93.3	Very high	39 Å²	39	56.7 Å²	56.7	15%	0.147	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	159.9	-178.4	65.9	-168.2	66.6	76.1	4.1	111.6	A74 V75 T76 G77 I79 C103 N104	R51-A74 HydrophobicContact CG-CB 3.93Å; R51-A74 PolarHBondContact N-O 2.03Å; R51-A74 PolarHBondContact O-N 3.04Å; R51-V75 PolarHBondContact NH1-O 3.5Å; R51-T76 PolarHBondContact NH1-O 3.31Å; R51-G77 PolarHBondContact NE-O 3.29Å; R51-I79 HydrophobicContact CB-CD1 3.93Å; R51-I79 HydrophobicContact CG-CD1 4.38Å; R51-C103 CarbonylContact C-O 3.28Å; R51-C103 WeakPolarHBondContact CA-O 3.49Å; R51-C103 VanDerWaalsContact CB-O 3.27Å; R51-C103 WeakPolarHBondContact CB-O 3.4Å; R51-N104 HydrophobicContact CB-CB 3.92Å
52	C	95	Very high	93.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	154	166.2	-53.8	0	0	0	0	110.1	C17 N102 C103 N110	C17-C52 HydrophobicContact CB-CB 3.79Å; C17-C52 WeakPolarHBondContact CB-SG 3.46Å; C17-C52 WeakPolarHBondContact SG-CA 3.28Å; C17-C52 WeakPolarHBondContact SG-CB 3.29Å; C17-C52 CovalentContact SG-SG 2.03Å; C17-C52 PolarHBondContact SG-SG 2.97Å; C52-N102 WeakPolarHBondContact O-CA 3.27Å; C52-C103 PolarHBondContact N-O 3.02Å; C52-C103 PolarHBondContact O-N 3.36Å; C52-N110 HydrophobicContact CB-CB 3.61Å
53	V	95.5	Very high	93.1	Very high	14 Å²	14	63.1 Å²	63.1	9%	0.085	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139	173.1	62.7	0	0	0	0	110.8	R71 D72 A74 Y100 C101 N102 N110	V53-R71 VanDerWaalsContact O-CA 3.31Å; V53-R71 WeakPolarHBondContact O-CA 3.42Å; V53-D72 HydrophobicContact CG1-CB 4.21Å; V53-D72 WeakPolarHBondContact CG1-O 3.3Å; V53-D72 PolarHBondContact N-O 3.21Å; V53-D72 PolarHBondContact O-N 3.34Å; V53-D72 VanDerWaalsContact O-N 3.1Å; V53-A74 HydrophobicContact CB-CB 4.06Å; V53-A74 HydrophobicContact CG1-CB 3.97Å; V53-Y100 HydrophobicContact CG2-CD1 4.36Å; V53-C101 WeakPolarHBondContact CA-O 2.96Å; V53-N102 WeakPolarHBondContact CB-OD1 3.34Å; V53-N102 VanDerWaalsContact CG2-OD1 3.27Å; V53-N102 WeakPolarHBondContact CG2-OD1 3.18Å; V53-N110 PolarHBondContact O-ND2 3.31Å
54	K	96	Very high	93.2	Very high	17 Å²	17	66.7 Å²	66.7	7%	0.074	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.1	157.3	-177.7	178.5	92.3	166.1	0	107.8	D30 I56 Y70 R71 C101 N110	D30-K54 IonicContact OD1-NZ 3.42Å; D30-K54 IonicContact OD2-NZ 3.71Å; D30-K54 PolarHBondContact OD2-NZ 2.98Å; K54-I56 HydrophobicContact CG-CG1 4.49Å; K54-Y70 CarbonylContact C-O 3.55Å; K54-R71 HydrophobicContact CB-CG 4.08Å; K54-R71 HydrophobicContact CG-CG 3.95Å; K54-C101 HydrophobicContact CB-CB 4.18Å; K54-C101 PolarHBondContact N-O 3.24Å; K54-C101 PolarHBondContact O-N 2.78Å; K54-N110 HydrophobicContact CB-CB 4.27Å
55	M	96	Very high	93.5	Very high	42 Å²	42	66.7 Å²	66.7	21%	0.207	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125	175.2	-177.1	179.1	72.8	0	0	109.3	Y69 Y70 V98 R99 Y100	M55-Y69 WeakPolarHBondContact O-CA 3.03Å; M55-Y70 HydrophobicContact CE-CD1 4.26Å; M55-Y70 HydrophobicContact CE-CG 4.24Å; M55-Y70 PolarHBondContact N-O 2.03Å; M55-Y70 PolarHBondContact O-N 3.43Å; M55-V98 HydrophobicContact CG-CG1 3.44Å; M55-V98 VanDerWaalsContact CG-CG1 3.44Å; M55-V98 HydrophobicContact SD-CG1 3.75Å; M55-R99 WeakPolarHBondContact CA-O 3.37Å; M55-Y100 HydrophobicContact CB-CD1 4.41Å; M55-Y100 HydrophobicContact CB-CE1 4.48Å; M55-Y100 HydrophobicContact CG-CD1 4.17Å; M55-Y100 HydrophobicContact CG-CE1 3.9Å; M55-Y100 HydrophobicContact SD-CD1 4.44Å; M55-Y100 HydrophobicContact SD-CE1 3.63Å
56	I	95.7	Very high	93.6	Very high	15 Å²	15	64.3 Å²	64.3	8%	0.077	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.6	173.5	-48.6	172.7	0	0	0	107.4	K54 R67 R68 Y69 V98 R99	K54-I56 HydrophobicContact CG-CG1 4.49Å; I56-R67 HydrophobicContact CG2-CG 3.61Å; I56-R68 CarbonylContact C-O 3.59Å; I56-R68 WeakPolarHBondContact CA-O 2.99Å; I56-Y69 HydrophobicContact CB-CE1 4.46Å; I56-Y69 HydrophobicContact CD1-CD1 4.4Å; I56-Y69 HydrophobicContact CD1-CE1 3.91Å; I56-Y69 HydrophobicContact CG1-CD1 3.81Å; I56-Y69 HydrophobicContact CG1-CE1 3.78Å; I56-Y69 HydrophobicContact CG2-CD1 4.32Å; I56-Y69 HydrophobicContact CG2-CE1 3.97Å; I56-V98 CarbonylContact O-C 3.55Å; I56-V98 WeakPolarHBondContact O-CA 3.23Å; I56-R99 HydrophobicContact CB-CB 4.21Å; I56-R99 PolarHBondContact N-O 2.9Å; I56-R99 PolarHBondContact O-N 3.01Å
57	Q	95.8	Very high	93.8	Very high	55 Å²	55	67.3 Å²	67.3	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	179.1	-174.5	174.3	20.3	0	0	109.5	M59 R67 R68 V96 V98	Q57-M59 HydrophobicContact CB-CE 4.47Å; Q57-M59 HydrophobicContact CG-CE 3.41Å; Q57-M59 VanDerWaalsContact CG-CE 3.41Å; Q57-R67 CarbonylContact O-C 3.55Å; Q57-R67 VanDerWaalsContact O-CA 3.29Å; Q57-R67 WeakPolarHBondContact O-CA 3.31Å; Q57-R68 PolarHBondContact N-O 3.02Å; Q57-R68 PolarHBondContact O-N 3.49Å; Q57-V96 HydrophobicContact CG-CG1 4.32Å; Q57-V98 HydrophobicContact CG-CG2 4.19Å
58	E	95.8	Very high	94	Very high	48 Å²	48	63 Å²	63	22%	0.224	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.1	174.6	-66.7	175.3	173.9	0	0	108.5	T66 R67 V96 K97	E58-T66 WeakPolarHBondContact CA-O 3.01Å; E58-R67 HydrophobicContact CG-CB 4.33Å; E58-R67 HydrophobicContact CG-CG 3.91Å; E58-R67 IonicContact OE1-CZ 3.08Å; E58-R67 IonicContact OE1-NE 2.78Å; E58-R67 PolarHBondContact OE1-NE 3.17Å; E58-R67 IonicContact OE1-NH2 2.65Å; E58-R67 PolarHBondContact OE1-NH2 3.07Å; E58-V96 CarbonylContact O-C 3.5Å; E58-V96 WeakPolarHBondContact O-CA 3.45Å; E58-K97 HydrophobicContact CB-CB 4.37Å; E58-K97 PolarHBondContact N-O 3.31Å; E58-K97 PolarHBondContact O-N 3.05Å
