A0A5K4F8A9_SCHMA Loading...

IL4_i_Ig domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

						>A0A5K4F8A9_SCHMA|A0A5K4F8A9
MFLIAVLSYTLISQLGITTSDSCKYCLQLYDETYERGSYIEVYKSVGSLSPPWTAGSVCVPFVNDTKRERPYWYLFDNVNYTGRITGLGHGTCIDDFTKSGFKGISSIKRCIQTKDGKVECINQPKRRRTYCRF
					

Structure Viewer

Loading PAE data...

(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	48.9	Very low	50.5	Low	214 Å²	214	121 Å²	121	100%	1.054	63%	0.633	S	S	*	*				0	82.9	0	-76.6	164	64.5	0	0	109.1
2	F	50.6	Low	50.6	Low	185 Å²	185	116.8 Å²	116.8	81%	0.811	61%	0.61	S	S	*	*			trans	-104	1.7	-174.3	-95	-83.5	0	0	0	114.2
3	L	50.1	Low	50.4	Low	147 Å²	147	113.6 Å²	113.6	77%	0.77	60%	0.604	S	S	*	*	H	α-helix	trans	-79.7	-19.8	-175	-106.8	98.2	0	0	0	115.1
4	I	55.2	Low	50.4	Low	122 Å²	122	116.4 Å²	116.4	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-81.6	-32.3	-174.7	-54.6	175.3	0	0	0	111.4	V6 L7 S8	I4-V6 VanDerWaalsContact C-N 3.31Å; I4-V6 PolarHBondContact O-N 3.11Å; I4-L7 PolarHBondContact O-N 3.02Å; I4-S8 PolarHBondContact O-OG 3.22Å
5	A	50.9	Low	50.7	Low	61 Å²	61	113 Å²	113	50%	0.504	59%	0.594	S	S	.	*	H	α-helix	trans	-69.9	-26	-177.7	0	0	0	0	0	113.6	S8	A5-S8 PolarHBondContact O-OG 3.42Å; A5-S8 VanDerWaalsContact O-OG 3.07Å
6	V	50.6	Low	51	Low	97 Å²	97	107.6 Å²	107.6	59%	0.588	57%	0.574	S	S	*	*	H	α-helix	trans	-77.3	-33.6	-179.8	-174.8	0	0	0	0	111.2	I4 Y9 T10	I4-V6 VanDerWaalsContact C-N 3.31Å; I4-V6 PolarHBondContact O-N 3.11Å; V6-Y9 PolarHBondContact O-N 3.16Å; V6-T10 PolarHBondContact O-N 3.07Å
7	L	46.7	Very low	51.2	Low	110 Å²	110	102.4 Å²	102.4	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-38.8	178.6	-89.7	152.7	0	0	0	112.3	I4 T10 L11	I4-L7 PolarHBondContact O-N 3.02Å; L7-T10 PolarHBondContact O-OG1 2.72Å; L7-L11 PolarHBondContact O-N 2.96Å
8	S	54.6	Low	51.2	Low	58 Å²	58	100.8 Å²	100.8	41%	0.406	54%	0.541	S	S	.	.	H	α-helix	trans	-66.7	-38.8	176.1	35.4	0	0	0	0	112.4	I4 A5 T10 L11 I12	I4-S8 PolarHBondContact O-OG 3.22Å; A5-S8 PolarHBondContact O-OG 3.42Å; A5-S8 VanDerWaalsContact O-OG 3.07Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 2.87Å; S8-L11 PolarHBondContact O-N 2.95Å; S8-I12 VanDerWaalsContact O-CD1 3.32Å; S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 WeakPolarHBondContact O-CG1 3.4Å; S8-I12 PolarHBondContact O-N 3.04Å; S8-I12 VanDerWaalsContact O-N 3.14Å
9	Y	49	Very low	50.9	Low	156 Å²	156	100.8 Å²	100.8	61%	0.612	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-36	-180	-127.6	-91	0	0	0	113.2	V6 S13	V6-Y9 PolarHBondContact O-N 3.16Å; Y9-S13 PolarHBondContact O-N 2.9Å; Y9-S13 VanDerWaalsContact O-N 3.14Å; Y9-S13 PolarHBondContact O-OG 2.75Å
10	T	50.4	Low	50.6	Low	76 Å²	76	99.8 Å²	99.8	47%	0.466	55%	0.545	S	S	.	.	H	α-helix	trans	-70.4	-38.4	178.3	58.5	0	0	0	0	112.9	V6 L7 S8 S13 Q14	V6-T10 PolarHBondContact O-N 3.07Å; L7-T10 PolarHBondContact O-OG1 2.72Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 2.87Å; T10-S13 PolarHBondContact O-N 2.69Å; T10-Q14 PolarHBondContact O-N 3.43Å
11	L	48.5	Very low	50.5	Low	105 Å²	105	102.4 Å²	102.4	55%	0.55	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-40.2	175.2	-98.3	134.6	0	0	0	112.4	L7 S8 S13 Q14 L15	L7-L11 PolarHBondContact O-N 2.96Å; S8-L11 PolarHBondContact O-N 2.95Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.19Å; L11-Q14 PolarHBondContact O-N 2.68Å; L11-L15 PolarHBondContact O-N 3.38Å
12	I	51.5	Low	51	Low	70 Å²	70	96.6 Å²	96.6	36%	0.359	54%	0.539	S	S	.	.	H	α-helix	trans	-65.2	-39.5	178.7	-67.8	167	0	0	0	110.7	S8 Q14 L15 G16 I17	S8-I12 VanDerWaalsContact O-CD1 3.32Å; S8-I12 WeakPolarHBondContact O-CD1 3.45Å; S8-I12 WeakPolarHBondContact O-CG1 3.4Å; S8-I12 PolarHBondContact O-N 3.04Å; S8-I12 VanDerWaalsContact O-N 3.14Å; I12-Q14 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 3.41Å; I12-G16 PolarHBondContact O-N 2.76Å; I12-I17 HydrophobicContact CG2-CB 3.7Å; I12-I17 HydrophobicContact CG2-CG2 3.72Å; I12-I17 WeakPolarHBondContact CG2-O 3.39Å; I12-I17 PolarHBondContact O-N 2.83Å
13	S	48.8	Very low	52.4	Low	76 Å²	76	88.4 Å²	88.4	53%	0.531	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-35.3	178	-57.1	0	0	0	0	113	Y9 T10 L11 L15 G16	Y9-S13 PolarHBondContact O-N 2.9Å; Y9-S13 VanDerWaalsContact O-N 3.14Å; Y9-S13 PolarHBondContact O-OG 2.75Å; T10-S13 PolarHBondContact O-N 2.69Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.19Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-G16 PolarHBondContact O-N 2.8Å
14	Q	50	Low	53.9	Low	153 Å²	153	88.3 Å²	88.3	72%	0.715	50%	0.499	S	S	*	.	H	α-helix	trans	-72	-27.4	176.3	-71	-174.8	-26.7	0	0	113.2	T10 L11 I12 G16 K44	T10-Q14 PolarHBondContact O-N 3.43Å; L11-Q14 PolarHBondContact O-N 2.68Å; I12-Q14 PolarHBondContact O-N 3.47Å; Q14-G16 PolarHBondContact O-N 3.34Å; Q14-K44 PolarHBondContact O-NZ 3.4Å
15	L	55.3	Low	55.4	Low	65 Å²	65	85 Å²	85	34%	0.34	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.9	174.2	-74.5	161.4	0	0	0	113.1	L11 I12 S13 I17 K44	L11-L15 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 3.41Å; S13-L15 VanDerWaalsContact C-N 3.34Å; L15-I17 HydrophobicContact CB-CD1 3.58Å; L15-I17 HydrophobicContact CB-CG1 3.88Å; L15-I17 HydrophobicContact CD1-CD1 4.06Å; L15-I17 HydrophobicContact CG-CD1 4.43Å; L15-I17 PolarHBondContact O-N 2.77Å; L15-K44 WeakPolarHBondContact O-CE 3.5Å
16	G	55.4	Low	57.4	Low	27 Å²	27	82 Å²	82	28%	0.278	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	32.1	-178.3	0	0	0	0	0	112.1	I12 S13 Q14 Y43	I12-G16 PolarHBondContact O-N 2.76Å; S13-G16 PolarHBondContact O-N 2.8Å; Q14-G16 PolarHBondContact O-N 3.34Å; G16-Y43 WeakPolarHBondContact O-CD2 3.23Å
17	I	54.8	Low	59.6	Low	19 Å²	19	77.4 Å²	77.4	10%	0.097	43%	0.426	C	S	.	.			trans	-96.6	112.5	175.7	-62.4	164.6	0	0	0	105.8	I12 L15 I40 W53	I12-I17 HydrophobicContact CG2-CB 3.7Å; I12-I17 HydrophobicContact CG2-CG2 3.72Å; I12-I17 WeakPolarHBondContact CG2-O 3.39Å; I12-I17 PolarHBondContact O-N 2.83Å; L15-I17 HydrophobicContact CB-CD1 3.58Å; L15-I17 HydrophobicContact CB-CG1 3.88Å; L15-I17 HydrophobicContact CD1-CD1 4.06Å; L15-I17 HydrophobicContact CG-CD1 4.43Å; L15-I17 PolarHBondContact O-N 2.77Å; I17-I40 HydrophobicContact CD1-CG2 4.26Å; I17-I40 HydrophobicContact CG1-CG2 4.36Å; I17-I40 HydrophobicContact CG2-CG2 3.68Å; I17-W53 HydrophobicContact CD1-CH2 3.74Å; I17-W53 HydrophobicContact CD1-CZ2 4.23Å
18	T	50.6	Low	61.9	Low	73 Å²	73	73.2 Å²	73.2	45%	0.448	40%	0.404	S	S	.	.			trans	-118.4	136.8	175.4	50.6	0	0	0	0	108.6	Y43	T18-Y43 VanDerWaalsContact OG1-CE2 3.3Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.37Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.24Å; T18-Y43 PolarHBondContact OG1-OH 2.81Å
19	T	44.5	Very low	63.9	Low	102 Å²	102	70.8 Å²	70.8	63%	0.626	39%	0.386	S	S	*	.			trans	-94.9	96	168.4	51.8	0	0	0	0	107.4
20	S	45	Very low	66.1	Low	79 Å²	79	64.8 Å²	64.8	55%	0.552	36%	0.362	S	S	*	.			trans	-157.6	138.7	179.7	173.9	0	0	0	0	111.1	S22	S20-S22 PolarHBondContact O-N 3.34Å
21	D	50.2	Low	68.2	Low	155 Å²	155	66.1 Å²	66.1	83%	0.829	37%	0.367	S	S	*	.	S	Bend	trans	-29.9	113.8	-172.7	-77.4	-41.1	0	0	0	117.1
22	S	58.1	Low	70.6	Confident	92 Å²	92	65.1 Å²	65.1	64%	0.643	36%	0.359	S	S	*	.			trans	46.2	75.2	169	70.9	0	0	0	0	115.4	S20 K24	S20-S22 PolarHBondContact O-N 3.34Å; S22-K24 PolarHBondContact O-N 3.4Å
23	C	79.3	Confident	72.7	Confident	13 Å²	13	63.4 Å²	63.4	9%	0.088	35%	0.352	C	S	.	.			trans	-63.6	123.8	165.5	156.8	0	0	0	0	111.6	C26 E41 Y43 P61	C23-C26 HydrophobicContact CB-CB 4.11Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-SG 3.43Å; C23-C26 WeakPolarHBondContact SG-CA 3.21Å; C23-C26 WeakPolarHBondContact SG-CB 3.36Å; C23-C26 PolarHBondContact SG-N 3.42Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.38Å; C23-E41 WeakPolarHBondContact CB-OE1 3.33Å; C23-Y43 HydrophobicContact CB-CE1 3.75Å; C23-Y43 WeakPolarHBondContact CB-OH 3.31Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.33Å; C23-P61 WeakPolarHBondContact O-CG 3.29Å
24	K	81.9	Confident	75	Confident	146 Å²	146	66 Å²	66	64%	0.635	35%	0.352	S	S	*	.	S	Bend	trans	-80.8	-20.2	-176.6	-69.3	-176.3	178.5	179.7	0	115.1	S22 V63	S22-K24 PolarHBondContact O-N 3.4Å; K24-V63 WeakPolarHBondContact O-CG2 3.36Å
25	Y	88.1	Confident	77.2	Confident	51 Å²	51	61.8 Å²	61.8	20%	0.2	33%	0.332	C	S	.	.	S	Bend	trans	-131.3	11.5	-168	-67	-88.5	0	0	0	114.2	V63 R68 P71 W73	Y25-V63 HydrophobicContact CD1-CG2 4.24Å; Y25-V63 HydrophobicContact CE1-CG1 4.04Å; Y25-V63 HydrophobicContact CE1-CG2 4.09Å; Y25-R68 WeakPolarHBondContact OH-CD 3.45Å; Y25-P71 HydrophobicContact CD1-CB 4.37Å; Y25-P71 HydrophobicContact CD1-CG 4.2Å; Y25-W73 WeakPolarHBondContact O-CZ2 3.3Å
26	C	92.7	Very high	79.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-89.5	172.8	177.4	42.8	0	0	0	0	111.5	C23 E41 V42 Y43 P61 W73	C23-C26 HydrophobicContact CB-CB 4.11Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-SG 3.43Å; C23-C26 WeakPolarHBondContact SG-CA 3.21Å; C23-C26 WeakPolarHBondContact SG-CB 3.36Å; C23-C26 PolarHBondContact SG-N 3.42Å; C23-C26 CovalentContact SG-SG 2.01Å; C23-C26 PolarHBondContact SG-SG 3.38Å; C26-E41 HydrophobicContact CB-CB 4.34Å; C26-V42 CarbonylContact C-O 3.54Å; C26-V42 WeakPolarHBondContact CA-O 3.29Å; C26-V42 WeakPolarHBondContact CB-O 3.44Å; C26-Y43 HydrophobicContact CB-CD1 4.32Å; C26-Y43 HydrophobicContact CB-CE1 4.4Å; C26-Y43 HydrophobicContact CB-CG 4.44Å; C26-P61 VanDerWaalsContact O-CD 3.25Å; C26-P61 WeakPolarHBondContact O-CD 3.37Å; C26-W73 PolarHBondContact O-NE1 2.84Å