59	M	94.8	Very high	94.3	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.1	-179.1	60.3	177.6	84.8	0	0	110.9	Q57 L61 T66 V96	Q57-M59 HydrophobicContact CB-CE 4.47Å; Q57-M59 HydrophobicContact CG-CE 3.41Å; Q57-M59 VanDerWaalsContact CG-CE 3.41Å; M59-L61 HydrophobicContact CG-CD1 3.99Å; M59-L61 HydrophobicContact CG-CD2 4.48Å; M59-L61 HydrophobicContact CG-CG 3.81Å; M59-L61 HydrophobicContact SD-CD1 3.32Å; M59-L61 WeakPolarHBondContact SD-CD1 3.44Å; M59-L61 HydrophobicContact SD-CD2 3.88Å; M59-L61 HydrophobicContact SD-CG 3.55Å; M59-L61 VanDerWaalsContact SD-CG 3.55Å; M59-T66 PolarHBondContact N-O 3.24Å; M59-T66 PolarHBondContact O-N 3.12Å; M59-V96 HydrophobicContact CB-CG2 4.08Å
60	Y	93.5	Very high	94.5	Very high	95 Å²	95	60.2 Å²	60.2	37%	0.373	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109	173.7	-165.2	-100.9	0	0	0	109.5	G63 K64 W65	Y60-G63 VanDerWaalsContact OH-C 3.3Å; Y60-G63 WeakPolarHBondContact OH-CA 3.26Å; Y60-G63 PolarHBondContact OH-O 3.17Å; Y60-K64 WeakPolarHBondContact CA-O 3.23Å; Y60-W65 AromaticContact CD2-CD1 3.96Å; Y60-W65 AromaticContact CD2-CD2 3.89Å; Y60-W65 HydrophobicContact CD2-CD2 3.89Å; Y60-W65 AromaticContact CD2-CE2 3.85Å; Y60-W65 HydrophobicContact CD2-CE3 4.48Å; Y60-W65 AromaticContact CD2-CG 3.98Å; Y60-W65 HydrophobicContact CD2-CG 3.98Å; Y60-W65 HydrophobicContact CD2-CZ2 4.43Å; Y60-W65 AromaticContact CD2-NE1 3.87Å
61	L	90.7	Very high	94.8	Very high	59 Å²	59	59 Å²	59	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.8	179.5	-65.9	179.6	0	0	0	109.1	M59 G63 K64	M59-L61 HydrophobicContact CG-CD1 3.99Å; M59-L61 HydrophobicContact CG-CD2 4.48Å; M59-L61 HydrophobicContact CG-CG 3.81Å; M59-L61 HydrophobicContact SD-CD1 3.32Å; M59-L61 WeakPolarHBondContact SD-CD1 3.44Å; M59-L61 HydrophobicContact SD-CD2 3.88Å; M59-L61 HydrophobicContact SD-CG 3.55Å; M59-L61 VanDerWaalsContact SD-CG 3.55Å; L61-G63 PolarHBondContact O-N 3.46Å; L61-G63 VanDerWaalsContact O-N 3.11Å; L61-K64 PolarHBondContact N-O 3.34Å; L61-K64 WeakPolarHBondContact O-CG 3.34Å; L61-K64 PolarHBondContact O-N 2.98Å
62	D	90.9	Very high	95	Very high	151 Å²	151	58.6 Å²	58.6	81%	0.807	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	40	173.1	-49.2	-37.1	0	0	0	114.2	K64	D62-K64 VanDerWaalsContact C-N 3.29Å; D62-K64 PolarHBondContact O-N 2.99Å
63	G	93	Very high	95	Very high	53 Å²	53	59 Å²	59	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	9.4	-179.8	0	0	0	0	0	115.3	Y60 L61	Y60-G63 VanDerWaalsContact OH-C 3.3Å; Y60-G63 WeakPolarHBondContact OH-CA 3.26Å; Y60-G63 PolarHBondContact OH-O 3.17Å; L61-G63 PolarHBondContact O-N 3.46Å; L61-G63 VanDerWaalsContact O-N 3.11Å
64	K	95.1	Very high	95	Very high	127 Å²	127	59 Å²	59	55%	0.552	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.5	-179.4	60.1	177.8	179.8	-168.8	0	113.1	Y60 L61 D62 T66	Y60-K64 WeakPolarHBondContact CA-O 3.23Å; L61-K64 PolarHBondContact N-O 3.34Å; L61-K64 WeakPolarHBondContact O-CG 3.34Å; L61-K64 PolarHBondContact O-N 2.98Å; D62-K64 VanDerWaalsContact C-N 3.29Å; D62-K64 PolarHBondContact O-N 2.99Å; K64-T66 PolarHBondContact O-N 3.19Å
65	W	94.2	Very high	94.9	Very high	168 Å²	168	60.8 Å²	60.8	64%	0.636	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.2	167.4	-73.7	104.6	0	0	0	109.8	Y60 R95	Y60-W65 AromaticContact CD2-CD1 3.96Å; Y60-W65 AromaticContact CD2-CD2 3.89Å; Y60-W65 HydrophobicContact CD2-CD2 3.89Å; Y60-W65 AromaticContact CD2-CE2 3.85Å; Y60-W65 HydrophobicContact CD2-CE3 4.48Å; Y60-W65 AromaticContact CD2-CG 3.98Å; Y60-W65 HydrophobicContact CD2-CG 3.98Å; Y60-W65 HydrophobicContact CD2-CZ2 4.43Å; Y60-W65 AromaticContact CD2-NE1 3.87Å; W65-R95 HydrophobicContact CH2-CB 4.09Å; W65-R95 HydrophobicContact CZ3-CB 4.47Å
66	T	94.2	Very high	94.8	Very high	30 Å²	30	64.1 Å²	64.1	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.9	178.8	-59.2	0	0	0	0	109	E58 M59 K64 R68	E58-T66 WeakPolarHBondContact CA-O 3.01Å; M59-T66 PolarHBondContact N-O 3.24Å; M59-T66 PolarHBondContact O-N 3.12Å; K64-T66 PolarHBondContact O-N 3.19Å; T66-R68 HydrophobicContact CG2-CG 4.29Å
67	R	95	Very high	94.7	Very high	138 Å²	138	65.3 Å²	65.3	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.9	174.1	-171.5	-176.3	-78.2	166.8	-2.9	109.8	I56 Q57 E58 Y69	I56-R67 HydrophobicContact CG2-CG 3.61Å; Q57-R67 CarbonylContact O-C 3.55Å; Q57-R67 VanDerWaalsContact O-CA 3.29Å; Q57-R67 WeakPolarHBondContact O-CA 3.31Å; E58-R67 HydrophobicContact CG-CB 4.33Å; E58-R67 HydrophobicContact CG-CG 3.91Å; E58-R67 IonicContact OE1-CZ 3.08Å; E58-R67 IonicContact OE1-NE 2.78Å; E58-R67 PolarHBondContact OE1-NE 3.17Å; E58-R67 IonicContact OE1-NH2 2.65Å; E58-R67 PolarHBondContact OE1-NH2 3.07Å; R67-Y69 VanDerWaalsContact CD-CZ 3.46Å; R67-Y69 WeakPolarHBondContact CD-OH 3.06Å; R67-Y69 HydrophobicContact CG-CE2 3.82Å; R67-Y69 PolarHBondContact NH1-OH 2.03Å
68	R	95.7	Very high	94.6	Very high	72 Å²	72	67 Å²	67	27%	0.272	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.9	177.3	-65.5	179.3	-179.6	159.4	-1.3	110.3	S22 I56 Q57 T66	S22-R68 WeakPolarHBondContact OG-CA 3.5Å; I56-R68 CarbonylContact C-O 3.59Å; I56-R68 WeakPolarHBondContact CA-O 2.99Å; Q57-R68 PolarHBondContact N-O 3.02Å; Q57-R68 PolarHBondContact O-N 3.49Å; T66-R68 HydrophobicContact CG2-CG 4.29Å
69	Y	96.7	Very high	94.4	Very high	17 Å²	17	67 Å²	67	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	177.4	-61.2	-99	0	0	0	109.4	S22 A29 D30 M55 I56 R67	S22-Y69 WeakPolarHBondContact CB-O 3.37Å; S22-Y69 PolarHBondContact N-O 3.07Å; S22-Y69 PolarHBondContact OG-N 2.97Å; S22-Y69 PolarHBondContact OG-O 2.93Å; A29-Y69 HydrophobicContact CB-CD2 3.74Å; A29-Y69 HydrophobicContact CB-CE2 3.97Å; D30-Y69 HydrophobicContact CB-CE1 3.85Å; D30-Y69 WeakPolarHBondContact OD2-CE1 3.44Å; M55-Y69 WeakPolarHBondContact O-CA 3.03Å; I56-Y69 HydrophobicContact CB-CE1 4.46Å; I56-Y69 HydrophobicContact CD1-CD1 4.4Å; I56-Y69 HydrophobicContact CD1-CE1 3.91Å; I56-Y69 HydrophobicContact CG1-CD1 3.81Å; I56-Y69 HydrophobicContact CG1-CE1 3.78Å; I56-Y69 HydrophobicContact CG2-CD1 4.32Å; I56-Y69 HydrophobicContact CG2-CE1 3.97Å; R67-Y69 VanDerWaalsContact CD-CZ 3.46Å; R67-Y69 WeakPolarHBondContact CD-OH 3.06Å; R67-Y69 HydrophobicContact CG-CE2 3.82Å; R67-Y69 PolarHBondContact NH1-OH 2.03Å