27	L	95.5	Very high	80.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.5	159.1	178.6	74.9	0	0	0	108.5	L29 E41 V42 V58 V60 W73 L75 I108	L27-L29 HydrophobicContact CD2-CD1 3.68Å; L27-L29 HydrophobicContact CD2-CG 4.43Å; L27-L29 HydrophobicContact CG-CD1 3.8Å; L27-E41 WeakPolarHBondContact O-CA 3.43Å; L27-V42 HydrophobicContact CB-CB 4.23Å; L27-V42 PolarHBondContact N-O 3.41Å; L27-V42 PolarHBondContact O-N 3.39Å; L27-V58 HydrophobicContact CD1-CG1 3.4Å; L27-V58 VanDerWaalsContact CD1-CG1 3.4Å; L27-V58 HydrophobicContact CD2-CG1 4.48Å; L27-V58 HydrophobicContact CG-CG1 4.01Å; L27-V60 HydrophobicContact CD1-CG2 3.75Å; L27-W73 HydrophobicContact CB-CD2 3.6Å; L27-W73 HydrophobicContact CB-CE3 3.88Å; L27-W73 HydrophobicContact CB-CG 3.92Å; L27-W73 HydrophobicContact CB-CH2 4.37Å; L27-W73 HydrophobicContact CB-CZ2 4.15Å; L27-W73 HydrophobicContact CB-CZ3 4.24Å; L27-W73 HydrophobicContact CD1-CB 3.97Å; L27-W73 HydrophobicContact CD1-CG 4.07Å; L27-W73 HydrophobicContact CD2-CD2 4.44Å; L27-W73 HydrophobicContact CD2-CE3 4.18Å; L27-W73 HydrophobicContact CG-CD2 4.44Å; L27-W73 HydrophobicContact CG-CG 4.45Å; L27-L75 HydrophobicContact CD2-CD2 3.58Å; L27-I108 HydrophobicContact CD2-CD1 4.26Å; L27-I108 HydrophobicContact CD2-CG2 3.83Å
28	Q	95.4	Very high	82.8	Confident	22 Å²	22	68.3 Å²	68.3	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.4	175.7	-68.8	171.5	-32	0	0	108.8	Y30 Y39 I40 E41 V58 C59 P61	Q28-Y30 HydrophobicContact CB-CD2 4.41Å; Q28-Y30 HydrophobicContact CB-CE2 3.69Å; Q28-Y30 PolarHBondContact OE1-OH 3.42Å; Q28-Y39 HydrophobicContact CG-CD2 4.3Å; Q28-I40 WeakPolarHBondContact CA-O 3.26Å; Q28-E41 HydrophobicContact CG-CG 4.33Å; Q28-V58 CarbonylContact O-C 3.6Å; Q28-V58 VanDerWaalsContact O-CA 3.32Å; Q28-V58 WeakPolarHBondContact O-CA 2.95Å; Q28-V58 WeakPolarHBondContact O-CG1 3.09Å; Q28-C59 HydrophobicContact CB-CB 4.46Å; Q28-C59 PolarHBondContact N-O 2.8Å; Q28-C59 PolarHBondContact O-N 3.07Å; Q28-P61 HydrophobicContact CG-CG 4.4Å
29	L	96.4	Very high	84.8	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.3	174.3	-64.7	87.7	0	0	0	108.1	L27 Y39 I40 V42 W53 A55 V58 I105	L27-L29 HydrophobicContact CD2-CD1 3.68Å; L27-L29 HydrophobicContact CD2-CG 4.43Å; L27-L29 HydrophobicContact CG-CD1 3.8Å; L29-Y39 CarbonylContact O-C 3.59Å; L29-Y39 WeakPolarHBondContact O-CA 3.21Å; L29-Y39 WeakPolarHBondContact O-CB 3.17Å; L29-I40 PolarHBondContact N-O 3.14Å; L29-I40 PolarHBondContact O-N 3.29Å; L29-V42 HydrophobicContact CD1-CG2 3.58Å; L29-W53 HydrophobicContact CD2-CE3 4Å; L29-A55 HydrophobicContact CB-CB 4.05Å; L29-A55 HydrophobicContact CD2-CB 4.16Å; L29-A55 HydrophobicContact CG-CB 4.48Å; L29-V58 HydrophobicContact CG-CG1 4.42Å; L29-V58 HydrophobicContact CG-CG2 4.37Å; L29-I105 HydrophobicContact CD2-CD1 3.45Å; L29-I105 VanDerWaalsContact CD2-CD1 3.45Å
30	Y	96.2	Very high	87.2	Confident	29 Å²	29	66.6 Å²	66.6	11%	0.114	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	144.8	-178.3	-66.9	-96.8	0	0	0	110.3	Q28 E32 E35 S38 Y39 A55 G56 S57 C59	Q28-Y30 HydrophobicContact CB-CD2 4.41Å; Q28-Y30 HydrophobicContact CB-CE2 3.69Å; Q28-Y30 PolarHBondContact OE1-OH 3.42Å; Y30-E32 VanDerWaalsContact C-N 3.3Å; Y30-E32 PolarHBondContact O-N 3.25Å; Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.37Å; Y30-E35 WeakPolarHBondContact CD1-O 3.32Å; Y30-E35 HydrophobicContact CD2-CB 4.42Å; Y30-E35 HydrophobicContact CD2-CG 4.43Å; Y30-E35 HydrophobicContact CE1-CB 4.1Å; Y30-E35 VanDerWaalsContact CE1-O 3.31Å; Y30-E35 WeakPolarHBondContact CE1-O 2.99Å; Y30-E35 HydrophobicContact CE2-CB 4.15Å; Y30-E35 HydrophobicContact CE2-CG 4.1Å; Y30-S38 WeakPolarHBondContact CA-O 3.3Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.24Å; Y30-Y39 AromaticContact CE1-CD1 3.88Å; Y30-Y39 HydrophobicContact CE1-CD1 3.88Å; Y30-Y39 AromaticContact CE1-CG 3.92Å; Y30-Y39 HydrophobicContact CE1-CG 3.92Å; Y30-A55 CarbonylContact O-C 3.52Å; Y30-A55 WeakPolarHBondContact O-CA 3.42Å; Y30-G56 PolarHBondContact O-N 2.95Å; Y30-S57 VanDerWaalsContact CB-OG 3.3Å; Y30-S57 WeakPolarHBondContact CB-OG 3.47Å; Y30-S57 PolarHBondContact N-O 2.89Å; Y30-S57 PolarHBondContact O-N 3.28Å; Y30-C59 HydrophobicContact CE2-CB 4.16Å
31	D	94.9	Very high	89.5	Confident	105 Å²	105	62.9 Å²	62.9	56%	0.561	32%	0.32	S	S	*	.	S	Bend	trans	-67.7	-32.7	176.9	-69.8	-20.4	0	0	0	111.8	S38 G56	D31-S38 PolarHBondContact N-O 3.23Å; D31-G56 PolarHBondContact O-N 2.88Å
32	E	97.3	Very high	91.6	Very high	83 Å²	83	55.7 Å²	55.7	39%	0.388	28%	0.281	S	S	.	.	S	Bend	trans	-108.9	167.7	-179.6	-60.7	-179.4	-114.7	0	0	112.8	Y30 R36 G37 G56 S57	Y30-E32 VanDerWaalsContact C-N 3.3Å; Y30-E32 PolarHBondContact O-N 3.25Å; E32-R36 HydrophobicContact CB-CB 3.86Å; E32-R36 WeakPolarHBondContact CB-O 3.09Å; E32-R36 PolarHBondContact N-O 3.14Å; E32-R36 IonicContact OE2-CZ 2.77Å; E32-R36 VanDerWaalsContact OE2-CZ 3.25Å; E32-R36 IonicContact OE2-NH1 3.32Å; E32-R36 PolarHBondContact OE2-NH1 3.43Å; E32-R36 IonicContact OE2-NH2 2.71Å; E32-R36 PolarHBondContact OE2-NH2 3.35Å; E32-G37 WeakPolarHBondContact OE1-CA 3.45Å; E32-G37 PolarHBondContact OE1-N 3.44Å; E32-G56 CarbonylContact O-C 3.57Å; E32-G56 VanDerWaalsContact O-C 3.29Å; E32-S57 WeakPolarHBondContact O-CB 3.16Å; E32-S57 PolarHBondContact O-N 3.49Å; E32-S57 PolarHBondContact O-OG 2.76Å
33	T	97.4	Very high	93.2	Very high	35 Å²	35	54.3 Å²	54.3	22%	0.215	26%	0.263	C	S	.	.	S	Bend	trans	-71.3	156.3	170.7	55.9	0	0	0	0	111.9	R36 D95 D96	T33-R36 PolarHBondContact O-NE 3.29Å; T33-R36 PolarHBondContact OG1-NH2 3.29Å; T33-D95 CarbonylContact C-O 3.46Å; T33-D95 WeakPolarHBondContact CA-O 3.23Å; T33-D95 WeakPolarHBondContact CB-O 3.44Å; T33-D96 HydrophobicContact CG2-CB 4.14Å
34	Y	96.7	Very high	93.8	Very high	131 Å²	131	57.3 Å²	57.3	51%	0.514	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	44.3	178.3	-54.8	-85.3	0	0	0	113.3	R36 D95	Y34-R36 WeakPolarHBondContact O-CG 3.26Å; Y34-R36 PolarHBondContact O-N 3.46Å; Y34-R36 VanDerWaalsContact O-N 3.12Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.6Å; Y34-D95 HydrophobicContact CG-CB 4.2Å; Y34-D95 PolarHBondContact N-O 3.49Å
35	E	95.3	Very high	94.4	Very high	63 Å²	63	50.7 Å²	50.7	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	29.3	174.8	-57.8	72.9	-134.5	0	0	113.9	Y30 S57 C59 C93	Y30-E35 VanDerWaalsContact CD1-C 3.41Å; Y30-E35 HydrophobicContact CD1-CB 4.37Å; Y30-E35 WeakPolarHBondContact CD1-O 3.32Å; Y30-E35 HydrophobicContact CD2-CB 4.42Å; Y30-E35 HydrophobicContact CD2-CG 4.43Å; Y30-E35 HydrophobicContact CE1-CB 4.1Å; Y30-E35 VanDerWaalsContact CE1-O 3.31Å; Y30-E35 WeakPolarHBondContact CE1-O 2.99Å; Y30-E35 HydrophobicContact CE2-CB 4.15Å; Y30-E35 HydrophobicContact CE2-CG 4.1Å; E35-S57 WeakPolarHBondContact CA-OG 3.49Å; E35-S57 PolarHBondContact N-OG 3.08Å; E35-C59 WeakPolarHBondContact CG-SG 3.42Å; E35-C93 WeakPolarHBondContact OE1-CB 3.2Å
36	R	94.9	Very high	94.7	Very high	122 Å²	122	49 Å²	49	46%	0.46	24%	0.241	S	C	.	.			trans	-98.7	165.5	180	-65.2	-175.9	-59.2	114.3	9.3	112.1	E32 T33 Y34	E32-R36 HydrophobicContact CB-CB 3.86Å; E32-R36 WeakPolarHBondContact CB-O 3.09Å; E32-R36 PolarHBondContact N-O 3.14Å; E32-R36 IonicContact OE2-CZ 2.77Å; E32-R36 VanDerWaalsContact OE2-CZ 3.25Å; E32-R36 IonicContact OE2-NH1 3.32Å; E32-R36 PolarHBondContact OE2-NH1 3.43Å; E32-R36 IonicContact OE2-NH2 2.71Å; E32-R36 PolarHBondContact OE2-NH2 3.35Å; T33-R36 PolarHBondContact O-NE 3.29Å; T33-R36 PolarHBondContact OG1-NH2 3.29Å; Y34-R36 WeakPolarHBondContact O-CG 3.26Å; Y34-R36 PolarHBondContact O-N 3.46Å; Y34-R36 VanDerWaalsContact O-N 3.12Å
37	G	94	Very high	94.8	Very high	41 Å²	41	49.9 Å²	49.9	42%	0.423	25%	0.25	S	S	.	.	S	Bend	trans	78	-167.7	176.7	0	0	0	0	0	113.2	E32	E32-G37 WeakPolarHBondContact OE1-CA 3.45Å; E32-G37 PolarHBondContact OE1-N 3.44Å
38	S	94.2	Very high	94.7	Very high	85 Å²	85	53.3 Å²	53.3	59%	0.594	27%	0.274	S	S	*	.			trans	-69.5	155	173.3	-61.3	0	0	0	0	109.9	Y30 D31	Y30-S38 WeakPolarHBondContact CA-O 3.3Å; D31-S38 PolarHBondContact N-O 3.23Å
39	Y	93.7	Very high	94.7	Very high	86 Å²	86	52.9 Å²	52.9	34%	0.337	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.1	177.4	66.6	-84.9	0	0	0	111.8	Q28 L29 Y30 E41	Q28-Y39 HydrophobicContact CG-CD2 4.3Å; L29-Y39 CarbonylContact O-C 3.59Å; L29-Y39 WeakPolarHBondContact O-CA 3.21Å; L29-Y39 WeakPolarHBondContact O-CB 3.17Å; Y30-Y39 HydrophobicContact CD1-CD1 4.34Å; Y30-Y39 HydrophobicContact CD1-CG 4.24Å; Y30-Y39 AromaticContact CE1-CD1 3.88Å; Y30-Y39 HydrophobicContact CE1-CD1 3.88Å; Y30-Y39 AromaticContact CE1-CG 3.92Å; Y30-Y39 HydrophobicContact CE1-CG 3.92Å; Y39-E41 HydrophobicContact CD2-CG 3.88Å; Y39-E41 HydrophobicContact CE2-CG 3.58Å
40	I	93.7	Very high	94.5	Very high	53 Å²	53	58 Å²	58	27%	0.272	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	174.4	-64.3	173.8	0	0	0	108.5	I17 Q28 L29 V42 W53	I17-I40 HydrophobicContact CD1-CG2 4.26Å; I17-I40 HydrophobicContact CG1-CG2 4.36Å; I17-I40 HydrophobicContact CG2-CG2 3.68Å; Q28-I40 WeakPolarHBondContact CA-O 3.26Å; L29-I40 PolarHBondContact N-O 3.14Å; L29-I40 PolarHBondContact O-N 3.29Å; I40-V42 HydrophobicContact CG2-CG2 4.38Å; I40-W53 HydrophobicContact CD1-CH2 4.43Å; I40-W53 HydrophobicContact CG2-CH2 3.88Å; I40-W53 HydrophobicContact CG2-CZ3 3.92Å
41	E	94.8	Very high	94.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.4	173	-60.9	-171.2	142.8	0	0	110.9	C23 C26 L27 Q28 Y39 Y43	C23-E41 WeakPolarHBondContact CB-OE1 3.33Å; C26-E41 HydrophobicContact CB-CB 4.34Å; L27-E41 WeakPolarHBondContact O-CA 3.43Å; Q28-E41 HydrophobicContact CG-CG 4.33Å; Y39-E41 HydrophobicContact CD2-CG 3.88Å; Y39-E41 HydrophobicContact CE2-CG 3.58Å; E41-Y43 HydrophobicContact CB-CD2 4.24Å; E41-Y43 HydrophobicContact CB-CE2 3.45Å; E41-Y43 VanDerWaalsContact CB-CE2 3.45Å; E41-Y43 PolarHBondContact OE2-OH 3.06Å
42	V	93.6	Very high	94.4	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.024	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.7	178.2	-177.4	0	0	0	0	109.6	C26 L27 L29 I40 K44 V46 W53 W73 I108	C26-V42 CarbonylContact C-O 3.54Å; C26-V42 WeakPolarHBondContact CA-O 3.29Å; C26-V42 WeakPolarHBondContact CB-O 3.44Å; L27-V42 HydrophobicContact CB-CB 4.23Å; L27-V42 PolarHBondContact N-O 3.41Å; L27-V42 PolarHBondContact O-N 3.39Å; L29-V42 HydrophobicContact CD1-CG2 3.58Å; I40-V42 HydrophobicContact CG2-CG2 4.38Å; V42-K44 VanDerWaalsContact CG1-O 3.23Å; V42-K44 WeakPolarHBondContact CG1-O 3.32Å; V42-V46 HydrophobicContact CG1-CG2 4.37Å; V42-W53 HydrophobicContact CG2-CH2 4.42Å; V42-W53 HydrophobicContact CG2-CZ3 3.77Å; V42-W73 HydrophobicContact CB-CH2 4.47Å; V42-W73 HydrophobicContact CB-CZ3 4.49Å; V42-W73 HydrophobicContact CG1-CH2 4.07Å; V42-W73 HydrophobicContact CG1-CZ3 3.88Å; V42-W73 WeakPolarHBondContact O-CH2 3.16Å; V42-W73 VanDerWaalsContact O-CZ2 3.27Å; V42-W73 WeakPolarHBondContact O-CZ2 3.04Å; V42-I108 HydrophobicContact CG1-CD1 4.33Å; V42-I108 HydrophobicContact CG1-CG2 4.28Å; V42-I108 HydrophobicContact CG2-CD1 4.12Å
43	Y	91.6	Very high	94.4	Very high	64 Å²	64	58.3 Å²	58.3	25%	0.251	32%	0.319	S	S	.	.			trans	-106.1	-16.1	-172.7	-68.3	-98.5	0	0	0	114.2	G16 T18 C23 C26 E41 R110	G16-Y43 WeakPolarHBondContact O-CD2 3.23Å; T18-Y43 VanDerWaalsContact OG1-CE2 3.3Å; T18-Y43 WeakPolarHBondContact OG1-CE2 3.37Å; T18-Y43 VanDerWaalsContact OG1-CZ 3.24Å; T18-Y43 PolarHBondContact OG1-OH 2.81Å; C23-Y43 HydrophobicContact CB-CE1 3.75Å; C23-Y43 WeakPolarHBondContact CB-OH 3.31Å; C23-Y43 WeakPolarHBondContact SG-CE1 3.33Å; C26-Y43 HydrophobicContact CB-CD1 4.32Å; C26-Y43 HydrophobicContact CB-CE1 4.4Å; C26-Y43 HydrophobicContact CB-CG 4.44Å; E41-Y43 HydrophobicContact CB-CD2 4.24Å; E41-Y43 HydrophobicContact CB-CE2 3.45Å; E41-Y43 VanDerWaalsContact CB-CE2 3.45Å; E41-Y43 PolarHBondContact OE2-OH 3.06Å; Y43-R110 WeakPolarHBondContact O-CD 3.49Å; Y43-R110 PolarHBondContact O-NH1 3.47Å
44	K	92.1	Very high	94.3	Very high	76 Å²	76	61.8 Å²	61.8	33%	0.33	34%	0.34	S	S	.	.	S	Bend	trans	-141.5	162.1	-178.3	62.6	-179.2	173.8	-171.8	0	110.2	Q14 L15 V42	Q14-K44 PolarHBondContact O-NZ 3.4Å; L15-K44 WeakPolarHBondContact O-CE 3.5Å; V42-K44 VanDerWaalsContact CG1-O 3.23Å; V42-K44 WeakPolarHBondContact CG1-O 3.32Å
45	S	94.6	Very high	94.3	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.042	32%	0.319	C	S	.	.			trans	-58.4	149.5	172.8	-43.7	0	0	0	0	111.4	Y81 I108 R110 Q124	S45-Y81 WeakPolarHBondContact CB-OH 3.32Å; S45-I108 CarbonylContact C-O 3.38Å; S45-I108 WeakPolarHBondContact CA-O 3.2Å; S45-I108 VanDerWaalsContact CB-O 3.26Å; S45-I108 WeakPolarHBondContact CB-O 3.17Å; S45-R110 PolarHBondContact OG-N 3.47Å; S45-Q124 PolarHBondContact O-NE2 3.32Å; S45-Q124 PolarHBondContact O-OE1 2.97Å
46	V	94.1	Very high	94.4	Very high	16 Å²	16	53.1 Å²	53.1	10%	0.097	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-129.2	114.4	175.1	-176	0	0	0	0	107.7	V42 S48 L49 Y81 S107 I108	V42-V46 HydrophobicContact CG1-CG2 4.37Å; V46-S48 VanDerWaalsContact C-N 3.34Å; V46-L49 HydrophobicContact CG1-CD2 3.64Å; V46-L49 HydrophobicContact CG1-CG 3.86Å; V46-Y81 WeakPolarHBondContact O-CE1 3.25Å; V46-S107 CarbonylContact O-C 3.6Å; V46-S107 VanDerWaalsContact O-CA 3.3Å; V46-S107 WeakPolarHBondContact O-CA 3.4Å; V46-S107 WeakPolarHBondContact O-CB 3.36Å; V46-I108 HydrophobicContact CB-CB 4.48Å; V46-I108 PolarHBondContact N-O 3.27Å; V46-I108 PolarHBondContact O-N 3.48Å
47	G	94.1	Very high	94.5	Very high	19 Å²	19	47.3 Å²	47.3	20%	0.196	29%	0.286	C	S	.	.	S	Bend	trans	-76.6	-18.7	-175.6	0	0	0	0	0	114.3	N80 Y81	G47-N80 PolarHBondContact O-N 2.71Å; G47-Y81 PolarHBondContact N-OH 2.81Å
48	S	94.8	Very high	94.7	Very high	72 Å²	72	45.4 Å²	45.4	50%	0.503	27%	0.266	S	S	.	.			trans	-156.9	125.8	180	-175.6	0	0	0	0	110.4	V46 V79 S106	V46-S48 VanDerWaalsContact C-N 3.34Å; S48-V79 WeakPolarHBondContact OG-CG1 3.27Å; S48-S106 CarbonylContact C-O 3.5Å; S48-S106 WeakPolarHBondContact CA-O 3.48Å
49	L	93.7	Very high	94.8	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.068	24%	0.239	C	C	.	.			trans	-115.3	118.2	169.5	-67.3	170.2	0	0	0	107.7	V46 P51 W53 I105 S106 I108	V46-L49 HydrophobicContact CG1-CD2 3.64Å; V46-L49 HydrophobicContact CG1-CG 3.86Å; L49-P51 CarbonylContact C-O 3.32Å; L49-P51 VanDerWaalsContact C-O 3.32Å; L49-P51 CarbonylContact O-C 3.48Å; L49-W53 HydrophobicContact CD1-CB 4.33Å; L49-W53 HydrophobicContact CD1-CD2 3.76Å; L49-W53 HydrophobicContact CD1-CE3 3.94Å; L49-W53 HydrophobicContact CD1-CG 3.92Å; L49-W53 HydrophobicContact CD2-CD2 4.01Å; L49-W53 HydrophobicContact CD2-CG 4.48Å; L49-W53 HydrophobicContact CD2-CH2 4.35Å; L49-W53 HydrophobicContact CD2-CZ2 3.81Å; L49-W53 HydrophobicContact CG-CD2 4.46Å; L49-I105 HydrophobicContact CD1-CG2 4.15Å; L49-I105 WeakPolarHBondContact CD1-O 3.48Å; L49-S106 PolarHBondContact N-O 3.27Å; L49-I108 HydrophobicContact CD1-CD1 4Å; L49-I108 HydrophobicContact CD1-CG1 4.17Å
50	S	92.9	Very high	94.9	Very high	113 Å²	113	37.5 Å²	37.5	79%	0.79	22%	0.223	S	C	*	.	S	Bend	trans	-135.8	112.2	178.2	-169	0	0	0	0	108.8
51	P	94.5	Very high	94.9	Very high	101 Å²	101	36.1 Å²	36.1	66%	0.656	22%	0.218	S	C	*	.	S	Bend	cis	-64.9	160.2	-3.2	30.7	-36.2	0	0	0	112.9	L49	L49-P51 CarbonylContact C-O 3.32Å; L49-P51 VanDerWaalsContact C-O 3.32Å; L49-P51 CarbonylContact O-C 3.48Å
52	P	95.3	Very high	94.8	Very high	60 Å²	60	42.4 Å²	42.4	39%	0.39	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57.1	144	170.1	-23.4	34.6	0	0	0	111.1	I105 S106	P52-I105 CarbonylContact C-O 3.56Å; P52-I105 VanDerWaalsContact CA-O 3.29Å; P52-I105 WeakPolarHBondContact CA-O 3.22Å; P52-S106 WeakPolarHBondContact CG-OG 3.46Å
53	W	96.3	Very high	94.5	Very high	63 Å²	63	42.6 Å²	42.6	24%	0.239	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-82	138.2	177.7	-71	-1.9	0	0	0	111.5	I17 L29 I40 V42 L49 G104 I105 I108	I17-W53 HydrophobicContact CD1-CH2 3.74Å; I17-W53 HydrophobicContact CD1-CZ2 4.23Å; L29-W53 HydrophobicContact CD2-CE3 4Å; I40-W53 HydrophobicContact CD1-CH2 4.43Å; I40-W53 HydrophobicContact CG2-CH2 3.88Å; I40-W53 HydrophobicContact CG2-CZ3 3.92Å; V42-W53 HydrophobicContact CG2-CH2 4.42Å; V42-W53 HydrophobicContact CG2-CZ3 3.77Å; L49-W53 HydrophobicContact CD1-CB 4.33Å; L49-W53 HydrophobicContact CD1-CD2 3.76Å; L49-W53 HydrophobicContact CD1-CE3 3.94Å; L49-W53 HydrophobicContact CD1-CG 3.92Å; L49-W53 HydrophobicContact CD2-CD2 4.01Å; L49-W53 HydrophobicContact CD2-CG 4.48Å; L49-W53 HydrophobicContact CD2-CH2 4.35Å; L49-W53 HydrophobicContact CD2-CZ2 3.81Å; L49-W53 HydrophobicContact CG-CD2 4.46Å; W53-G104 CarbonylContact O-C 3.57Å; W53-G104 WeakPolarHBondContact O-CA 3Å; W53-I105 HydrophobicContact CB-CB 4.48Å; W53-I105 PolarHBondContact N-O 2.93Å; W53-I105 PolarHBondContact O-N 2.75Å; W53-I108 HydrophobicContact CE3-CD1 4.37Å; W53-I108 HydrophobicContact CZ3-CD1 4.4Å
54	T	96	Very high	94	Very high	108 Å²	108	45.8 Å²	45.8	66%	0.663	27%	0.268	S	S	*	.			trans	-118.7	94.1	-179.1	53.2	0	0	0	0	110
55	A	96.1	Very high	93.3	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	27%	0.265	C	S	.	.			trans	-86	147.3	179.6	0	0	0	0	0	111.7	L29 Y30 V58	L29-A55 HydrophobicContact CB-CB 4.05Å; L29-A55 HydrophobicContact CD2-CB 4.16Å; L29-A55 HydrophobicContact CG-CB 4.48Å; Y30-A55 CarbonylContact O-C 3.52Å; Y30-A55 WeakPolarHBondContact O-CA 3.42Å; A55-V58 HydrophobicContact CB-CG2 3.89Å
56	G	97.5	Very high	92.3	Very high	6 Å²	6	49.2 Å²	49.2	6%	0.062	29%	0.293	C	S	.	.	S	Bend	trans	-77.8	-42.7	169.1	0	0	0	0	0	112	Y30 D31 E32 F97	Y30-G56 PolarHBondContact O-N 2.95Å; D31-G56 PolarHBondContact O-N 2.88Å; E32-G56 CarbonylContact O-C 3.57Å; E32-G56 VanDerWaalsContact O-C 3.29Å; G56-F97 PolarHBondContact O-N 2.81Å
57	S	97.7	Very high	91.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.2	173.5	55.6	0	0	0	0	111.4	Y30 E32 E35 I94 D95	Y30-S57 VanDerWaalsContact CB-OG 3.3Å; Y30-S57 WeakPolarHBondContact CB-OG 3.47Å; Y30-S57 PolarHBondContact N-O 2.89Å; Y30-S57 PolarHBondContact O-N 3.28Å; E32-S57 WeakPolarHBondContact O-CB 3.16Å; E32-S57 PolarHBondContact O-N 3.49Å; E32-S57 PolarHBondContact O-OG 2.76Å; E35-S57 WeakPolarHBondContact CA-OG 3.49Å; E35-S57 PolarHBondContact N-OG 3.08Å; S57-I94 VanDerWaalsContact CA-O 3.24Å; S57-I94 WeakPolarHBondContact CA-O 3.07Å; S57-I94 WeakPolarHBondContact CB-O 3.27Å; S57-D95 WeakPolarHBondContact CB-O 3.08Å