70	Y	97.1	Very high	94	Very high	82 Å²	82	67 Å²	67	32%	0.322	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131	172.3	179.1	-97.9	0	0	0	108.1	N21 K54 M55 D72	N21-Y70 HydrophobicContact CB-CD2 4.13Å; K54-Y70 CarbonylContact C-O 3.55Å; M55-Y70 HydrophobicContact CE-CD1 4.26Å; M55-Y70 HydrophobicContact CE-CG 4.24Å; M55-Y70 PolarHBondContact N-O 2.03Å; M55-Y70 PolarHBondContact O-N 3.43Å; Y70-D72 HydrophobicContact CD1-CB 4.3Å; Y70-D72 HydrophobicContact CE1-CB 3.44Å; Y70-D72 VanDerWaalsContact CE1-CB 3.44Å; Y70-D72 PolarHBondContact OH-OD2 3Å
71	R	97.1	Very high	93.8	Very high	1 Å²	1	65.5 Å²	65.5	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.8	176.7	-76.5	179.4	-165.1	73.8	-7.8	108.7	Y18 Q19 C20 C28 D30 F32 V53 K54 N110	Y18-R71 CarbonylContact O-C 3.56Å; Y18-R71 VanDerWaalsContact O-C 3.28Å; Y18-R71 WeakPolarHBondContact O-CB 3.5Å; Q19-R71 CarbonylContact C-O 3.59Å; Q19-R71 VanDerWaalsContact CA-O 3.26Å; Q19-R71 WeakPolarHBondContact CA-O 3.46Å; C20-R71 PolarHBondContact N-O 3.21Å; C20-R71 PolarHBondContact O-N 2.87Å; C28-R71 PolarHBondContact O-NH1 3.1Å; C28-R71 PolarHBondContact O-NH2 3.46Å; C28-R71 PolarHBondContact SG-NH1 2.78Å; D30-R71 IonicContact OD1-NH2 3.2Å; D30-R71 PolarHBondContact OD1-NH2 3.05Å; F32-R71 VanDerWaalsContact CD2-CZ 3.46Å; V53-R71 VanDerWaalsContact O-CA 3.31Å; V53-R71 WeakPolarHBondContact O-CA 3.42Å; K54-R71 HydrophobicContact CB-CG 4.08Å; K54-R71 HydrophobicContact CG-CG 3.95Å; R71-N110 WeakPolarHBondContact CD-O 3.26Å; R71-N110 PolarHBondContact NE-O 2.83Å
72	D	96.8	Very high	93.5	Very high	32 Å²	32	67.6 Å²	67.6	17%	0.171	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	178.5	-179.7	-155.5	-5.3	0	0	0	112	Y18 V53 Y70	Y18-D72 PolarHBondContact O-N 2.8Å; V53-D72 HydrophobicContact CG1-CB 4.21Å; V53-D72 WeakPolarHBondContact CG1-O 3.3Å; V53-D72 PolarHBondContact N-O 3.21Å; V53-D72 PolarHBondContact O-N 3.34Å; V53-D72 VanDerWaalsContact O-N 3.1Å; Y70-D72 HydrophobicContact CD1-CB 4.3Å; Y70-D72 HydrophobicContact CE1-CB 3.44Å; Y70-D72 VanDerWaalsContact CE1-CB 3.44Å; Y70-D72 PolarHBondContact OH-OD2 3Å
73	C	95.8	Very high	93.1	Very high	8 Å²	8	65.2 Å²	65.2	5%	0.054	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	146.9	162.3	-61.7	0	0	0	0	111.1	C42 Y49	C42-C73 WeakPolarHBondContact CA-SG 3.4Å; C42-C73 HydrophobicContact CB-CB 3.7Å; C42-C73 WeakPolarHBondContact CB-SG 3.26Å; C42-C73 WeakPolarHBondContact SG-CB 3.23Å; C42-C73 CovalentContact SG-SG 2.03Å; C42-C73 PolarHBondContact SG-SG 2.8Å; Y49-C73 HydrophobicContact CD1-CB 3.4Å; Y49-C73 HydrophobicContact CE1-CB 3.84Å; Y49-C73 HydrophobicContact CG-CB 4.05Å
74	A	95.2	Very high	92.5	Very high	14 Å²	14	63.1 Å²	63.1	12%	0.116	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.2	178.9	0	0	0	0	0	112.5	S50 R51 V53	S50-A74 PolarHBondContact N-O 2.87Å; R51-A74 HydrophobicContact CG-CB 3.93Å; R51-A74 PolarHBondContact N-O 2.03Å; R51-A74 PolarHBondContact O-N 3.04Å; V53-A74 HydrophobicContact CB-CB 4.06Å; V53-A74 HydrophobicContact CG1-CB 3.97Å
75	V	94.1	Very high	91.9	Very high	55 Å²	55	64.9 Å²	64.9	33%	0.333	33%	0.332	S	S	.	.	S	Bend	trans	-86.9	-34.1	175.7	-179	0	0	0	0	110.9	R47 Y49 S50 R51	R47-V75 HydrophobicContact CB-CG2 3.78Å; Y49-V75 HydrophobicContact CD1-CG2 3.79Å; Y49-V75 HydrophobicContact CE1-CG2 3.89Å; Y49-V75 HydrophobicContact CG-CG2 4.22Å; S50-V75 PolarHBondContact OG-O 2.72Å; R51-V75 PolarHBondContact NH1-O 3.5Å
76	T	93.7	Very high	91.7	Very high	112 Å²	112	64.3 Å²	64.3	69%	0.687	33%	0.33	S	S	*	.	S	Bend	trans	-124.4	174.1	-179.1	60.9	0	0	0	0	110.8	R51	R51-T76 PolarHBondContact NH1-O 3.31Å
77	G	92.8	Very high	91.6	Very high	40 Å²	40	65 Å²	65	41%	0.412	34%	0.335	S	S	.	.			trans	119.7	143.6	-179.3	0	0	0	0	0	112.8	R51	R51-G77 PolarHBondContact NE-O 3.29Å
78	V	93.4	Very high	91.5	Very high	90 Å²	90	61.1 Å²	61.1	55%	0.545	32%	0.324	S	S	.	.			trans	-81.4	127.5	179.7	178.5	0	0	0	0	108.8	G80 I88 N102	V78-G80 PolarHBondContact O-N 2.96Å; V78-I88 HydrophobicContact CB-CD1 3.57Å; V78-I88 HydrophobicContact CG1-CD1 3.7Å; V78-I88 HydrophobicContact CG2-CD1 4.46Å; V78-N102 WeakPolarHBondContact O-CB 3.38Å; V78-N102 PolarHBondContact O-ND2 3.32Å
79	I	92.3	Very high	91.5	Very high	49 Å²	49	60.8 Å²	60.8	25%	0.251	33%	0.328	S	S	.	.			trans	-74	119.7	167.7	-53.9	-64.1	0	0	0	106.8	R51 N102 N104	R51-I79 HydrophobicContact CB-CD1 3.93Å; R51-I79 HydrophobicContact CG-CD1 4.38Å; I79-N102 HydrophobicContact CD1-CB 3.92Å; I79-N104 HydrophobicContact CD1-CB 4.19Å
80	G	87.5	Confident	91.3	Very high	13 Å²	13	67.2 Å²	67.2	13%	0.134	35%	0.352	C	S	.	.			trans	-68.4	174	177.7	0	0	0	0	0	112.5	V78 G84 W86	V78-G80 PolarHBondContact O-N 2.96Å; G80-G84 PolarHBondContact O-N 3.49Å; G80-W86 WeakPolarHBondContact CA-O 3.49Å
81	A	87.5	Confident	91.2	Very high	64 Å²	64	70.2 Å²	70.2	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-54.1	157.4	174.6	0	0	0	0	0	111.7	D83 G84 R85 W86	A81-D83 PolarHBondContact O-N 2.85Å; A81-G84 PolarHBondContact O-N 3.45Å; A81-R85 PolarHBondContact O-N 3.09Å; A81-W86 HydrophobicContact CB-CB 4.29Å; A81-W86 HydrophobicContact CB-CG 4.18Å; A81-W86 PolarHBondContact O-N 3.04Å
82	E	86.3	Confident	90.7	Very high	103 Å²	103	72.5 Å²	72.5	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	52.5	53.6	-177.7	-60.9	172.8	-140.8	0	0	112.4	G84 R85 W86	E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.82Å; E82-R85 HydrophobicContact CB-CB 3.99Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 PolarHBondContact O-N 3.3Å; E82-R85 VanDerWaalsContact O-N 3.13Å; E82-R85 VanDerWaalsContact OE2-CD 3.29Å; E82-R85 WeakPolarHBondContact OE2-CD 3.47Å; E82-R85 IonicContact OE2-CZ 2.68Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 IonicContact OE2-NH1 3.36Å; E82-R85 PolarHBondContact OE2-NH1 3.43Å; E82-W86 PolarHBondContact OE1-NE1 3.46Å