58	V	97.3	Very high	90.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.9	-177.5	-174.9	0	0	0	0	110	L27 Q28 L29 A55 L75 L88 C93 I94 F97	L27-V58 HydrophobicContact CD1-CG1 3.4Å; L27-V58 VanDerWaalsContact CD1-CG1 3.4Å; L27-V58 HydrophobicContact CD2-CG1 4.48Å; L27-V58 HydrophobicContact CG-CG1 4.01Å; Q28-V58 CarbonylContact O-C 3.6Å; Q28-V58 VanDerWaalsContact O-CA 3.32Å; Q28-V58 WeakPolarHBondContact O-CA 2.95Å; Q28-V58 WeakPolarHBondContact O-CG1 3.09Å; L29-V58 HydrophobicContact CG-CG1 4.42Å; L29-V58 HydrophobicContact CG-CG2 4.37Å; A55-V58 HydrophobicContact CB-CG2 3.89Å; V58-L75 HydrophobicContact CG1-CD1 4.15Å; V58-L75 HydrophobicContact CG2-CD1 4.23Å; V58-L88 HydrophobicContact CB-CD2 4.2Å; V58-L88 HydrophobicContact CG1-CD1 4.47Å; V58-L88 HydrophobicContact CG1-CD2 3.93Å; V58-C93 CarbonylContact O-C 3.5Å; V58-C93 VanDerWaalsContact O-CA 3.29Å; V58-C93 WeakPolarHBondContact O-CA 3.43Å; V58-I94 PolarHBondContact N-O 2.05Å; V58-I94 PolarHBondContact O-N 2.89Å; V58-F97 HydrophobicContact CB-CD2 4.39Å; V58-F97 HydrophobicContact CG2-CB 4.14Å; V58-F97 HydrophobicContact CG2-CD1 4.47Å; V58-F97 HydrophobicContact CG2-CD2 3.7Å; V58-F97 HydrophobicContact CG2-CE2 4.25Å; V58-F97 HydrophobicContact CG2-CG 3.83Å
59	C	97.1	Very high	90	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.3	177.3	-69.4	0	0	0	0	113.1	Q28 Y30 E35 T92 C93	Q28-C59 HydrophobicContact CB-CB 4.46Å; Q28-C59 PolarHBondContact N-O 2.8Å; Q28-C59 PolarHBondContact O-N 3.07Å; Y30-C59 HydrophobicContact CE2-CB 4.16Å; E35-C59 WeakPolarHBondContact CG-SG 3.42Å; C59-T92 WeakPolarHBondContact CA-O 3.31Å; C59-C93 HydrophobicContact CB-CB 4.2Å; C59-C93 WeakPolarHBondContact CB-SG 3.33Å; C59-C93 WeakPolarHBondContact SG-CB 3.27Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.94Å
60	V	95.8	Very high	89.9	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.006	36%	0.356	C	S	.	.			trans	-115.9	120.2	162	-175.8	0	0	0	0	107.3	L27 P71 W73 L88 G89 G91 T92	L27-V60 HydrophobicContact CD1-CG2 3.75Å; V60-P71 HydrophobicContact CG1-CB 4.05Å; V60-P71 HydrophobicContact CG1-CG 3.83Å; V60-W73 HydrophobicContact CG2-CB 4.28Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; V60-G89 WeakPolarHBondContact CB-O 3.32Å; V60-G91 VanDerWaalsContact O-CA 3.3Å; V60-G91 WeakPolarHBondContact O-CA 3.39Å; V60-G91 PolarHBondContact O-N 3.2Å; V60-T92 PolarHBondContact N-O 2.81Å
61	P	93.4	Very high	89.9	Confident	25 Å²	25	63.7 Å²	63.7	16%	0.162	32%	0.32	C	S	.	.			trans	-54.2	146	179.4	-31.1	39.4	0	0	0	113.2	C23 C26 Q28 V63 G91	C23-P61 WeakPolarHBondContact O-CG 3.29Å; C26-P61 VanDerWaalsContact O-CD 3.25Å; C26-P61 WeakPolarHBondContact O-CD 3.37Å; Q28-P61 HydrophobicContact CG-CG 4.4Å; P61-V63 PolarHBondContact O-N 2.98Å; P61-G91 PolarHBondContact O-N 2.8Å
62	F	91.5	Very high	89.9	Confident	132 Å²	132	60.9 Å²	60.9	58%	0.579	30%	0.296	S	S	*	.			trans	-70.5	125.2	177.1	-176.2	-98.9	0	0	0	111	N64 H90	F62-N64 HydrophobicContact CD1-CB 4.21Å; F62-N64 HydrophobicContact CE1-CB 3.68Å; F62-H90 AromaticContact CD2-CE1 3.8Å; F62-H90 AromaticContact CD2-ND1 3.56Å; F62-H90 AromaticContact CE2-CE1 3.45Å; F62-H90 VanDerWaalsContact CE2-CE1 3.45Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.49Å; F62-H90 AromaticContact CE2-ND1 3.68Å
63	V	88	Confident	90	Very high	8 Å²	8	58 Å²	58	5%	0.048	28%	0.278	C	S	.	.			trans	-103.2	113.3	172.4	179.8	0	0	0	0	109.9	K24 Y25 P61 D65 P71 H90	K24-V63 WeakPolarHBondContact O-CG2 3.36Å; Y25-V63 HydrophobicContact CD1-CG2 4.24Å; Y25-V63 HydrophobicContact CE1-CG1 4.04Å; Y25-V63 HydrophobicContact CE1-CG2 4.09Å; P61-V63 PolarHBondContact O-N 2.98Å; V63-D65 VanDerWaalsContact C-N 3.32Å; V63-D65 HydrophobicContact CG1-CB 3.85Å; V63-P71 HydrophobicContact CG2-CG 3.7Å; V63-H90 PolarHBondContact O-ND1 3Å
64	N	80.6	Confident	90	Very high	132 Å²	132	57.6 Å²	57.6	71%	0.706	28%	0.277	S	S	*	.			trans	-88.8	4.2	175.3	-159.5	20.1	0	0	0	113.5	F62 T66	F62-N64 HydrophobicContact CD1-CB 4.21Å; F62-N64 HydrophobicContact CE1-CB 3.68Å; N64-T66 PolarHBondContact O-N 3.36Å; N64-T66 VanDerWaalsContact O-N 3.17Å
65	D	78.6	Confident	90.1	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.283	25%	0.245	S	C	.	.			trans	-76.2	105.5	-178.9	-170.1	-15.1	0	0	0	110.3	V63 K67 R68	V63-D65 VanDerWaalsContact C-N 3.32Å; V63-D65 HydrophobicContact CG1-CB 3.85Å; D65-K67 PolarHBondContact O-N 2.82Å; D65-K67 WeakPolarHBondContact OD1-CA 3.47Å; D65-K67 WeakPolarHBondContact OD1-CB 3.25Å; D65-K67 PolarHBondContact OD1-N 3.14Å; D65-R68 VanDerWaalsContact OD2-CD 3.25Å; D65-R68 WeakPolarHBondContact OD2-CD 3.15Å; D65-R68 WeakPolarHBondContact OD2-CG 3.4Å; D65-R68 IonicContact OD2-NE 2.69Å
66	T	73.9	Confident	90.2	Very high	100 Å²	100	52.9 Å²	52.9	61%	0.613	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.7	178.3	58.8	0	0	0	0	113.3	N64 K115	N64-T66 PolarHBondContact O-N 3.36Å; N64-T66 VanDerWaalsContact O-N 3.17Å; T66-K115 WeakPolarHBondContact O-CE 3.21Å; T66-K115 PolarHBondContact O-NZ 2.97Å
67	K	71.3	Confident	90.2	Very high	184 Å²	184	55 Å²	55	80%	0.8	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.7	179.6	-62.9	-174.5	178	-177.9	0	112.7	D65	D65-K67 PolarHBondContact O-N 2.82Å; D65-K67 WeakPolarHBondContact OD1-CA 3.47Å; D65-K67 WeakPolarHBondContact OD1-CB 3.25Å; D65-K67 PolarHBondContact OD1-N 3.14Å
68	R	76.7	Confident	90.1	Very high	154 Å²	154	58.8 Å²	58.8	58%	0.581	28%	0.276	S	S	*	.	S	Bend	trans	-112.1	157.6	-175.4	-64.8	-176.7	-179.8	-175.5	1.6	111.7	Y25 D65	Y25-R68 WeakPolarHBondContact OH-CD 3.45Å; D65-R68 VanDerWaalsContact OD2-CD 3.25Å; D65-R68 WeakPolarHBondContact OD2-CD 3.15Å; D65-R68 WeakPolarHBondContact OD2-CG 3.4Å; D65-R68 IonicContact OD2-NE 2.69Å
69	E	85.2	Confident	90	Very high	89 Å²	89	60.9 Å²	60.9	42%	0.416	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.6	148.8	169.8	-62.8	165.2	154.3	0	0	109.8	I112	E69-I112 HydrophobicContact CB-CB 4.09Å; E69-I112 HydrophobicContact CB-CG2 4.38Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.43Å
70	R	91.2	Very high	90	Very high	107 Å²	107	66.2 Å²	66.2	40%	0.404	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.3	-172.9	-52.6	-166.8	-171.9	160.4	1.8	110	Y72 H90 I112 Q113	R70-Y72 PolarHBondContact O-N 2.9Å; R70-H90 HydrophobicContact CB-CB 4.37Å; R70-H90 WeakPolarHBondContact CD-CD2 3.13Å; R70-H90 VanDerWaalsContact CD-CE1 3.4Å; R70-H90 WeakPolarHBondContact CD-CE1 3.43Å; R70-H90 WeakPolarHBondContact CD-NE2 3.31Å; R70-H90 PolarHBondContact NH1-CE1 2.82Å; R70-H90 PolarHBondContact NH1-NE2 3.18Å; R70-I112 CarbonylContact O-C 3.6Å; R70-I112 WeakPolarHBondContact O-CA 3.06Å; R70-Q113 HydrophobicContact CB-CB 4.47Å; R70-Q113 PolarHBondContact N-O 3.36Å; R70-Q113 PolarHBondContact O-N 3.39Å
71	P	93.2	Very high	90	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.3	177	26.6	-33.6	0	0	0	110.2	Y25 V60 V63 H90	Y25-P71 HydrophobicContact CD1-CB 4.37Å; Y25-P71 HydrophobicContact CD1-CG 4.2Å; V60-P71 HydrophobicContact CG1-CB 4.05Å; V60-P71 HydrophobicContact CG1-CG 3.83Å; V63-P71 HydrophobicContact CG2-CG 3.7Å; P71-H90 HydrophobicContact CG-CB 3.85Å; P71-H90 PolarHBondContact O-N 2.76Å; P71-H90 VanDerWaalsContact O-N 3.09Å
72	Y	95.4	Very high	90.1	Very high	42 Å²	42	70.8 Å²	70.8	17%	0.165	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.5	171	-163.5	-78.1	0	0	0	108.4	R70 Y74 L88 C111 Q113 V119	R70-Y72 PolarHBondContact O-N 2.9Å; Y72-Y74 HydrophobicContact CD1-CD2 4.43Å; Y72-Y74 HydrophobicContact CD1-CE1 4.43Å; Y72-Y74 HydrophobicContact CD1-CE2 4.12Å; Y72-Y74 AromaticContact CE1-CD1 3.95Å; Y72-Y74 HydrophobicContact CE1-CD1 3.95Å; Y72-Y74 HydrophobicContact CE1-CD2 4.37Å; Y72-Y74 AromaticContact CE1-CE1 3.5Å; Y72-Y74 HydrophobicContact CE1-CE1 3.5Å; Y72-Y74 VanDerWaalsContact CE1-CE1 3.5Å; Y72-Y74 AromaticContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CG 4.36Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y72-L88 CarbonylContact C-O 3.26Å; Y72-L88 WeakPolarHBondContact CA-O 3.41Å; Y72-C111 PolarHBondContact N-O 2.77Å; Y72-C111 VanDerWaalsContact N-O 3.14Å; Y72-C111 CarbonylContact O-C 3.57Å; Y72-C111 VanDerWaalsContact O-C 3.26Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 2.94Å; Y72-C111 WeakPolarHBondContact O-CB 3.37Å; Y72-C111 PolarHBondContact O-N 3.34Å; Y72-Q113 HydrophobicContact CD2-CB 4.42Å; Y72-V119 HydrophobicContact CD1-CG1 3.7Å; Y72-V119 HydrophobicContact CD1-CG2 4.22Å; Y72-V119 HydrophobicContact CD2-CG2 3.85Å; Y72-V119 HydrophobicContact CE1-CG1 4.28Å; Y72-V119 HydrophobicContact CE1-CG2 4.42Å; Y72-V119 HydrophobicContact CE2-CG2 4.04Å; Y72-V119 HydrophobicContact CG-CG1 3.91Å; Y72-V119 HydrophobicContact CG-CG2 3.94Å