83	D	82.1	Confident	90.2	Very high	102 Å²	102	76.1 Å²	76.1	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	55.6	36	177.3	-57.9	-34.2	0	0	0	114.9	A81 N105	A81-D83 PolarHBondContact O-N 2.85Å; D83-N105 HydrophobicContact CB-CB 3.98Å
84	G	80.1	Confident	89.7	Confident	8 Å²	8	85.9 Å²	85.9	8%	0.082	46%	0.457	C	S	.	.	H	α-helix	trans	88.5	9.5	178.7	0	0	0	0	0	115.1	G80 A81 E82 W86 N102	G80-G84 PolarHBondContact O-N 3.49Å; A81-G84 PolarHBondContact O-N 3.45Å; E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.82Å; G84-W86 PolarHBondContact O-N 3.47Å; G84-N102 WeakPolarHBondContact CA-O 3.45Å
85	R	83	Confident	89.4	Confident	164 Å²	164	93.3 Å²	93.3	62%	0.619	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-37.1	171.2	-175.5	-177.9	-67.9	178.1	-8.8	111.4	A81 E82	A81-R85 PolarHBondContact O-N 3.09Å; E82-R85 HydrophobicContact CB-CB 3.99Å; E82-R85 WeakPolarHBondContact O-CB 3.5Å; E82-R85 PolarHBondContact O-N 3.3Å; E82-R85 VanDerWaalsContact O-N 3.13Å; E82-R85 VanDerWaalsContact OE2-CD 3.29Å; E82-R85 WeakPolarHBondContact OE2-CD 3.47Å; E82-R85 IonicContact OE2-CZ 2.68Å; E82-R85 IonicContact OE2-NE 2.78Å; E82-R85 IonicContact OE2-NH1 3.36Å; E82-R85 PolarHBondContact OE2-NH1 3.43Å
86	W	88.4	Confident	89.3	Confident	156 Å²	156	92.4 Å²	92.4	59%	0.591	48%	0.477	S	S	*	.	S	Bend	trans	-85.2	125.6	177.1	-68.2	94	0	0	0	110.7	G80 A81 E82 G84	G80-W86 WeakPolarHBondContact CA-O 3.49Å; A81-W86 HydrophobicContact CB-CB 4.29Å; A81-W86 HydrophobicContact CB-CG 4.18Å; A81-W86 PolarHBondContact O-N 3.04Å; E82-W86 PolarHBondContact OE1-NE1 3.46Å; G84-W86 PolarHBondContact O-N 3.47Å
87	C	93.3	Very high	89.4	Confident	44 Å²	44	89.9 Å²	89.9	30%	0.297	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-93.8	152.2	179	-47.3	0	0	0	0	111.2	R99 Y100 C101	C87-R99 HydrophobicContact CB-CG 3.33Å; C87-Y100 CarbonylContact C-O 3.6Å; C87-Y100 VanDerWaalsContact CA-O 3.3Å; C87-Y100 WeakPolarHBondContact CA-O 3.49Å; C87-Y100 WeakPolarHBondContact CB-O 3.36Å; C87-C101 HydrophobicContact CB-CB 3.96Å; C87-C101 WeakPolarHBondContact CB-SG 3.44Å; C87-C101 WeakPolarHBondContact SG-CB 3.25Å; C87-C101 CovalentContact SG-SG 2.03Å; C87-C101 PolarHBondContact SG-SG 3.39Å
88	I	93.3	Very high	89.6	Confident	58 Å²	58	88.9 Å²	88.9	30%	0.297	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.2	177.9	-61.6	167.6	0	0	0	109.1	V78 R99 Y100	V78-I88 HydrophobicContact CB-CD1 3.57Å; V78-I88 HydrophobicContact CG1-CD1 3.7Å; V78-I88 HydrophobicContact CG2-CD1 4.46Å; I88-R99 WeakPolarHBondContact O-CA 3.3Å; I88-Y100 PolarHBondContact N-O 3.07Å; I88-Y100 PolarHBondContact O-N 2.89Å
89	D	94.3	Very high	89.7	Confident	64 Å²	64	89 Å²	89	34%	0.342	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.2	174.7	-74.2	-12	0	0	0	110.6	K97 R99	D89-K97 WeakPolarHBondContact OD2-CE 3.43Å; D89-K97 IonicContact OD2-NZ 2.81Å; D89-K97 PolarHBondContact OD2-NZ 3.32Å; D89-R99 VanDerWaalsContact OD1-CB 3.22Å; D89-R99 WeakPolarHBondContact OD1-CB 3.37Å; D89-R99 VanDerWaalsContact OD1-CG 3.26Å; D89-R99 WeakPolarHBondContact OD1-CG 3.42Å; D89-R99 IonicContact OD1-CZ 3.86Å; D89-R99 IonicContact OD1-NE 3.45Å; D89-R99 PolarHBondContact OD1-NE 3.43Å; D89-R99 IonicContact OD1-NH2 3.57Å; D89-R99 PolarHBondContact OD1-NH2 3.04Å; D89-R99 IonicContact OD2-CZ 2.89Å; D89-R99 IonicContact OD2-NE 3.65Å; D89-R99 IonicContact OD2-NH2 3.65Å; D89-R99 PolarHBondContact OD2-NH2 3.27Å
90	R	93.8	Very high	89.8	Confident	153 Å²	153	90.1 Å²	90.1	58%	0.577	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	170.3	-63.1	-170.4	-178.9	-106.7	-0.8	108.5	V98 Y100	R90-V98 PolarHBondContact N-O 3.47Å; R90-V98 PolarHBondContact O-N 2.9Å; R90-Y100 HydrophobicContact CB-CE2 4.36Å; R90-Y100 HydrophobicContact CG-CD2 4.21Å; R90-Y100 HydrophobicContact CG-CE2 4.17Å
91	L	93.6	Very high	90.2	Very high	145 Å²	145	90.1 Å²	90.1	76%	0.759	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	174	-59.3	177.2	0	0	0	108.3	K97	L91-K97 HydrophobicContact CD2-CB 4.19Å; L91-K97 HydrophobicContact CD2-CD 4.11Å; L91-K97 HydrophobicContact CD2-CG 3.96Å
92	G	87.2	Confident	90.5	Very high	48 Å²	48	87.5 Å²	87.5	50%	0.495	41%	0.409	S	S	.	.			trans	-99.2	-175	173.3	0	0	0	0	0	111.8	V96	G92-V96 WeakPolarHBondContact CA-O 3.05Å; G92-V96 PolarHBondContact N-O 3.49Å
93	T	87.4	Confident	90.8	Very high	109 Å²	109	83 Å²	83	67%	0.669	39%	0.388	S	S	*	.	S	Bend	trans	-76	167.1	168.7	52.4	0	0	0	0	110.6	R95 V96	T93-R95 PolarHBondContact O-N 3.29Å; T93-V96 WeakPolarHBondContact O-CB 3.44Å; T93-V96 WeakPolarHBondContact O-CG2 3.06Å; T93-V96 PolarHBondContact O-N 2.9Å
94	Y	84.8	Confident	91.3	Very high	212 Å²	212	80.3 Å²	80.3	83%	0.831	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	42.2	172.1	-57.4	-78.5	0	0	0	116	V96	Y94-V96 PolarHBondContact O-N 3.02Å
95	R	88.1	Confident	91.6	Very high	170 Å²	170	82.8 Å²	82.8	64%	0.642	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	32.8	178.4	-54.8	179	179.1	177.7	-0.7	113.2	W65 T93	W65-R95 HydrophobicContact CH2-CB 4.09Å; W65-R95 HydrophobicContact CZ3-CB 4.47Å; T93-R95 PolarHBondContact O-N 3.29Å
96	V	93	Very high	91.9	Very high	37 Å²	37	79.4 Å²	79.4	22%	0.224	38%	0.375	C	S	.	.			trans	-97.1	127.6	172	-177.9	0	0	0	0	109.3	Q57 E58 M59 G92 T93 Y94 V98	Q57-V96 HydrophobicContact CG-CG1 4.32Å; E58-V96 CarbonylContact O-C 3.5Å; E58-V96 WeakPolarHBondContact O-CA 3.45Å; M59-V96 HydrophobicContact CB-CG2 4.08Å; G92-V96 WeakPolarHBondContact CA-O 3.05Å; G92-V96 PolarHBondContact N-O 3.49Å; T93-V96 WeakPolarHBondContact O-CB 3.44Å; T93-V96 WeakPolarHBondContact O-CG2 3.06Å; T93-V96 PolarHBondContact O-N 2.9Å; Y94-V96 PolarHBondContact O-N 3.02Å; V96-V98 HydrophobicContact CG1-CG2 4.09Å