73	W	96.8	Very high	90.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.6	-175	-70.3	90	0	0	0	110.7	Y25 C26 L27 V42 V60 G87 L88 I108 R110	Y25-W73 WeakPolarHBondContact O-CZ2 3.3Å; C26-W73 PolarHBondContact O-NE1 2.84Å; L27-W73 HydrophobicContact CB-CD2 3.6Å; L27-W73 HydrophobicContact CB-CE3 3.88Å; L27-W73 HydrophobicContact CB-CG 3.92Å; L27-W73 HydrophobicContact CB-CH2 4.37Å; L27-W73 HydrophobicContact CB-CZ2 4.15Å; L27-W73 HydrophobicContact CB-CZ3 4.24Å; L27-W73 HydrophobicContact CD1-CB 3.97Å; L27-W73 HydrophobicContact CD1-CG 4.07Å; L27-W73 HydrophobicContact CD2-CD2 4.44Å; L27-W73 HydrophobicContact CD2-CE3 4.18Å; L27-W73 HydrophobicContact CG-CD2 4.44Å; L27-W73 HydrophobicContact CG-CG 4.45Å; V42-W73 HydrophobicContact CB-CH2 4.47Å; V42-W73 HydrophobicContact CB-CZ3 4.49Å; V42-W73 HydrophobicContact CG1-CH2 4.07Å; V42-W73 HydrophobicContact CG1-CZ3 3.88Å; V42-W73 WeakPolarHBondContact O-CH2 3.16Å; V42-W73 VanDerWaalsContact O-CZ2 3.27Å; V42-W73 WeakPolarHBondContact O-CZ2 3.04Å; V60-W73 HydrophobicContact CG2-CB 4.28Å; V60-W73 HydrophobicContact CG2-CG 4.18Å; W73-G87 CarbonylContact O-C 3.55Å; W73-G87 WeakPolarHBondContact O-CA 3.32Å; W73-L88 PolarHBondContact N-O 2.97Å; W73-L88 PolarHBondContact O-N 2.86Å; W73-I108 HydrophobicContact CE3-CG2 3.52Å; W73-I108 HydrophobicContact CZ3-CG2 3.65Å; W73-R110 HydrophobicContact CD2-CB 4.43Å; W73-R110 HydrophobicContact CD2-CG 4.37Å; W73-R110 HydrophobicContact CE3-CB 3.96Å; W73-R110 HydrophobicContact CE3-CG 4.37Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.76Å; W73-R110 HydrophobicContact CZ2-CB 4.17Å; W73-R110 HydrophobicContact CZ2-CG 3.71Å; W73-R110 HydrophobicContact CZ3-CB 3.61Å; W73-R110 HydrophobicContact CZ3-CG 4.1Å
74	Y	97.3	Very high	90.8	Very high	55 Å²	55	74.3 Å²	74.3	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133	167.4	-71.9	-63.9	0	0	0	110.6	Y72 F76 I85 T86 I108 K109 C111 V119	Y72-Y74 HydrophobicContact CD1-CD2 4.43Å; Y72-Y74 HydrophobicContact CD1-CE1 4.43Å; Y72-Y74 HydrophobicContact CD1-CE2 4.12Å; Y72-Y74 AromaticContact CE1-CD1 3.95Å; Y72-Y74 HydrophobicContact CE1-CD1 3.95Å; Y72-Y74 HydrophobicContact CE1-CD2 4.37Å; Y72-Y74 AromaticContact CE1-CE1 3.5Å; Y72-Y74 HydrophobicContact CE1-CE1 3.5Å; Y72-Y74 VanDerWaalsContact CE1-CE1 3.5Å; Y72-Y74 AromaticContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CE2 3.94Å; Y72-Y74 HydrophobicContact CE1-CG 4.36Å; Y72-Y74 AromaticContact CE1-CZ 3.48Å; Y72-Y74 VanDerWaalsContact CE1-CZ 3.48Å; Y74-F76 VanDerWaalsContact CB-CE2 3.41Å; Y74-F76 HydrophobicContact CG-CE2 4.48Å; Y74-F76 HydrophobicContact CG-CZ 4.36Å; Y74-I85 HydrophobicContact CD1-CD1 3.35Å; Y74-I85 HydrophobicContact CD1-CG1 3.6Å; Y74-I85 HydrophobicContact CD2-CD1 4.47Å; Y74-I85 HydrophobicContact CE1-CD1 3.71Å; Y74-I85 HydrophobicContact CE1-CG1 4.27Å; Y74-I85 HydrophobicContact CG-CD1 3.78Å; Y74-I85 HydrophobicContact CG-CG1 4.19Å; Y74-T86 CarbonylContact C-O 3.29Å; Y74-T86 WeakPolarHBondContact CA-O 3.29Å; Y74-I108 CarbonylContact O-C 3.55Å; Y74-I108 WeakPolarHBondContact O-CA 3.41Å; Y74-K109 PolarHBondContact N-O 3.35Å; Y74-K109 PolarHBondContact O-N 3.25Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; Y74-V119 HydrophobicContact CE2-CG1 3.93Å
75	L	97.5	Very high	91.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.8	171.5	-63.3	-178.2	0	0	0	109.4	L27 V58 I85 T86 L88 F97 F102 I105 I108	L27-L75 HydrophobicContact CD2-CD2 3.58Å; V58-L75 HydrophobicContact CG1-CD1 4.15Å; V58-L75 HydrophobicContact CG2-CD1 4.23Å; L75-I85 VanDerWaalsContact O-CA 3.32Å; L75-I85 WeakPolarHBondContact O-CA 3.3Å; L75-T86 PolarHBondContact N-O 2.69Å; L75-T86 PolarHBondContact O-N 2.92Å; L75-L88 HydrophobicContact CD1-CD1 3.97Å; L75-L88 HydrophobicContact CG-CD1 4.23Å; L75-F97 HydrophobicContact CD1-CD2 4.42Å; L75-F97 HydrophobicContact CD1-CE2 3.51Å; L75-F97 HydrophobicContact CD1-CZ 3.67Å; L75-F102 HydrophobicContact CB-CE2 4.29Å; L75-F102 HydrophobicContact CB-CZ 3.87Å; L75-F102 WeakPolarHBondContact O-CZ 2.77Å; L75-I105 HydrophobicContact CD1-CD1 3.83Å; L75-I105 HydrophobicContact CD1-CG1 4.33Å; L75-I105 HydrophobicContact CD2-CD1 4.11Å; L75-I105 HydrophobicContact CD2-CG1 4.47Å; L75-I105 HydrophobicContact CD2-CG2 3.9Å; L75-I105 HydrophobicContact CG-CD1 4.48Å; L75-I108 HydrophobicContact CD2-CB 4.4Å; L75-I108 HydrophobicContact CD2-CD1 4.23Å; L75-I108 HydrophobicContact CD2-CG1 3.78Å; L75-I108 HydrophobicContact CD2-CG2 4.13Å
76	F	97.4	Very high	92.5	Very high	16 Å²	16	71 Å²	71	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.2	-178.1	-63.1	-91.7	0	0	0	111.1	Y74 N78 Y81 R84 I85 I105 S106 S107 K109	Y74-F76 VanDerWaalsContact CB-CE2 3.41Å; Y74-F76 HydrophobicContact CG-CE2 4.48Å; Y74-F76 HydrophobicContact CG-CZ 4.36Å; F76-N78 VanDerWaalsContact C-N 3.26Å; F76-N78 PolarHBondContact O-N 2.97Å; F76-Y81 HydrophobicContact CD2-CD1 4.13Å; F76-Y81 WeakPolarHBondContact CE1-O 3.49Å; F76-Y81 HydrophobicContact CE2-CD1 4.14Å; F76-Y81 HydrophobicContact CE2-CG 4.42Å; F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.49Å; F76-I85 HydrophobicContact CD1-CB 4.29Å; F76-I85 HydrophobicContact CD1-CD1 4.45Å; F76-I85 HydrophobicContact CD1-CG1 4.16Å; F76-I85 HydrophobicContact CE1-CB 4.13Å; F76-I85 HydrophobicContact CE1-CD1 3.53Å; F76-I85 HydrophobicContact CE1-CG1 3.7Å; F76-I85 HydrophobicContact CZ-CD1 3.63Å; F76-I85 HydrophobicContact CZ-CG1 3.97Å; F76-I105 CarbonylContact O-C 3.52Å; F76-I105 WeakPolarHBondContact O-CA 3.06Å; F76-S106 PolarHBondContact O-N 2.72Å; F76-S107 WeakPolarHBondContact CB-OG 3.3Å; F76-S107 PolarHBondContact N-O 3.41Å; F76-S107 PolarHBondContact O-N 2.61Å; F76-K109 HydrophobicContact CE2-CB 3.75Å
77	D	97.5	Very high	93.5	Very high	50 Å²	50	67.7 Å²	67.7	27%	0.267	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-13.9	176.4	74.1	-12.5	0	0	0	113.5	G83 R84 F102 G104 S106	D77-G83 VanDerWaalsContact OD1-CA 3.26Å; D77-G83 WeakPolarHBondContact OD1-CA 3.24Å; D77-R84 HydrophobicContact CB-CB 4.28Å; D77-R84 PolarHBondContact N-O 2.82Å; D77-R84 PolarHBondContact OD1-N 2.7Å; D77-R84 WeakPolarHBondContact OD2-CB 3.35Å; D77-R84 WeakPolarHBondContact OD2-CD 3.16Å; D77-R84 VanDerWaalsContact OD2-CG 3.27Å; D77-R84 WeakPolarHBondContact OD2-CG 3.4Å; D77-F102 HydrophobicContact CB-CB 3.82Å; D77-F102 HydrophobicContact CB-CD1 4.3Å; D77-F102 HydrophobicContact CB-CD2 3.68Å; D77-F102 HydrophobicContact CB-CE2 4.28Å; D77-F102 HydrophobicContact CB-CG 3.68Å; D77-G104 WeakPolarHBondContact CA-O 3.46Å; D77-S106 WeakPolarHBondContact O-CB 3Å; D77-S106 PolarHBondContact O-OG 2.85Å
78	N	97.3	Very high	94.8	Very high	80 Å²	80	59 Å²	59	43%	0.428	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	162.5	176.2	-157.7	-1	0	0	0	112.1	F76 T82 S107	F76-N78 VanDerWaalsContact C-N 3.26Å; F76-N78 PolarHBondContact O-N 2.97Å; N78-T82 WeakPolarHBondContact CB-O 3.4Å; N78-T82 PolarHBondContact N-O 2.53Å; N78-S107 PolarHBondContact O-N 3.34Å; N78-S107 PolarHBondContact O-OG 2.83Å
79	V	95.4	Very high	95.6	Very high	44 Å²	44	52.1 Å²	52.1	27%	0.267	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.8	166.1	178.9	-60.1	0	0	0	0	111.3	S48 Y81 T82	S48-V79 WeakPolarHBondContact OG-CG1 3.27Å; V79-Y81 PolarHBondContact O-N 3.1Å; V79-T82 PolarHBondContact O-N 2.01Å; V79-T82 PolarHBondContact O-OG1 3.47Å
80	N	95.9	Very high	96	Very high	115 Å²	115	49 Å²	49	62%	0.615	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	55.9	30.9	177.4	-58.6	-52.8	0	0	0	114.3	G47	G47-N80 PolarHBondContact O-N 2.71Å
81	Y	95.7	Very high	96.2	Very high	58 Å²	58	45.9 Å²	45.9	23%	0.227	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	63.4	45.8	176.6	-37.5	-60.9	0	0	0	112.9	S45 V46 G47 F76 V79 S107 I108 K109	S45-Y81 WeakPolarHBondContact CB-OH 3.32Å; V46-Y81 WeakPolarHBondContact O-CE1 3.25Å; G47-Y81 PolarHBondContact N-OH 2.81Å; F76-Y81 HydrophobicContact CD2-CD1 4.13Å; F76-Y81 WeakPolarHBondContact CE1-O 3.49Å; F76-Y81 HydrophobicContact CE2-CD1 4.14Å; F76-Y81 HydrophobicContact CE2-CG 4.42Å; V79-Y81 PolarHBondContact O-N 3.1Å; Y81-S107 VanDerWaalsContact CA-OG 3.29Å; Y81-S107 WeakPolarHBondContact CA-OG 3.43Å; Y81-S107 PolarHBondContact N-OG 3.35Å; Y81-I108 VanDerWaalsContact CE1-O 3.23Å; Y81-I108 WeakPolarHBondContact CE1-O 3.4Å; Y81-K109 HydrophobicContact CD1-CB 3.73Å; Y81-K109 HydrophobicContact CD1-CD 4.39Å; Y81-K109 HydrophobicContact CD1-CG 4.17Å; Y81-K109 HydrophobicContact CD2-CD 4.4Å; Y81-K109 HydrophobicContact CE1-CB 4.02Å; Y81-K109 HydrophobicContact CE1-CG 4.3Å; Y81-K109 HydrophobicContact CG-CB 4.3Å; Y81-K109 HydrophobicContact CG-CD 4.12Å; Y81-K109 HydrophobicContact CG-CG 4.38Å
82	T	96.4	Very high	96.3	Very high	64 Å²	64	48.7 Å²	48.7	39%	0.393	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	169.2	-178	65.3	0	0	0	0	111.7	N78 V79	N78-T82 WeakPolarHBondContact CB-O 3.4Å; N78-T82 PolarHBondContact N-O 2.53Å; V79-T82 PolarHBondContact O-N 2.01Å; V79-T82 PolarHBondContact O-OG1 3.47Å
83	G	96.6	Very high	96.4	Very high	57 Å²	57	49.1 Å²	49.1	59%	0.588	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	86.4	-149.7	178	0	0	0	0	0	113.5	D77	D77-G83 VanDerWaalsContact OD1-CA 3.26Å; D77-G83 WeakPolarHBondContact OD1-CA 3.24Å
84	R	97.5	Very high	96.4	Very high	157 Å²	157	51 Å²	51	59%	0.592	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.9	176.2	-63.6	-179.3	177.6	-158.8	-2	109.7	F76 D77 G101 F102	F76-R84 VanDerWaalsContact CA-O 3.31Å; F76-R84 WeakPolarHBondContact CA-O 3.49Å; D77-R84 HydrophobicContact CB-CB 4.28Å; D77-R84 PolarHBondContact N-O 2.82Å; D77-R84 PolarHBondContact OD1-N 2.7Å; D77-R84 WeakPolarHBondContact OD2-CB 3.35Å; D77-R84 WeakPolarHBondContact OD2-CD 3.16Å; D77-R84 VanDerWaalsContact OD2-CG 3.27Å; D77-R84 WeakPolarHBondContact OD2-CG 3.4Å; R84-G101 WeakPolarHBondContact CD-O 3.44Å; R84-G101 PolarHBondContact NH1-O 3.09Å; R84-F102 HydrophobicContact CB-CD1 3.63Å; R84-F102 HydrophobicContact CB-CE1 4.13Å; R84-F102 HydrophobicContact CB-CG 4.37Å
85	I	96.7	Very high	96.4	Very high	91 Å²	91	51.8 Å²	51.8	47%	0.467	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139	-173.5	-167.8	174.7	0	0	0	111.2	Y74 L75 F76	Y74-I85 HydrophobicContact CD1-CD1 3.35Å; Y74-I85 HydrophobicContact CD1-CG1 3.6Å; Y74-I85 HydrophobicContact CD2-CD1 4.47Å; Y74-I85 HydrophobicContact CE1-CD1 3.71Å; Y74-I85 HydrophobicContact CE1-CG1 4.27Å; Y74-I85 HydrophobicContact CG-CD1 3.78Å; Y74-I85 HydrophobicContact CG-CG1 4.19Å; L75-I85 VanDerWaalsContact O-CA 3.32Å; L75-I85 WeakPolarHBondContact O-CA 3.3Å; F76-I85 HydrophobicContact CD1-CB 4.29Å; F76-I85 HydrophobicContact CD1-CD1 4.45Å; F76-I85 HydrophobicContact CD1-CG1 4.16Å; F76-I85 HydrophobicContact CE1-CB 4.13Å; F76-I85 HydrophobicContact CE1-CD1 3.53Å; F76-I85 HydrophobicContact CE1-CG1 3.7Å; F76-I85 HydrophobicContact CZ-CD1 3.63Å; F76-I85 HydrophobicContact CZ-CG1 3.97Å
86	T	97.3	Very high	96.4	Very high	24 Å²	24	53 Å²	53	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.4	168.1	-64	0	0	0	0	108.8	Y74 L75 L88 I94 F97 F102	Y74-T86 CarbonylContact C-O 3.29Å; Y74-T86 WeakPolarHBondContact CA-O 3.29Å; L75-T86 PolarHBondContact N-O 2.69Å; L75-T86 PolarHBondContact O-N 2.92Å; T86-L88 HydrophobicContact CG2-CD1 3.98Å; T86-I94 HydrophobicContact CG2-CD1 3.45Å; T86-I94 VanDerWaalsContact CG2-CD1 3.45Å; T86-F97 HydrophobicContact CG2-CE2 4.28Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.3Å
87	G	96.2	Very high	96.4	Very high	32 Å²	32	52.3 Å²	52.3	33%	0.33	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.2	178.5	0	0	0	0	0	111.7	W73	W73-G87 CarbonylContact O-C 3.55Å; W73-G87 WeakPolarHBondContact O-CA 3.32Å
88	L	97.1	Very high	96.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.4	174.8	-61.6	92.3	0	0	0	109.8	V58 V60 Y72 W73 L75 T86 I94	V58-L88 HydrophobicContact CB-CD2 4.2Å; V58-L88 HydrophobicContact CG1-CD1 4.47Å; V58-L88 HydrophobicContact CG1-CD2 3.93Å; V60-L88 HydrophobicContact CG2-CB 3.65Å; Y72-L88 CarbonylContact C-O 3.26Å; Y72-L88 WeakPolarHBondContact CA-O 3.41Å; W73-L88 PolarHBondContact N-O 2.97Å; W73-L88 PolarHBondContact O-N 2.86Å; L75-L88 HydrophobicContact CD1-CD1 3.97Å; L75-L88 HydrophobicContact CG-CD1 4.23Å; T86-L88 HydrophobicContact CG2-CD1 3.98Å; L88-I94 HydrophobicContact CD1-CD1 4.11Å; L88-I94 HydrophobicContact CD2-CD1 3.87Å; L88-I94 HydrophobicContact CD2-CG1 3.88Å; L88-I94 HydrophobicContact CG-CD1 3.99Å; L88-I94 HydrophobicContact CG-CG1 4.41Å
89	G	94.8	Very high	95.9	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	168.6	170	0	0	0	0	0	111.7	V60 T92	V60-G89 WeakPolarHBondContact CB-O 3.32Å; G89-T92 WeakPolarHBondContact O-CB 3.44Å; G89-T92 PolarHBondContact O-N 2.88Å; G89-T92 VanDerWaalsContact O-N 3.11Å; G89-T92 PolarHBondContact O-OG1 2.94Å; G89-T92 VanDerWaalsContact O-OG1 3.12Å
90	H	93.8	Very high	95.3	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.106	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	140.9	173.6	80.6	114.9	0	0	0	112.9	F62 V63 R70 P71 T92	F62-H90 AromaticContact CD2-CE1 3.8Å; F62-H90 AromaticContact CD2-ND1 3.56Å; F62-H90 AromaticContact CE2-CE1 3.45Å; F62-H90 VanDerWaalsContact CE2-CE1 3.45Å; F62-H90 WeakPolarHBondContact CE2-CE1 3.49Å; F62-H90 AromaticContact CE2-ND1 3.68Å; V63-H90 PolarHBondContact O-ND1 3Å; R70-H90 HydrophobicContact CB-CB 4.37Å; R70-H90 WeakPolarHBondContact CD-CD2 3.13Å; R70-H90 VanDerWaalsContact CD-CE1 3.4Å; R70-H90 WeakPolarHBondContact CD-CE1 3.43Å; R70-H90 WeakPolarHBondContact CD-NE2 3.31Å; R70-H90 PolarHBondContact NH1-CE1 2.82Å; R70-H90 PolarHBondContact NH1-NE2 3.18Å; P71-H90 HydrophobicContact CG-CB 3.85Å; P71-H90 PolarHBondContact O-N 2.76Å; P71-H90 VanDerWaalsContact O-N 3.09Å; H90-T92 PolarHBondContact O-N 3.48Å
91	G	93.8	Very high	94.9	Very high	42 Å²	42	52.7 Å²	52.7	43%	0.433	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	4	-178.7	0	0	0	0	0	115.2	V60 P61	V60-G91 VanDerWaalsContact O-CA 3.3Å; V60-G91 WeakPolarHBondContact O-CA 3.39Å; V60-G91 PolarHBondContact O-N 3.2Å; P61-G91 PolarHBondContact O-N 2.8Å
92	T	96.1	Very high	94.8	Very high	63 Å²	63	50.7 Å²	50.7	39%	0.387	31%	0.306	S	S	.	.			trans	-95.2	135.7	177.7	-51.8	0	0	0	0	110	C59 V60 G89 H90	C59-T92 WeakPolarHBondContact CA-O 3.31Å; V60-T92 PolarHBondContact N-O 2.81Å; G89-T92 WeakPolarHBondContact O-CB 3.44Å; G89-T92 PolarHBondContact O-N 2.88Å; G89-T92 VanDerWaalsContact O-N 3.11Å; G89-T92 PolarHBondContact O-OG1 2.94Å; G89-T92 VanDerWaalsContact O-OG1 3.12Å; H90-T92 PolarHBondContact O-N 3.48Å
93	C	97.1	Very high	94.7	Very high	51 Å²	51	54.2 Å²	54.2	35%	0.345	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.1	170.8	-69.1	0	0	0	0	110.4	E35 V58 C59	E35-C93 WeakPolarHBondContact OE1-CB 3.2Å; V58-C93 CarbonylContact O-C 3.5Å; V58-C93 VanDerWaalsContact O-CA 3.29Å; V58-C93 WeakPolarHBondContact O-CA 3.43Å; C59-C93 HydrophobicContact CB-CB 4.2Å; C59-C93 WeakPolarHBondContact CB-SG 3.33Å; C59-C93 WeakPolarHBondContact SG-CB 3.27Å; C59-C93 CovalentContact SG-SG 2.04Å; C59-C93 PolarHBondContact SG-SG 2.94Å
94	I	97.5	Very high	94.6	Very high	39 Å²	39	52.5 Å²	52.5	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	99.4	167.2	-60	174.4	0	0	0	106.3	S57 V58 T86 L88 D96 F97	S57-I94 VanDerWaalsContact CA-O 3.24Å; S57-I94 WeakPolarHBondContact CA-O 3.07Å; S57-I94 WeakPolarHBondContact CB-O 3.27Å; V58-I94 PolarHBondContact N-O 2.05Å; V58-I94 PolarHBondContact O-N 2.89Å; T86-I94 HydrophobicContact CG2-CD1 3.45Å; T86-I94 VanDerWaalsContact CG2-CD1 3.45Å; L88-I94 HydrophobicContact CD1-CD1 4.11Å; L88-I94 HydrophobicContact CD2-CD1 3.87Å; L88-I94 HydrophobicContact CD2-CG1 3.88Å; L88-I94 HydrophobicContact CG-CD1 3.99Å; L88-I94 HydrophobicContact CG-CG1 4.41Å; I94-D96 PolarHBondContact O-N 2.88Å; I94-F97 HydrophobicContact CB-CD2 4.48Å; I94-F97 HydrophobicContact CD1-CD2 4.15Å; I94-F97 HydrophobicContact CD1-CE2 4.37Å; I94-F97 HydrophobicContact CG2-CB 4.36Å; I94-F97 HydrophobicContact CG2-CD2 4.21Å
95	D	97.3	Very high	94.6	Very high	72 Å²	72	45 Å²	45	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-61.1	-31.3	-173.3	-55.5	2.5	0	0	0	113.3	T33 Y34 S57	T33-D95 CarbonylContact C-O 3.46Å; T33-D95 WeakPolarHBondContact CA-O 3.23Å; T33-D95 WeakPolarHBondContact CB-O 3.44Å; Y34-D95 HydrophobicContact CD1-CB 3.53Å; Y34-D95 HydrophobicContact CE1-CB 3.6Å; Y34-D95 HydrophobicContact CG-CB 4.2Å; Y34-D95 PolarHBondContact N-O 3.49Å; S57-D95 WeakPolarHBondContact CB-O 3.08Å
96	D	96.9	Very high	94.6	Very high	26 Å²	26	41.2 Å²	41.2	14%	0.139	25%	0.252	C	S	.	.			trans	-133.7	86.4	176.1	-172.1	-14.4	0	0	0	109.8	T33 I94 T98 K99	T33-D96 HydrophobicContact CG2-CB 4.14Å; I94-D96 PolarHBondContact O-N 2.88Å; D96-T98 PolarHBondContact O-N 2.76Å; D96-T98 WeakPolarHBondContact OD1-CB 3.06Å; D96-T98 PolarHBondContact OD1-N 2.82Å; D96-T98 VanDerWaalsContact OD1-N 3.15Å; D96-T98 PolarHBondContact OD1-OG1 3.44Å; D96-K99 PolarHBondContact O-N 3.42Å; D96-K99 PolarHBondContact OD1-N 3.01Å; D96-K99 WeakPolarHBondContact OD2-CD 3.31Å; D96-K99 WeakPolarHBondContact OD2-CE 3.35Å; D96-K99 WeakPolarHBondContact OD2-CG 3.34Å; D96-K99 IonicContact OD2-NZ 3.59Å; D96-K99 PolarHBondContact OD2-NZ 2.84Å
97	F	97	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.1	-22.4	179.6	-168.4	-98.8	0	0	0	112	G56 V58 L75 T86 I94 K99 S100 F102 I105	G56-F97 PolarHBondContact O-N 2.81Å; V58-F97 HydrophobicContact CB-CD2 4.39Å; V58-F97 HydrophobicContact CG2-CB 4.14Å; V58-F97 HydrophobicContact CG2-CD1 4.47Å; V58-F97 HydrophobicContact CG2-CD2 3.7Å; V58-F97 HydrophobicContact CG2-CE2 4.25Å; V58-F97 HydrophobicContact CG2-CG 3.83Å; L75-F97 HydrophobicContact CD1-CD2 4.42Å; L75-F97 HydrophobicContact CD1-CE2 3.51Å; L75-F97 HydrophobicContact CD1-CZ 3.67Å; T86-F97 HydrophobicContact CG2-CE2 4.28Å; I94-F97 HydrophobicContact CB-CD2 4.48Å; I94-F97 HydrophobicContact CD1-CD2 4.15Å; I94-F97 HydrophobicContact CD1-CE2 4.37Å; I94-F97 HydrophobicContact CG2-CB 4.36Å; I94-F97 HydrophobicContact CG2-CD2 4.21Å; F97-K99 PolarHBondContact O-N 3.46Å; F97-S100 WeakPolarHBondContact CE2-OG 3.25Å; F97-S100 WeakPolarHBondContact O-CA 2.83Å; F97-S100 WeakPolarHBondContact O-CB 3.43Å; F97-S100 PolarHBondContact O-N 3.49Å; F97-S100 PolarHBondContact O-OG 2.98Å; F97-F102 HydrophobicContact CE1-CD2 4.27Å; F97-F102 HydrophobicContact CE1-CE2 4.13Å; F97-F102 WeakPolarHBondContact CE1-O 3.38Å; F97-F102 HydrophobicContact CZ-CD2 4.12Å; F97-F102 AromaticContact CZ-CE2 3.62Å; F97-F102 HydrophobicContact CZ-CE2 3.62Å; F97-F102 AromaticContact CZ-CZ 3.94Å; F97-F102 HydrophobicContact CZ-CZ 3.94Å; F97-I105 HydrophobicContact CD1-CD1 4.49Å; F97-I105 HydrophobicContact CE1-CD1 3.82Å; F97-I105 HydrophobicContact CE1-CG1 3.75Å; F97-I105 HydrophobicContact CZ-CD1 4.03Å; F97-I105 HydrophobicContact CZ-CG1 3.94Å
98	T	92.5	Very high	94.6	Very high	59 Å²	59	38.5 Å²	38.5	36%	0.362	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-68.8	-21.3	178.6	80.3	0	0	0	0	113	D96 K103	D96-T98 PolarHBondContact O-N 2.76Å; D96-T98 WeakPolarHBondContact OD1-CB 3.06Å; D96-T98 PolarHBondContact OD1-N 2.82Å; D96-T98 VanDerWaalsContact OD1-N 3.15Å; D96-T98 PolarHBondContact OD1-OG1 3.44Å; T98-K103 VanDerWaalsContact O-CE 3.31Å; T98-K103 WeakPolarHBondContact O-CE 3.44Å