97	K	96	Very high	92.1	Very high	59 Å²	59	73.8 Å²	73.8	26%	0.257	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.3	171	175.7	176.3	-178.1	179.1	0	108.8	E58 D89 L91	E58-K97 HydrophobicContact CB-CB 4.37Å; E58-K97 PolarHBondContact N-O 3.31Å; E58-K97 PolarHBondContact O-N 3.05Å; D89-K97 WeakPolarHBondContact OD2-CE 3.43Å; D89-K97 IonicContact OD2-NZ 2.81Å; D89-K97 PolarHBondContact OD2-NZ 3.32Å; L91-K97 HydrophobicContact CD2-CB 4.19Å; L91-K97 HydrophobicContact CD2-CD 4.11Å; L91-K97 HydrophobicContact CD2-CG 3.96Å
98	V	95.9	Very high	92	Very high	18 Å²	18	71.9 Å²	71.9	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.9	177	-168.3	0	0	0	0	109.8	M55 I56 Q57 R90 V96 Y100	M55-V98 HydrophobicContact CG-CG1 3.44Å; M55-V98 VanDerWaalsContact CG-CG1 3.44Å; M55-V98 HydrophobicContact SD-CG1 3.75Å; I56-V98 CarbonylContact O-C 3.55Å; I56-V98 WeakPolarHBondContact O-CA 3.23Å; Q57-V98 HydrophobicContact CG-CG2 4.19Å; R90-V98 PolarHBondContact N-O 3.47Å; R90-V98 PolarHBondContact O-N 2.9Å; V96-V98 HydrophobicContact CG1-CG2 4.09Å; V98-Y100 HydrophobicContact CB-CE2 3.84Å; V98-Y100 HydrophobicContact CG1-CD2 4.03Å; V98-Y100 HydrophobicContact CG1-CE1 4.17Å; V98-Y100 HydrophobicContact CG1-CE2 3.4Å; V98-Y100 VanDerWaalsContact CG1-CE2 3.4Å; V98-Y100 VanDerWaalsContact CG1-CZ 3.5Å
99	R	95.4	Very high	91.9	Very high	92 Å²	92	70.1 Å²	70.1	35%	0.347	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.5	175.7	175.5	172.3	-72	175.3	-1.4	109.4	M55 I56 C87 I88 D89	M55-R99 WeakPolarHBondContact CA-O 3.37Å; I56-R99 HydrophobicContact CB-CB 4.21Å; I56-R99 PolarHBondContact N-O 2.9Å; I56-R99 PolarHBondContact O-N 3.01Å; C87-R99 HydrophobicContact CB-CG 3.33Å; I88-R99 WeakPolarHBondContact O-CA 3.3Å; D89-R99 VanDerWaalsContact OD1-CB 3.22Å; D89-R99 WeakPolarHBondContact OD1-CB 3.37Å; D89-R99 VanDerWaalsContact OD1-CG 3.26Å; D89-R99 WeakPolarHBondContact OD1-CG 3.42Å; D89-R99 IonicContact OD1-CZ 3.86Å; D89-R99 IonicContact OD1-NE 3.45Å; D89-R99 PolarHBondContact OD1-NE 3.43Å; D89-R99 IonicContact OD1-NH2 3.57Å; D89-R99 PolarHBondContact OD1-NH2 3.04Å; D89-R99 IonicContact OD2-CZ 2.89Å; D89-R99 IonicContact OD2-NE 3.65Å; D89-R99 IonicContact OD2-NH2 3.65Å; D89-R99 PolarHBondContact OD2-NH2 3.27Å
100	Y	95.6	Very high	91.9	Very high	74 Å²	74	67.2 Å²	67.2	29%	0.29	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.2	178.5	-65.3	-88.8	0	0	0	110.3	V53 M55 C87 I88 R90 V98	V53-Y100 HydrophobicContact CG2-CD1 4.36Å; M55-Y100 HydrophobicContact CB-CD1 4.41Å; M55-Y100 HydrophobicContact CB-CE1 4.48Å; M55-Y100 HydrophobicContact CG-CD1 4.17Å; M55-Y100 HydrophobicContact CG-CE1 3.9Å; M55-Y100 HydrophobicContact SD-CD1 4.44Å; M55-Y100 HydrophobicContact SD-CE1 3.63Å; C87-Y100 CarbonylContact C-O 3.6Å; C87-Y100 VanDerWaalsContact CA-O 3.3Å; C87-Y100 WeakPolarHBondContact CA-O 3.49Å; C87-Y100 WeakPolarHBondContact CB-O 3.36Å; I88-Y100 PolarHBondContact N-O 3.07Å; I88-Y100 PolarHBondContact O-N 2.89Å; R90-Y100 HydrophobicContact CB-CE2 4.36Å; R90-Y100 HydrophobicContact CG-CD2 4.21Å; R90-Y100 HydrophobicContact CG-CE2 4.17Å; V98-Y100 HydrophobicContact CB-CE2 3.84Å; V98-Y100 HydrophobicContact CG1-CD2 4.03Å; V98-Y100 HydrophobicContact CG1-CE1 4.17Å; V98-Y100 HydrophobicContact CG1-CE2 3.4Å; V98-Y100 VanDerWaalsContact CG1-CE2 3.4Å; V98-Y100 VanDerWaalsContact CG1-CZ 3.5Å
101	C	94.8	Very high	91.7	Very high	13 Å²	13	61 Å²	61	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	98.5	172.5	-44.5	0	0	0	0	107.8	V53 K54 C87	V53-C101 WeakPolarHBondContact CA-O 2.96Å; K54-C101 HydrophobicContact CB-CB 4.18Å; K54-C101 PolarHBondContact N-O 3.24Å; K54-C101 PolarHBondContact O-N 2.78Å; C87-C101 HydrophobicContact CB-CB 3.96Å; C87-C101 WeakPolarHBondContact CB-SG 3.44Å; C87-C101 WeakPolarHBondContact SG-CB 3.25Å; C87-C101 CovalentContact SG-SG 2.03Å; C87-C101 PolarHBondContact SG-SG 3.39Å
102	N	94.7	Very high	90.9	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.8	177.3	-54.5	-69.6	0	0	0	110	C52 V53 V78 I79 G84	C52-N102 WeakPolarHBondContact O-CA 3.27Å; V53-N102 WeakPolarHBondContact CB-OD1 3.34Å; V53-N102 VanDerWaalsContact CG2-OD1 3.27Å; V53-N102 WeakPolarHBondContact CG2-OD1 3.18Å; V78-N102 WeakPolarHBondContact O-CB 3.38Å; V78-N102 PolarHBondContact O-ND2 3.32Å; I79-N102 HydrophobicContact CD1-CB 3.92Å; G84-N102 WeakPolarHBondContact CA-O 3.45Å
103	C	92.8	Very high	89.8	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.6	-178.7	58.9	0	0	0	0	110.8	R51 C52 C109 N110	R51-C103 CarbonylContact C-O 3.28Å; R51-C103 WeakPolarHBondContact CA-O 3.49Å; R51-C103 VanDerWaalsContact CB-O 3.27Å; R51-C103 WeakPolarHBondContact CB-O 3.4Å; C52-C103 PolarHBondContact N-O 3.02Å; C52-C103 PolarHBondContact O-N 3.36Å; C103-C109 HydrophobicContact CB-CB 3.73Å; C103-C109 WeakPolarHBondContact CB-SG 2.98Å; C103-C109 PolarHBondContact O-SG 2.89Å; C103-C109 WeakPolarHBondContact SG-CB 3.21Å; C103-C109 PolarHBondContact SG-O 2.82Å; C103-C109 VanDerWaalsContact SG-O 3.4Å; C103-C109 CovalentContact SG-SG 2.03Å; C103-C109 PolarHBondContact SG-SG 3.42Å; C103-N110 PolarHBondContact SG-N 3.48Å; C103-N110 VanDerWaalsContact SG-N 3.35Å
104	N	91.4	Very high	88.4	Confident	47 Å²	47	55.8 Å²	55.8	25%	0.251	26%	0.263	S	S	.	.			trans	-145.1	19	-179.5	65.2	-20.7	0	0	0	113	I11 S50 R51 I79	I11-N104 WeakPolarHBondContact CG1-O 3.1Å; S50-N104 WeakPolarHBondContact O-CB 3.08Å; R51-N104 HydrophobicContact CB-CB 3.92Å; I79-N104 HydrophobicContact CD1-CB 4.19Å
105	N	86	Confident	87.1	Confident	60 Å²	60	53.2 Å²	53.2	32%	0.321	26%	0.263	S	S	.	.	S	Bend	trans	-84.2	-21.9	-176.5	57.8	-8.2	0	0	0	114.1	D83 C109	D83-N105 HydrophobicContact CB-CB 3.98Å; N105-C109 WeakPolarHBondContact OD1-CB 3.24Å
106	K	89.7	Confident	85.6	Confident	92 Å²	92	51.1 Å²	51.1	40%	0.4	27%	0.27	S	S	.	.	S	Bend	trans	-160.6	162.7	177.9	62.8	179.2	-178.1	-179.2	0	112.1	G108 C109	K106-G108 PolarHBondContact O-N 3.17Å; K106-C109 HydrophobicContact CG-CB 3.8Å; K106-C109 VanDerWaalsContact O-CB 3.3Å; K106-C109 WeakPolarHBondContact O-CB 3.03Å; K106-C109 PolarHBondContact O-N 3.2Å
107	N	92.5	Very high	84.1	Confident	39 Å²	39	54.5 Å²	54.5	21%	0.209	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.1	166.6	-73	-33.8	0	0	0	110.6	R16 C109	R16-N107 HydrophobicContact CB-CB 4.33Å; R16-N107 PolarHBondContact N-OD1 3.1Å; R16-N107 CarbonylContact O-C 3.57Å; R16-N107 WeakPolarHBondContact O-CA 3.48Å; N107-C109 PolarHBondContact O-N 2.95Å
108	G	92.4	Very high	82.8	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	20.8	179.7	0	0	0	0	0	114.9	R16 Y18 K106 N110 S111	R16-G108 PolarHBondContact O-N 2.95Å; Y18-G108 WeakPolarHBondContact CE2-O 3.44Å; K106-G108 PolarHBondContact O-N 3.17Å; G108-N110 PolarHBondContact O-N 3.35Å; G108-N110 VanDerWaalsContact O-N 3.14Å; G108-S111 PolarHBondContact O-N 3.14Å
109	C	91.6	Very high	81.7	Confident	20 Å²	20	58.3 Å²	58.3	14%	0.135	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.3	179.5	67	0	0	0	0	113.3	C103 N105 K106 N107 S111	C103-C109 HydrophobicContact CB-CB 3.73Å; C103-C109 WeakPolarHBondContact CB-SG 2.98Å; C103-C109 PolarHBondContact O-SG 2.89Å; C103-C109 WeakPolarHBondContact SG-CB 3.21Å; C103-C109 PolarHBondContact SG-O 2.82Å; C103-C109 VanDerWaalsContact SG-O 3.4Å; C103-C109 CovalentContact SG-SG 2.03Å; C103-C109 PolarHBondContact SG-SG 3.42Å; N105-C109 WeakPolarHBondContact OD1-CB 3.24Å; K106-C109 HydrophobicContact CG-CB 3.8Å; K106-C109 VanDerWaalsContact O-CB 3.3Å; K106-C109 WeakPolarHBondContact O-CB 3.03Å; K106-C109 PolarHBondContact O-N 3.2Å; N107-C109 PolarHBondContact O-N 2.95Å; C109-S111 PolarHBondContact O-N 2.86Å
110	N	93.8	Very high	80.8	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	17.1	176.6	68.2	-23.9	0	0	0	113.9	Y18 C52 V53 K54 R71 C103 G108	Y18-N110 WeakPolarHBondContact CD2-OD1 3.42Å; Y18-N110 PolarHBondContact N-OD1 2.83Å; Y18-N110 VanDerWaalsContact N-OD1 3.12Å; Y18-N110 PolarHBondContact O-ND2 2.81Å; C52-N110 HydrophobicContact CB-CB 3.61Å; V53-N110 PolarHBondContact O-ND2 3.31Å; K54-N110 HydrophobicContact CB-CB 4.27Å; R71-N110 WeakPolarHBondContact CD-O 3.26Å; R71-N110 PolarHBondContact NE-O 2.83Å; C103-N110 PolarHBondContact SG-N 3.48Å; C103-N110 VanDerWaalsContact SG-N 3.35Å; G108-N110 PolarHBondContact O-N 3.35Å; G108-N110 VanDerWaalsContact O-N 3.14Å
111	S	89.5	Confident	79.8	Confident	23 Å²	23	58.2 Å²	58.2	16%	0.161	34%	0.338	C	S	.	.	S	Bend	trans	-61.9	175.2	166.9	69.2	0	0	0	0	111.7	N34 G108 C109	N34-S111 WeakPolarHBondContact OD1-CB 3.26Å; G108-S111 PolarHBondContact O-N 3.14Å; C109-S111 PolarHBondContact O-N 2.86Å
112	S	75.5	Confident	78.8	Confident	13 Å²	13	62.6 Å²	62.6	9%	0.091	36%	0.357	C	S	.	.			trans	-68.5	148.3	163.6	-151.2	0	0	0	0	110.2	D30 L114	D30-S112 VanDerWaalsContact CG-OG 3.31Å; D30-S112 WeakPolarHBondContact OD1-CB 3.38Å; D30-S112 PolarHBondContact OD1-OG 2.86Å; S112-L114 PolarHBondContact O-N 2.96Å
113	T	65.3	Low	78.4	Confident	94 Å²	94	69.8 Å²	69.8	58%	0.577	39%	0.385	S	S	*	.			trans	-72.4	105.4	166.2	-46.5	0	0	0	0	106.2	L115	T113-L115 PolarHBondContact O-N 3.18Å
114	L	57.5	Low	78	Confident	85 Å²	85	73.3 Å²	73.3	45%	0.445	41%	0.407	S	S	.	.			trans	-62.5	114.7	163.9	-77.5	93.6	0	0	0	106.6	Y31 S112 T116	Y31-L114 HydrophobicContact CE2-CG 4.4Å; Y31-L114 WeakPolarHBondContact OH-CD2 3.18Å; Y31-L114 WeakPolarHBondContact OH-CG 3.06Å; S112-L114 PolarHBondContact O-N 2.96Å; L114-T116 PolarHBondContact O-N 2.03Å
115	L	58.1	Low	77.8	Confident	159 Å²	159	77.6 Å²	77.6	83%	0.832	42%	0.423	S	S	*	.			trans	-64.6	91.1	161.9	-78	159.9	0	0	0	106.4	T113 V117	T113-L115 PolarHBondContact O-N 3.18Å; L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.29Å
116	T	57.1	Low	78	Confident	126 Å²	126	78.7 Å²	78.7	77%	0.773	43%	0.428	S	S	*	.			trans	-70.8	93.2	169.1	50.2	0	0	0	0	107	L114 S118	L114-T116 PolarHBondContact O-N 2.03Å; T116-S118 PolarHBondContact O-N 3.4Å
117	V	61.1	Low	78	Confident	108 Å²	108	80.8 Å²	80.8	66%	0.655	44%	0.437	S	S	*	.			trans	-66.1	116	166.5	179.7	0	0	0	0	106.3	L115 T119	L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.29Å; V117-T119 PolarHBondContact O-N 3.35Å
118	S	67.7	Low	77.9	Confident	57 Å²	57	82.1 Å²	82.1	40%	0.399	45%	0.447	S	S	.	.			trans	-62.7	124.7	176.1	-175.6	0	0	0	0	108.7	T116 T120 T121 H122	T116-S118 PolarHBondContact O-N 3.4Å; S118-T120 PolarHBondContact O-N 3.46Å; S118-T120 VanDerWaalsContact O-N 3.14Å; S118-T120 PolarHBondContact OG-OG1 3.23Å; S118-T121 PolarHBondContact O-N 3.13Å; S118-T121 PolarHBondContact O-OG1 3.21Å; S118-H122 PolarHBondContact O-N 2.86Å
119	T	73.5	Confident	77.9	Confident	99 Å²	99	85.5 Å²	85.5	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-55.2	-33.8	177	47	0	0	0	0	111.3	V117 T121 H122 Y123	V117-T119 PolarHBondContact O-N 3.35Å; T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 3.36Å; T119-H122 PolarHBondContact O-N 3.42Å; T119-Y123 WeakPolarHBondContact O-CD2 3.39Å; T119-Y123 PolarHBondContact O-N 2.98Å; T119-Y123 VanDerWaalsContact O-N 3.11Å
120	T	77.4	Confident	77.8	Confident	89 Å²	89	86.8 Å²	86.8	55%	0.546	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-40.9	175.3	57.2	0	0	0	0	112.8	S118 H122 Y123 T124	S118-T120 PolarHBondContact O-N 3.46Å; S118-T120 VanDerWaalsContact O-N 3.14Å; S118-T120 PolarHBondContact OG-OG1 3.23Å; T120-H122 VanDerWaalsContact C-N 3.32Å; T120-H122 PolarHBondContact O-N 3.26Å; T120-Y123 PolarHBondContact O-N 3.4Å; T120-T124 WeakPolarHBondContact O-CG2 3.16Å; T120-T124 PolarHBondContact O-N 2.96Å; T120-T124 PolarHBondContact O-OG1 3.31Å