99	K	92.5	Very high	94.6	Very high	166 Å²	166	40.5 Å²	40.5	72%	0.722	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-94.9	-0.9	170.9	-66.3	-178	-174.9	130.2	0	113.2	D96 F97	D96-K99 PolarHBondContact O-N 3.42Å; D96-K99 PolarHBondContact OD1-N 3.01Å; D96-K99 WeakPolarHBondContact OD2-CD 3.31Å; D96-K99 WeakPolarHBondContact OD2-CE 3.35Å; D96-K99 WeakPolarHBondContact OD2-CG 3.34Å; D96-K99 IonicContact OD2-NZ 3.59Å; D96-K99 PolarHBondContact OD2-NZ 2.84Å; F97-K99 PolarHBondContact O-N 3.46Å
100	S	82.6	Confident	94.6	Very high	25 Å²	25	43.4 Å²	43.4	18%	0.175	25%	0.246	C	C	.	.	S	Bend	trans	-69	165.4	167.9	88.2	0	0	0	0	109.6	F97 F102	F97-S100 WeakPolarHBondContact CE2-OG 3.25Å; F97-S100 WeakPolarHBondContact O-CA 2.83Å; F97-S100 WeakPolarHBondContact O-CB 3.43Å; F97-S100 PolarHBondContact O-N 3.49Å; F97-S100 PolarHBondContact O-OG 2.98Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-F102 PolarHBondContact OG-O 3.15Å
101	G	87.4	Confident	94.6	Very high	48 Å²	48	42.3 Å²	42.3	50%	0.495	24%	0.241	S	C	.	.	S	Bend	trans	-55.8	-11	-174.1	0	0	0	0	0	115.6	R84	R84-G101 WeakPolarHBondContact CD-O 3.44Å; R84-G101 PolarHBondContact NH1-O 3.09Å
102	F	94.7	Very high	94.6	Very high	16 Å²	16	41.9 Å²	41.9	7%	0.07	23%	0.228	C	C	.	.			trans	-153.5	157.7	171.4	57.1	-86.1	0	0	0	110.8	L75 D77 R84 T86 F97 S100 G104 I105	L75-F102 HydrophobicContact CB-CE2 4.29Å; L75-F102 HydrophobicContact CB-CZ 3.87Å; L75-F102 WeakPolarHBondContact O-CZ 2.77Å; D77-F102 HydrophobicContact CB-CB 3.82Å; D77-F102 HydrophobicContact CB-CD1 4.3Å; D77-F102 HydrophobicContact CB-CD2 3.68Å; D77-F102 HydrophobicContact CB-CE2 4.28Å; D77-F102 HydrophobicContact CB-CG 3.68Å; R84-F102 HydrophobicContact CB-CD1 3.63Å; R84-F102 HydrophobicContact CB-CE1 4.13Å; R84-F102 HydrophobicContact CB-CG 4.37Å; T86-F102 WeakPolarHBondContact OG1-CE1 3.3Å; F97-F102 HydrophobicContact CE1-CD2 4.27Å; F97-F102 HydrophobicContact CE1-CE2 4.13Å; F97-F102 WeakPolarHBondContact CE1-O 3.38Å; F97-F102 HydrophobicContact CZ-CD2 4.12Å; F97-F102 AromaticContact CZ-CE2 3.62Å; F97-F102 HydrophobicContact CZ-CE2 3.62Å; F97-F102 AromaticContact CZ-CZ 3.94Å; F97-F102 HydrophobicContact CZ-CZ 3.94Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-F102 PolarHBondContact OG-O 3.15Å; F102-G104 WeakPolarHBondContact CD2-O 3.39Å; F102-I105 HydrophobicContact CE2-CG1 4.07Å
103	K	93	Very high	94.3	Very high	137 Å²	137	41.2 Å²	41.2	60%	0.596	22%	0.22	S	C	*	.	S	Bend	trans	-101.1	-33.1	-177.8	-60.2	-173.8	179.7	-175.6	0	113.9	T98	T98-K103 VanDerWaalsContact O-CE 3.31Å; T98-K103 WeakPolarHBondContact O-CE 3.44Å
104	G	95.1	Very high	94	Very high	21 Å²	21	39.9 Å²	39.9	22%	0.216	21%	0.211	C	C	.	.			trans	-103	127	-175.5	0	0	0	0	0	111.6	W53 D77 F102	W53-G104 CarbonylContact O-C 3.57Å; W53-G104 WeakPolarHBondContact O-CA 3Å; D77-G104 WeakPolarHBondContact CA-O 3.46Å; F102-G104 WeakPolarHBondContact CD2-O 3.39Å
105	I	97.4	Very high	93.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-98.1	113.3	177.8	-58.9	161.7	0	0	0	108.1	L29 L49 P52 W53 L75 F76 F97 F102 I108	L29-I105 HydrophobicContact CD2-CD1 3.45Å; L29-I105 VanDerWaalsContact CD2-CD1 3.45Å; L49-I105 HydrophobicContact CD1-CG2 4.15Å; L49-I105 WeakPolarHBondContact CD1-O 3.48Å; P52-I105 CarbonylContact C-O 3.56Å; P52-I105 VanDerWaalsContact CA-O 3.29Å; P52-I105 WeakPolarHBondContact CA-O 3.22Å; W53-I105 HydrophobicContact CB-CB 4.48Å; W53-I105 PolarHBondContact N-O 2.93Å; W53-I105 PolarHBondContact O-N 2.75Å; L75-I105 HydrophobicContact CD1-CD1 3.83Å; L75-I105 HydrophobicContact CD1-CG1 4.33Å; L75-I105 HydrophobicContact CD2-CD1 4.11Å; L75-I105 HydrophobicContact CD2-CG1 4.47Å; L75-I105 HydrophobicContact CD2-CG2 3.9Å; L75-I105 HydrophobicContact CG-CD1 4.48Å; F76-I105 CarbonylContact O-C 3.52Å; F76-I105 WeakPolarHBondContact O-CA 3.06Å; F97-I105 HydrophobicContact CD1-CD1 4.49Å; F97-I105 HydrophobicContact CE1-CD1 3.82Å; F97-I105 HydrophobicContact CE1-CG1 3.75Å; F97-I105 HydrophobicContact CZ-CD1 4.03Å; F97-I105 HydrophobicContact CZ-CG1 3.94Å; F102-I105 HydrophobicContact CE2-CG1 4.07Å; I105-I108 HydrophobicContact CG2-CD1 4.08Å; I105-I108 HydrophobicContact CG2-CG1 3.58Å
106	S	97.1	Very high	93	Very high	11 Å²	11	49.4 Å²	49.4	8%	0.077	26%	0.255	C	S	.	.			trans	-103	-17.7	-178.8	-60.2	0	0	0	0	112.9	S48 L49 P52 F76 D77	S48-S106 CarbonylContact C-O 3.5Å; S48-S106 WeakPolarHBondContact CA-O 3.48Å; L49-S106 PolarHBondContact N-O 3.27Å; P52-S106 WeakPolarHBondContact CG-OG 3.46Å; F76-S106 PolarHBondContact O-N 2.72Å; D77-S106 WeakPolarHBondContact O-CB 3Å; D77-S106 PolarHBondContact O-OG 2.85Å
107	S	96.8	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.8	166.7	62.7	0	0	0	0	112.4	V46 F76 N78 Y81	V46-S107 CarbonylContact O-C 3.6Å; V46-S107 VanDerWaalsContact O-CA 3.3Å; V46-S107 WeakPolarHBondContact O-CA 3.4Å; V46-S107 WeakPolarHBondContact O-CB 3.36Å; F76-S107 WeakPolarHBondContact CB-OG 3.3Å; F76-S107 PolarHBondContact N-O 3.41Å; F76-S107 PolarHBondContact O-N 2.61Å; N78-S107 PolarHBondContact O-N 3.34Å; N78-S107 PolarHBondContact O-OG 2.83Å; Y81-S107 VanDerWaalsContact CA-OG 3.29Å; Y81-S107 WeakPolarHBondContact CA-OG 3.43Å; Y81-S107 PolarHBondContact N-OG 3.35Å
108	I	96.6	Very high	92.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.7	-174.5	-58.1	178.3	0	0	0	108.5	L27 V42 S45 V46 L49 W53 W73 Y74 L75 Y81 I105	L27-I108 HydrophobicContact CD2-CD1 4.26Å; L27-I108 HydrophobicContact CD2-CG2 3.83Å; V42-I108 HydrophobicContact CG1-CD1 4.33Å; V42-I108 HydrophobicContact CG1-CG2 4.28Å; V42-I108 HydrophobicContact CG2-CD1 4.12Å; S45-I108 CarbonylContact C-O 3.38Å; S45-I108 WeakPolarHBondContact CA-O 3.2Å; S45-I108 VanDerWaalsContact CB-O 3.26Å; S45-I108 WeakPolarHBondContact CB-O 3.17Å; V46-I108 HydrophobicContact CB-CB 4.48Å; V46-I108 PolarHBondContact N-O 3.27Å; V46-I108 PolarHBondContact O-N 3.48Å; L49-I108 HydrophobicContact CD1-CD1 4Å; L49-I108 HydrophobicContact CD1-CG1 4.17Å; W53-I108 HydrophobicContact CE3-CD1 4.37Å; W53-I108 HydrophobicContact CZ3-CD1 4.4Å; W73-I108 HydrophobicContact CE3-CG2 3.52Å; W73-I108 HydrophobicContact CZ3-CG2 3.65Å; Y74-I108 CarbonylContact O-C 3.55Å; Y74-I108 WeakPolarHBondContact O-CA 3.41Å; L75-I108 HydrophobicContact CD2-CB 4.4Å; L75-I108 HydrophobicContact CD2-CD1 4.23Å; L75-I108 HydrophobicContact CD2-CG1 3.78Å; L75-I108 HydrophobicContact CD2-CG2 4.13Å; Y81-I108 VanDerWaalsContact CE1-O 3.23Å; Y81-I108 WeakPolarHBondContact CE1-O 3.4Å; I105-I108 HydrophobicContact CG2-CD1 4.08Å; I105-I108 HydrophobicContact CG2-CG1 3.58Å
109	K	95.9	Very high	92.3	Very high	42 Å²	42	55.3 Å²	55.3	18%	0.183	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.7	177.4	-158.7	177.2	-168.4	-175.6	0	110.6	Y74 F76 Y81 C121	Y74-K109 PolarHBondContact N-O 3.35Å; Y74-K109 PolarHBondContact O-N 3.25Å; F76-K109 HydrophobicContact CE2-CB 3.75Å; Y81-K109 HydrophobicContact CD1-CB 3.73Å; Y81-K109 HydrophobicContact CD1-CD 4.39Å; Y81-K109 HydrophobicContact CD1-CG 4.17Å; Y81-K109 HydrophobicContact CD2-CD 4.4Å; Y81-K109 HydrophobicContact CE1-CB 4.02Å; Y81-K109 HydrophobicContact CE1-CG 4.3Å; Y81-K109 HydrophobicContact CG-CB 4.3Å; Y81-K109 HydrophobicContact CG-CD 4.12Å; Y81-K109 HydrophobicContact CG-CG 4.38Å; K109-C121 HydrophobicContact CD-CB 4Å; K109-C121 HydrophobicContact CG-CB 4.44Å
110	R	95.1	Very high	92.3	Very high	71 Å²	71	51 Å²	51	27%	0.268	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.1	170.2	-172	175.5	173.9	-168.3	-6.7	109.9	Y43 S45 W73 I122	Y43-R110 WeakPolarHBondContact O-CD 3.49Å; Y43-R110 PolarHBondContact O-NH1 3.47Å; S45-R110 PolarHBondContact OG-N 3.47Å; W73-R110 HydrophobicContact CD2-CB 4.43Å; W73-R110 HydrophobicContact CD2-CG 4.37Å; W73-R110 HydrophobicContact CE3-CB 3.96Å; W73-R110 HydrophobicContact CE3-CG 4.37Å; W73-R110 HydrophobicContact CH2-CB 3.72Å; W73-R110 HydrophobicContact CH2-CG 3.76Å; W73-R110 HydrophobicContact CZ2-CB 4.17Å; W73-R110 HydrophobicContact CZ2-CG 3.71Å; W73-R110 HydrophobicContact CZ3-CB 3.61Å; W73-R110 HydrophobicContact CZ3-CG 4.1Å; R110-I122 PolarHBondContact O-N 3.27Å
111	C	95.3	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	177.9	176.3	-49	0	0	0	0	109.2	Y72 Y74 V119 E120 C121	Y72-C111 PolarHBondContact N-O 2.77Å; Y72-C111 VanDerWaalsContact N-O 3.14Å; Y72-C111 CarbonylContact O-C 3.57Å; Y72-C111 VanDerWaalsContact O-C 3.26Å; Y72-C111 VanDerWaalsContact O-CA 3.27Å; Y72-C111 WeakPolarHBondContact O-CA 2.94Å; Y72-C111 WeakPolarHBondContact O-CB 3.37Å; Y72-C111 PolarHBondContact O-N 3.34Å; Y74-C111 VanDerWaalsContact CD2-SG 3.54Å; C111-V119 HydrophobicContact CB-CG1 3.77Å; C111-E120 CarbonylContact C-O 3.58Å; C111-E120 WeakPolarHBondContact CA-O 3.14Å; C111-E120 VanDerWaalsContact CB-O 3.31Å; C111-E120 WeakPolarHBondContact CB-O 3.43Å; C111-C121 HydrophobicContact CB-CB 3.93Å; C111-C121 WeakPolarHBondContact CB-SG 3.45Å; C111-C121 VanDerWaalsContact SG-CA 3.52Å; C111-C121 WeakPolarHBondContact SG-CB 3.39Å; C111-C121 CovalentContact SG-SG 2.05Å; C111-C121 PolarHBondContact SG-SG 3.11Å