121	T	73.1	Confident	77.7	Confident	76 Å²	76	89.3 Å²	89.3	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-70.1	-29.8	179.1	58.6	0	0	0	0	112.8	S118 T119 T124 F125	S118-T121 PolarHBondContact O-N 3.13Å; S118-T121 PolarHBondContact O-OG1 3.21Å; T119-T121 VanDerWaalsContact C-N 3.34Å; T119-T121 PolarHBondContact O-N 3.36Å; T121-T124 WeakPolarHBondContact CA-OG1 3.39Å; T121-T124 PolarHBondContact O-OG1 2.91Å; T121-T124 VanDerWaalsContact O-OG1 3.13Å; T121-F125 WeakPolarHBondContact O-CB 3.3Å; T121-F125 PolarHBondContact O-N 2.7Å
122	H	75.1	Confident	77.7	Confident	105 Å²	105	95.4 Å²	95.4	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-70	-45.8	174.9	-174.1	60.1	0	0	0	111.1	S118 T119 T120 F125 I126	S118-H122 PolarHBondContact O-N 2.86Å; T119-H122 PolarHBondContact O-N 3.42Å; T120-H122 VanDerWaalsContact C-N 3.32Å; T120-H122 PolarHBondContact O-N 3.26Å; H122-F125 PolarHBondContact O-N 3.24Å; H122-I126 WeakPolarHBondContact NE2-CD1 3.06Å; H122-I126 WeakPolarHBondContact O-CG1 3.29Å; H122-I126 PolarHBondContact O-N 3.35Å
123	Y	85.9	Confident	78.5	Confident	159 Å²	159	102.3 Å²	102.3	62%	0.624	54%	0.538	S	S	*	.	H	α-helix	trans	-67.2	-38.4	178.3	-70.6	-63.1	0	0	0	113	T119 T120 F125 I126 F127	T119-Y123 WeakPolarHBondContact O-CD2 3.39Å; T119-Y123 PolarHBondContact O-N 2.98Å; T119-Y123 VanDerWaalsContact O-N 3.11Å; T120-Y123 PolarHBondContact O-N 3.4Å; Y123-F125 VanDerWaalsContact C-N 3.35Å; Y123-I126 PolarHBondContact O-N 3Å; Y123-F127 VanDerWaalsContact O-CB 3.26Å; Y123-F127 WeakPolarHBondContact O-CB 3.44Å; Y123-F127 PolarHBondContact O-N 3.42Å
124	T	84.5	Confident	79.6	Confident	82 Å²	82	102.1 Å²	102.1	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-38.2	176	55.6	0	0	0	0	111.9	T120 T121 F127 T128	T120-T124 WeakPolarHBondContact O-CG2 3.16Å; T120-T124 PolarHBondContact O-N 2.96Å; T120-T124 PolarHBondContact O-OG1 3.31Å; T121-T124 WeakPolarHBondContact CA-OG1 3.39Å; T121-T124 PolarHBondContact O-OG1 2.91Å; T121-T124 VanDerWaalsContact O-OG1 3.13Å; T124-F127 PolarHBondContact O-N 3.38Å; T124-T128 WeakPolarHBondContact O-CG2 3.27Å; T124-T128 PolarHBondContact O-N 3.47Å; T124-T128 PolarHBondContact O-OG1 3.14Å
125	F	87.1	Confident	81.2	Confident	136 Å²	136	105.6 Å²	105.6	60%	0.596	54%	0.541	S	S	*	.	H	α-helix	trans	-65.5	-44.3	175.3	-175.8	-99.1	0	0	0	112.3	T121 H122 Y123 F127 T128 V129	T121-F125 WeakPolarHBondContact O-CB 3.3Å; T121-F125 PolarHBondContact O-N 2.7Å; H122-F125 PolarHBondContact O-N 3.24Å; Y123-F125 VanDerWaalsContact C-N 3.35Å; F125-F127 VanDerWaalsContact C-N 3.32Å; F125-F127 PolarHBondContact O-N 3.11Å; F125-T128 PolarHBondContact O-N 3.22Å; F125-T128 PolarHBondContact O-OG1 2.72Å; F125-V129 HydrophobicContact CD1-CG2 4.27Å; F125-V129 HydrophobicContact CE1-CG2 3.91Å; F125-V129 HydrophobicContact CE2-CG2 4.27Å; F125-V129 HydrophobicContact CZ-CG2 3.91Å; F125-V129 WeakPolarHBondContact O-CB 3.08Å; F125-V129 VanDerWaalsContact O-CG2 3.25Å; F125-V129 WeakPolarHBondContact O-CG2 3.35Å; F125-V129 PolarHBondContact O-N 2.67Å
126	I	88.8	Confident	82.7	Confident	84 Å²	84	107.4 Å²	107.4	43%	0.431	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-43.7	175.2	-69.2	172.4	0	0	0	110.4	H122 Y123 V129 S130	H122-I126 WeakPolarHBondContact NE2-CD1 3.06Å; H122-I126 WeakPolarHBondContact O-CG1 3.29Å; H122-I126 PolarHBondContact O-N 3.35Å; Y123-I126 PolarHBondContact O-N 3Å; I126-V129 PolarHBondContact O-N 3.2Å; I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 3.15Å; I126-S130 PolarHBondContact O-OG 2.93Å
127	F	90.4	Very high	84.1	Confident	135 Å²	135	106 Å²	106	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-46.9	179.5	-174	-110.6	0	0	0	112	Y123 T124 F125 V129 S130 I131	Y123-F127 VanDerWaalsContact O-CB 3.26Å; Y123-F127 WeakPolarHBondContact O-CB 3.44Å; Y123-F127 PolarHBondContact O-N 3.42Å; T124-F127 PolarHBondContact O-N 3.38Å; F125-F127 VanDerWaalsContact C-N 3.32Å; F125-F127 PolarHBondContact O-N 3.11Å; F127-V129 PolarHBondContact O-N 3.23Å; F127-S130 WeakPolarHBondContact CA-OG 3.44Å; F127-S130 PolarHBondContact O-N 3.32Å; F127-S130 PolarHBondContact O-OG 2.89Å; F127-I131 HydrophobicContact CD1-CD1 3.68Å; F127-I131 HydrophobicContact CE1-CD1 3.22Å; F127-I131 HydrophobicContact CE1-CG1 4.33Å; F127-I131 HydrophobicContact CE2-CD1 4.12Å; F127-I131 HydrophobicContact CG-CD1 4.32Å; F127-I131 HydrophobicContact CZ-CD1 3.48Å; F127-I131 VanDerWaalsContact CZ-CD1 3.48Å; F127-I131 HydrophobicContact CZ-CG1 4.31Å; F127-I131 WeakPolarHBondContact O-CG1 3.44Å; F127-I131 PolarHBondContact O-N 2.86Å
128	T	90.8	Very high	85.1	Confident	67 Å²	67	107.1 Å²	107.1	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-40.8	177.7	55.6	0	0	0	0	112.2	T124 F125 I131 F132	T124-T128 WeakPolarHBondContact O-CG2 3.27Å; T124-T128 PolarHBondContact O-N 3.47Å; T124-T128 PolarHBondContact O-OG1 3.14Å; F125-T128 PolarHBondContact O-N 3.22Å; F125-T128 PolarHBondContact O-OG1 2.72Å; T128-I131 PolarHBondContact O-N 3.21Å; T128-F132 VanDerWaalsContact O-CD2 3.32Å; T128-F132 WeakPolarHBondContact O-CD2 3.42Å; T128-F132 PolarHBondContact O-N 3.13Å
129	V	91.5	Very high	85.4	Confident	75 Å²	75	113.6 Å²	113.6	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-62.1	-43.9	175.1	171.2	0	0	0	0	111.2	F125 I126 F127 I131 F132 Y133	F125-V129 HydrophobicContact CD1-CG2 4.27Å; F125-V129 HydrophobicContact CE1-CG2 3.91Å; F125-V129 HydrophobicContact CE2-CG2 4.27Å; F125-V129 HydrophobicContact CZ-CG2 3.91Å; F125-V129 WeakPolarHBondContact O-CB 3.08Å; F125-V129 VanDerWaalsContact O-CG2 3.25Å; F125-V129 WeakPolarHBondContact O-CG2 3.35Å; F125-V129 PolarHBondContact O-N 2.67Å; I126-V129 PolarHBondContact O-N 3.2Å; F127-V129 PolarHBondContact O-N 3.23Å; V129-I131 PolarHBondContact O-N 2.91Å; V129-F132 PolarHBondContact O-N 3.41Å; V129-Y133 WeakPolarHBondContact O-CB 3.23Å; V129-Y133 PolarHBondContact O-N 2.89Å
130	S	90.4	Very high	84.5	Confident	47 Å²	47	117.6 Å²	117.6	33%	0.329	57%	0.57	S	S	.	*	H	α-helix	trans	-62.8	-41.1	176.4	67.2	0	0	0	0	112.4	I126 F127 Y133 I134	I126-S130 WeakPolarHBondContact O-CB 3.48Å; I126-S130 PolarHBondContact O-N 3.15Å; I126-S130 PolarHBondContact O-OG 2.93Å; F127-S130 WeakPolarHBondContact CA-OG 3.44Å; F127-S130 PolarHBondContact O-N 3.32Å; F127-S130 PolarHBondContact O-OG 2.89Å; S130-Y133 PolarHBondContact O-N 3.22Å; S130-I134 WeakPolarHBondContact O-CB 3.42Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.32Å; S130-I134 PolarHBondContact O-N 3.02Å
131	I	90.8	Very high	84.8	Confident	57 Å²	57	119 Å²	119	29%	0.292	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-48	174.1	-76.2	178.3	0	0	0	111	F127 T128 V129 Y133 I134 Y135	F127-I131 HydrophobicContact CD1-CD1 3.68Å; F127-I131 HydrophobicContact CE1-CD1 3.22Å; F127-I131 HydrophobicContact CE1-CG1 4.33Å; F127-I131 HydrophobicContact CE2-CD1 4.12Å; F127-I131 HydrophobicContact CG-CD1 4.32Å; F127-I131 HydrophobicContact CZ-CD1 3.48Å; F127-I131 VanDerWaalsContact CZ-CD1 3.48Å; F127-I131 HydrophobicContact CZ-CG1 4.31Å; F127-I131 WeakPolarHBondContact O-CG1 3.44Å; F127-I131 PolarHBondContact O-N 2.86Å; T128-I131 PolarHBondContact O-N 3.21Å; V129-I131 PolarHBondContact O-N 2.91Å; I131-Y133 VanDerWaalsContact C-N 3.29Å; I131-Y133 PolarHBondContact O-N 3.49Å; I131-I134 PolarHBondContact O-N 2.94Å; I131-Y135 HydrophobicContact CG2-CD2 3.41Å; I131-Y135 VanDerWaalsContact CG2-CD2 3.41Å; I131-Y135 HydrophobicContact CG2-CE2 3.31Å; I131-Y135 WeakPolarHBondContact O-CD2 3.43Å; I131-Y135 PolarHBondContact O-N 2.94Å
132	F	89.8	Confident	85.4	Confident	150 Å²	150	121.3 Å²	121.3	66%	0.658	58%	0.576	S	S	*	*	H	α-helix	trans	-60	-39.8	177	-95	-77.4	0	0	0	112.2	T128 V129 R136	T128-F132 VanDerWaalsContact O-CD2 3.32Å; T128-F132 WeakPolarHBondContact O-CD2 3.42Å; T128-F132 PolarHBondContact O-N 3.13Å; V129-F132 PolarHBondContact O-N 3.41Å; F132-R136 WeakPolarHBondContact O-CB 3.35Å; F132-R136 WeakPolarHBondContact O-CG 3.26Å; F132-R136 PolarHBondContact O-N 2.9Å
133	Y	91.7	Very high	86	Confident	158 Å²	158	122.2 Å²	122.2	62%	0.62	58%	0.582	S	S	*	*	H	α-helix	trans	-66	-44.4	176.4	-174.3	-102.8	0	0	0	111.9	V129 S130 I131 R136 I137	V129-Y133 WeakPolarHBondContact O-CB 3.23Å; V129-Y133 PolarHBondContact O-N 2.89Å; S130-Y133 PolarHBondContact O-N 3.22Å; I131-Y133 VanDerWaalsContact C-N 3.29Å; I131-Y133 PolarHBondContact O-N 3.49Å; Y133-R136 WeakPolarHBondContact O-CB 3.33Å; Y133-R136 PolarHBondContact O-N 2.78Å; Y133-I137 HydrophobicContact CD1-CD1 3.78Å; Y133-I137 HydrophobicContact CE1-CD1 3.31Å; Y133-I137 HydrophobicContact CE1-CG1 4.39Å; Y133-I137 WeakPolarHBondContact O-CG1 3.46Å; Y133-I137 PolarHBondContact O-N 2.99Å; Y133-I137 VanDerWaalsContact O-N 3.07Å
134	I	90.2	Very high	86	Confident	91 Å²	91	120 Å²	120	47%	0.467	58%	0.579	S	S	.	*	H	α-helix	trans	-62.8	-45.2	175.6	-68.7	164.8	0	0	0	110.9	S130 I131 R136 I137 L138	S130-I134 WeakPolarHBondContact O-CB 3.42Å; S130-I134 VanDerWaalsContact O-CG1 3.23Å; S130-I134 WeakPolarHBondContact O-CG1 3.32Å; S130-I134 PolarHBondContact O-N 3.02Å; I131-I134 PolarHBondContact O-N 2.94Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.05Å; I134-I137 PolarHBondContact O-N 3.22Å; I134-L138 HydrophobicContact CG2-CD1 3.68Å; I134-L138 HydrophobicContact CG2-CG 4.33Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.07Å
135	Y	90.4	Very high	86.1	Confident	157 Å²	157	122.4 Å²	122.4	62%	0.616	58%	0.584	S	S	*	*	H	α-helix	trans	-61.5	-35	175.9	-84.8	-62.9	0	0	0	112.7	I131 K139	I131-Y135 HydrophobicContact CG2-CD2 3.41Å; I131-Y135 VanDerWaalsContact CG2-CD2 3.41Å; I131-Y135 HydrophobicContact CG2-CE2 3.31Å; I131-Y135 WeakPolarHBondContact O-CD2 3.43Å; I131-Y135 PolarHBondContact O-N 2.94Å; Y135-K139 WeakPolarHBondContact O-CB 3.21Å; Y135-K139 PolarHBondContact O-N 3.18Å
136	R	88.5	Confident	86	Confident	197 Å²	197	121.5 Å²	121.5	74%	0.743	58%	0.583	S	S	*	*	H	α-helix	trans	-66.2	-40	174.5	-81.5	-81.8	-171.1	169.9	1.5	112.1	F132 Y133 I134	F132-R136 WeakPolarHBondContact O-CB 3.35Å; F132-R136 WeakPolarHBondContact O-CG 3.26Å; F132-R136 PolarHBondContact O-N 2.9Å; Y133-R136 WeakPolarHBondContact O-CB 3.33Å; Y133-R136 PolarHBondContact O-N 2.78Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.05Å
137	I	86.3	Confident	85.8	Confident	97 Å²	97	124.1 Å²	124.1	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-68.6	-41.1	177.1	-68.6	171.9	0	0	0	111.2	Y133 I134 K139	Y133-I137 HydrophobicContact CD1-CD1 3.78Å; Y133-I137 HydrophobicContact CE1-CD1 3.31Å; Y133-I137 HydrophobicContact CE1-CG1 4.39Å; Y133-I137 WeakPolarHBondContact O-CG1 3.46Å; Y133-I137 PolarHBondContact O-N 2.99Å; Y133-I137 VanDerWaalsContact O-N 3.07Å; I134-I137 PolarHBondContact O-N 3.22Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.02Å
138	L	84.1	Confident	85.5	Confident	131 Å²	131	123.3 Å²	123.3	69%	0.686	59%	0.594	S	S	*	*	H	α-helix	trans	-76.2	-14.2	-177.9	-70.3	170.5	0	0	0	114.5	I134	I134-L138 HydrophobicContact CG2-CD1 3.68Å; I134-L138 HydrophobicContact CG2-CG 4.33Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.07Å
139	K	72.2	Confident	85	Confident	193 Å²	193	128 Å²	128	84%	0.839	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	8.2	177.9	-109	-173.7	176.1	-177.4	0	114	Y135 I137	Y135-K139 WeakPolarHBondContact O-CB 3.21Å; Y135-K139 PolarHBondContact O-N 3.18Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.02Å
140	V	54.4	Low	84.4	Confident	183 Å²	183	132.8 Å²	132.8	100%	1.109	62%	0.623	S	S	*	*			trans	-107.5	0	168.2	178.2	0	0	0	0	107.5

Retrieved 140 of 140 residues in 236.3 ms (Link to these results)

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