112	I	92.2	Very high	92.3	Very high	33 Å²	33	53.5 Å²	53.5	17%	0.169	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145	175.6	47.6	164.4	0	0	0	107.6	E69 R70 V119 E120	E69-I112 HydrophobicContact CB-CB 4.09Å; E69-I112 HydrophobicContact CB-CG2 4.38Å; E69-I112 WeakPolarHBondContact OE2-CD1 3.43Å; R70-I112 CarbonylContact O-C 3.6Å; R70-I112 WeakPolarHBondContact O-CA 3.06Å; I112-V119 CarbonylContact O-C 3.55Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.4Å; I112-E120 HydrophobicContact CD1-CB 4.14Å; I112-E120 HydrophobicContact CG1-CB 3.97Å; I112-E120 WeakPolarHBondContact CG1-O 3.19Å; I112-E120 PolarHBondContact N-O 3.19Å; I112-E120 PolarHBondContact O-N 3.32Å
113	Q	91	Very high	91	Very high	48 Å²	48	59.1 Å²	59.1	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.8	168.9	-171	176.6	35.4	0	0	108.2	R70 Y72 G117 K118 V119	R70-Q113 HydrophobicContact CB-CB 4.47Å; R70-Q113 PolarHBondContact N-O 3.36Å; R70-Q113 PolarHBondContact O-N 3.39Å; Y72-Q113 HydrophobicContact CD2-CB 4.42Å; Q113-G117 PolarHBondContact NE2-O 2.78Å; Q113-K118 CarbonylContact C-O 3.53Å; Q113-K118 WeakPolarHBondContact CA-O 3.29Å; Q113-V119 HydrophobicContact CB-CG2 4.4Å; Q113-V119 HydrophobicContact CG-CG2 4.23Å
114	T	89.5	Confident	89.3	Confident	23 Å²	23	56.1 Å²	56.1	14%	0.141	29%	0.292	C	S	.	.			trans	-70.4	166.1	176.7	72	0	0	0	0	110.3	D116 G117 K118 E120	T114-D116 PolarHBondContact O-N 2.04Å; T114-G117 PolarHBondContact O-N 2.93Å; T114-K118 PolarHBondContact N-O 3.46Å; T114-K118 PolarHBondContact OG1-N 3.12Å; T114-K118 PolarHBondContact OG1-O 3.2Å; T114-E120 HydrophobicContact CG2-CG 4.35Å
115	K	86.3	Confident	87	Confident	154 Å²	154	60.7 Å²	60.7	67%	0.67	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.1	177.8	-66.3	-176.2	177.7	-174.5	0	113	T66 G117	T66-K115 WeakPolarHBondContact O-CE 3.21Å; T66-K115 PolarHBondContact O-NZ 2.97Å; K115-G117 PolarHBondContact O-N 2.7Å
116	D	88.2	Confident	84.5	Confident	157 Å²	157	70.2 Å²	70.2	84%	0.84	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	3	177.4	-51.6	-37.1	0	0	0	112.6	T114 K118	T114-D116 PolarHBondContact O-N 2.04Å; D116-K118 VanDerWaalsContact C-N 3.35Å; D116-K118 PolarHBondContact O-N 2.8Å
117	G	86.9	Confident	81.9	Confident	40 Å²	40	80.7 Å²	80.7	41%	0.412	40%	0.397	S	S	.	.	S	Bend	trans	86.9	-4.4	177.1	0	0	0	0	0	115	Q113 T114 K115	Q113-G117 PolarHBondContact NE2-O 2.78Å; T114-G117 PolarHBondContact O-N 2.93Å; K115-G117 PolarHBondContact O-N 2.7Å
118	K	92	Very high	78.8	Confident	127 Å²	127	91.6 Å²	91.6	55%	0.552	44%	0.439	S	S	*	.			trans	-68.5	135.1	177.2	-173.2	-175.1	177.8	-162.9	0	110.5	Q113 T114 D116 E120	Q113-K118 CarbonylContact C-O 3.53Å; Q113-K118 WeakPolarHBondContact CA-O 3.29Å; T114-K118 PolarHBondContact N-O 3.46Å; T114-K118 PolarHBondContact OG1-N 3.12Å; T114-K118 PolarHBondContact OG1-O 3.2Å; D116-K118 VanDerWaalsContact C-N 3.35Å; D116-K118 PolarHBondContact O-N 2.8Å; K118-E120 HydrophobicContact CD-CG 4.08Å; K118-E120 WeakPolarHBondContact CD-OE1 3.35Å; K118-E120 VanDerWaalsContact CE-OE1 3.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.5Å; K118-E120 HydrophobicContact CG-CG 4.19Å; K118-E120 IonicContact NZ-OE1 3.25Å; K118-E120 PolarHBondContact NZ-OE1 3.12Å
119	V	93.4	Very high	75.8	Confident	43 Å²	43	101.1 Å²	101.1	26%	0.261	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121	173.3	179.8	0	0	0	0	109.6	Y72 Y74 C111 I112 Q113	Y72-V119 HydrophobicContact CD1-CG1 3.7Å; Y72-V119 HydrophobicContact CD1-CG2 4.22Å; Y72-V119 HydrophobicContact CD2-CG2 3.85Å; Y72-V119 HydrophobicContact CE1-CG1 4.28Å; Y72-V119 HydrophobicContact CE1-CG2 4.42Å; Y72-V119 HydrophobicContact CE2-CG2 4.04Å; Y72-V119 HydrophobicContact CG-CG1 3.91Å; Y72-V119 HydrophobicContact CG-CG2 3.94Å; Y74-V119 HydrophobicContact CE2-CG1 3.93Å; C111-V119 HydrophobicContact CB-CG1 3.77Å; I112-V119 CarbonylContact O-C 3.55Å; I112-V119 VanDerWaalsContact O-CA 3.3Å; I112-V119 WeakPolarHBondContact O-CA 3.4Å; Q113-V119 HydrophobicContact CB-CG2 4.4Å; Q113-V119 HydrophobicContact CG-CG2 4.23Å
120	E	92.2	Very high	73.1	Confident	76 Å²	76	105.1 Å²	105.1	36%	0.355	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.9	176.8	-57.2	-165.9	157.1	0	0	109.9	C111 I112 T114 K118	C111-E120 CarbonylContact C-O 3.58Å; C111-E120 WeakPolarHBondContact CA-O 3.14Å; C111-E120 VanDerWaalsContact CB-O 3.31Å; C111-E120 WeakPolarHBondContact CB-O 3.43Å; I112-E120 HydrophobicContact CD1-CB 4.14Å; I112-E120 HydrophobicContact CG1-CB 3.97Å; I112-E120 WeakPolarHBondContact CG1-O 3.19Å; I112-E120 PolarHBondContact N-O 3.19Å; I112-E120 PolarHBondContact O-N 3.32Å; T114-E120 HydrophobicContact CG2-CG 4.35Å; K118-E120 HydrophobicContact CD-CG 4.08Å; K118-E120 WeakPolarHBondContact CD-OE1 3.35Å; K118-E120 VanDerWaalsContact CE-OE1 3.25Å; K118-E120 WeakPolarHBondContact CE-OE1 3.5Å; K118-E120 HydrophobicContact CG-CG 4.19Å; K118-E120 IonicContact NZ-OE1 3.25Å; K118-E120 PolarHBondContact NZ-OE1 3.12Å
121	C	91.3	Very high	70.2	Confident	43 Å²	43	110.2 Å²	110.2	29%	0.291	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	-175.8	-65.9	0	0	0	0	111.5	K109 C111 N123	K109-C121 HydrophobicContact CD-CB 4Å; K109-C121 HydrophobicContact CG-CB 4.44Å; C111-C121 HydrophobicContact CB-CB 3.93Å; C111-C121 WeakPolarHBondContact CB-SG 3.45Å; C111-C121 VanDerWaalsContact SG-CA 3.52Å; C111-C121 WeakPolarHBondContact SG-CB 3.39Å; C111-C121 CovalentContact SG-SG 2.05Å; C111-C121 PolarHBondContact SG-SG 3.11Å; C121-N123 PolarHBondContact O-N 2.8Å; C121-N123 VanDerWaalsContact O-N 3.08Å
122	I	77.8	Confident	67.2	Low	82 Å²	82	115.2 Å²	115.2	42%	0.421	56%	0.557	S	S	.	*			trans	-72.1	109.3	177.7	-53.4	170.5	0	0	0	106.7	R110 Q124	R110-I122 PolarHBondContact O-N 3.27Å; I122-Q124 PolarHBondContact O-N 3.26Å
123	N	67.6	Low	64.4	Low	133 Å²	133	125.4 Å²	125.4	71%	0.711	59%	0.593	S	S	*	*			trans	-62.9	111.2	167.9	-75.3	-31.9	0	0	0	106.9	C121	C121-N123 PolarHBondContact O-N 2.8Å; C121-N123 VanDerWaalsContact O-N 3.08Å
124	Q	58.8	Low	62.1	Low	75 Å²	75	135.9 Å²	135.9	35%	0.35	64%	0.638	S	S	.	*			trans	-57.1	131.7	169	-86.3	-168.8	-22.2	0	0	107.6	S45 I122 K126	S45-Q124 PolarHBondContact O-NE2 3.32Å; S45-Q124 PolarHBondContact O-OE1 2.97Å; I122-Q124 PolarHBondContact O-N 3.26Å; Q124-K126 PolarHBondContact O-N 3.23Å
125	P	46.6	Very low	60.7	Low	116 Å²	116	141.5 Å²	141.5	75%	0.753	66%	0.663	S	S	*	*			trans	-54.7	119.8	171.6	22.1	-30.3	0	0	0	105.9	R127	P125-R127 VanDerWaalsContact C-N 3.27Å; P125-R127 PolarHBondContact O-N 3.39Å
126	K	43.7	Very low	59.4	Low	201 Å²	201	140.8 Å²	140.8	87%	0.874	66%	0.663	S	S	*	*			trans	-52.3	101.3	172.5	-70.9	-178.2	180	178.2	0	105.1	Q124 R128	Q124-K126 PolarHBondContact O-N 3.23Å; K126-R128 PolarHBondContact O-N 2.71Å
127	R	42.1	Very low	57.8	Low	231 Å²	231	139.9 Å²	139.9	87%	0.872	65%	0.653	S	S	*	*			trans	-54.2	113.7	170.1	-94	-172.3	169.8	178.9	-3.7	103.7	P125 R129	P125-R127 VanDerWaalsContact C-N 3.27Å; P125-R127 PolarHBondContact O-N 3.39Å; R127-R129 PolarHBondContact O-N 3.39Å; R127-R129 VanDerWaalsContact O-N 3.07Å
128	R	33	Very low	56	Low	229 Å²	229	145.8 Å²	145.8	86%	0.864	67%	0.667	S	S	*	*			trans	-43.4	124.1	166.9	-79.5	-177.9	173.2	-179.7	-2.1	105.1	K126 T130	K126-R128 PolarHBondContact O-N 2.71Å; R128-T130 VanDerWaalsContact C-N 3.26Å; R128-T130 PolarHBondContact O-N 2.86Å
129	R	34.1	Very low	53.8	Low	200 Å²	200	147 Å²	147	76%	0.755	67%	0.674	S	S	*	*			trans	-53.7	98.9	173	-79.6	-177.8	-178.6	168.7	0.1	106.7	R127 Y131	R127-R129 PolarHBondContact O-N 3.39Å; R127-R129 VanDerWaalsContact O-N 3.07Å; R129-Y131 VanDerWaalsContact C-N 3.29Å; R129-Y131 HydrophobicContact CB-CD2 4.02Å; R129-Y131 HydrophobicContact CB-CE2 3.82Å; R129-Y131 PolarHBondContact NH1-OH 2.75Å; R129-Y131 VanDerWaalsContact NH1-OH 3.11Å; R129-Y131 PolarHBondContact O-N 3.17Å; R129-Y131 VanDerWaalsContact O-N 3.16Å
130	T	37.2	Very low	51.2	Low	126 Å²	126	153.9 Å²	153.9	77%	0.773	70%	0.702	S	S	*	*			trans	-75.2	99	157.9	-47.8	0	0	0	0	103.7	R128 C132	R128-T130 VanDerWaalsContact C-N 3.26Å; R128-T130 PolarHBondContact O-N 2.86Å; T130-C132 PolarHBondContact O-N 2.94Å
131	Y	34.4	Very low	48.2	Very low	177 Å²	177	159.5 Å²	159.5	69%	0.694	73%	0.727	S	S	*	*			trans	-61.9	104.1	166.5	-75.7	-95.2	0	0	0	106.6	R129 R133	R129-Y131 VanDerWaalsContact C-N 3.29Å; R129-Y131 HydrophobicContact CB-CD2 4.02Å; R129-Y131 HydrophobicContact CB-CE2 3.82Å; R129-Y131 PolarHBondContact NH1-OH 2.75Å; R129-Y131 VanDerWaalsContact NH1-OH 3.11Å; R129-Y131 PolarHBondContact O-N 3.17Å; R129-Y131 VanDerWaalsContact O-N 3.16Å; Y131-R133 PolarHBondContact O-N 3.38Å
132	C	32.3	Very low	44.9	Very low	105 Å²	105	168.5 Å²	168.5	71%	0.709	76%	0.76	S	S	*	*			trans	-71.4	106.2	158.5	-64.8	0	0	0	0	106	T130 F134	T130-C132 PolarHBondContact O-N 2.94Å; C132-F134 PolarHBondContact O-N 3.45Å
133	R	33.8	Very low	42.2	Very low	247 Å²	247	175.7 Å²	175.7	93%	0.932	79%	0.789	S	S	*	*			trans	-68.9	116.7	159.2	-113.6	177.7	178.7	168.6	-1.4	106.2	Y131	Y131-R133 PolarHBondContact O-N 3.38Å
134	F	42.5	Very low	39.9	Very low	268 Å²	268	179.5 Å²	179.5	100%	1.175	80%	0.796	S	S	*	*			trans	-77.8	0	149.2	-69.5	-81.9	0	0	0	108	C132	C132-F134 PolarHBondContact O-N 3.45Å

Retrieved 134 of 134 residues in 102.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).