G4VKM0_SCHMA Loading...

Structural protein

AlphaFold DB , UniProt , Accession G4VKM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

						>G4VKM0_SCHMA|G4VKM0
MGITSDSQNTLSVYYINSRSLINKTFELNLTVNGSSPNITGVTETWLTVNVNYSPVVEGYICIRSDGIINLKGGDTILYVGDHFGVTSTTPEVDDIGTCEIA
					

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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	40.9	Very low	62.2	Low	243 Å²	243	125.9 Å²	125.9	100%	1.197	72%	0.722	S	S	*	*				0	111.1	0	-83	171.7	179.1	0	0	106.8	I3	M1-I3 PolarHBondContact O-N 3.03Å
2	G	48.1	Very low	64.9	Low	68 Å²	68	119.7 Å²	119.7	70%	0.701	69%	0.692	S	S	*	*			trans	-65.5	132.6	178.3	0	0	0	0	0	109	T4	G2-T4 PolarHBondContact O-N 2.88Å
3	I	51.2	Low	67.3	Low	172 Å²	172	117.6 Å²	117.6	88%	0.882	68%	0.682	S	S	*	*			trans	-70.1	87.8	169.6	-38.1	173.2	0	0	0	104.6	M1 S5	M1-I3 PolarHBondContact O-N 3.03Å; I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.5Å
4	T	46.3	Very low	69.4	Low	124 Å²	124	113.5 Å²	113.5	76%	0.761	65%	0.65	S	S	*	*			trans	-65.7	104.7	165.2	48.3	0	0	0	0	104.7	G2 D6	G2-T4 PolarHBondContact O-N 2.88Å; T4-D6 PolarHBondContact O-N 3.36Å; T4-D6 VanDerWaalsContact O-N 3.09Å
5	S	50.8	Low	71.1	Confident	96 Å²	96	116.3 Å²	116.3	67%	0.671	65%	0.647	S	S	*	*			trans	-45.6	121.6	167.6	48.6	0	0	0	0	107.3	I3 S7	I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.5Å; S5-S7 PolarHBondContact O-N 3.3Å
6	D	56.2	Low	72.5	Confident	94 Å²	94	112.7 Å²	112.7	50%	0.503	63%	0.626	S	S	.	*			trans	-73	52.6	-171.9	-161.6	11.8	0	0	0	111	T4 Q8 N9 T10	T4-D6 PolarHBondContact O-N 3.36Å; T4-D6 VanDerWaalsContact O-N 3.09Å; D6-Q8 PolarHBondContact O-N 2.72Å; D6-N9 PolarHBondContact O-N 3.09Å; D6-N9 PolarHBondContact OD1-ND2 3.05Å; D6-N9 WeakPolarHBondContact OD2-CB 3.48Å; D6-N9 PolarHBondContact OD2-ND2 2.89Å; D6-T10 PolarHBondContact O-N 3.37Å
7	S	62.1	Low	73.6	Confident	87 Å²	87	109.5 Å²	109.5	61%	0.608	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-12.8	-176.5	58.2	0	0	0	0	112.5	S5 T10	S5-S7 PolarHBondContact O-N 3.3Å; S7-T10 WeakPolarHBondContact CA-OG1 3.24Å
8	Q	67.1	Low	74.6	Confident	183 Å²	183	103.8 Å²	103.8	86%	0.855	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-18.3	173.6	-67.4	-164.1	-29.4	0	0	113.4	D6	D6-Q8 PolarHBondContact O-N 2.72Å
9	N	82.1	Confident	75.3	Confident	128 Å²	128	108.1 Å²	108.1	68%	0.684	58%	0.582	S	S	*	*	S	Bend	trans	-113.6	7.9	179.5	-70	-22.1	0	0	0	113.7	D6	D6-N9 PolarHBondContact O-N 3.09Å; D6-N9 PolarHBondContact OD1-ND2 3.05Å; D6-N9 WeakPolarHBondContact OD2-CB 3.48Å; D6-N9 PolarHBondContact OD2-ND2 2.89Å
10	T	87.9	Confident	75.9	Confident	95 Å²	95	104.5 Å²	104.5	58%	0.583	57%	0.566	S	S	*	*			trans	-103.1	127.4	178	54.6	0	0	0	0	111	D6 S7	D6-T10 PolarHBondContact O-N 3.37Å; S7-T10 WeakPolarHBondContact CA-OG1 3.24Å
11	L	91.6	Very high	76.6	Confident	95 Å²	95	99.6 Å²	99.6	50%	0.497	54%	0.54	S	S	.	.			trans	-105.9	123.1	173.6	-172.4	77.8	0	0	0	109.5	V13 N38 I39 F84	L11-V13 HydrophobicContact CD2-CG2 3.81Å; L11-V13 HydrophobicContact CG-CG2 4.03Å; L11-N38 WeakPolarHBondContact CA-OD1 3.34Å; L11-N38 HydrophobicContact CD1-CB 3.38Å; L11-N38 HydrophobicContact CG-CB 4.16Å; L11-I39 HydrophobicContact CD1-CD1 4.29Å; L11-I39 HydrophobicContact CD1-CG1 4.3Å; L11-I39 HydrophobicContact CD2-CD1 3.9Å; L11-F84 HydrophobicContact CD1-CE1 4.37Å; L11-F84 HydrophobicContact CD1-CZ 3.88Å
12	S	94.6	Very high	78.8	Confident	51 Å²	51	91.9 Å²	91.9	36%	0.357	50%	0.502	S	S	.	.			trans	-91.7	130.4	169.7	57.1	0	0	0	0	110.4	P37 N38 I39	S12-P37 VanDerWaalsContact OG-CA 3.27Å; S12-P37 WeakPolarHBondContact OG-CA 3.49Å; S12-N38 PolarHBondContact N-OD1 2.81Å; S12-N38 WeakPolarHBondContact O-CA 3.43Å; S12-N38 WeakPolarHBondContact O-CB 3.28Å; S12-N38 PolarHBondContact O-N 2.86Å; S12-N38 PolarHBondContact OG-N 2.82Å; S12-N38 PolarHBondContact OG-OD1 2.94Å; S12-N38 VanDerWaalsContact OG-OD1 3.1Å; S12-I39 PolarHBondContact O-N 3.37Å; S12-I39 VanDerWaalsContact O-N 3.13Å
13	V	96.3	Very high	80.7	Confident	93 Å²	93	95.6 Å²	95.6	56%	0.564	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.5	-179.6	-174.1	0	0	0	0	109.1	L11 I39	L11-V13 HydrophobicContact CD2-CG2 3.81Å; L11-V13 HydrophobicContact CG-CG2 4.03Å; V13-I39 CarbonylContact C-O 3.52Å; V13-I39 WeakPolarHBondContact CA-O 3.08Å; V13-I39 HydrophobicContact CG1-CB 4.38Å; V13-I39 HydrophobicContact CG2-CB 4.36Å
14	Y	96.1	Very high	82.5	Confident	60 Å²	60	91.2 Å²	91.2	24%	0.235	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136	169.2	177	-122	0	0	0	108.5	I16 L28 T31 V32 I39 T40 G41	Y14-I16 HydrophobicContact CE1-CB 4.38Å; Y14-I16 HydrophobicContact CE1-CG2 4.02Å; Y14-L28 HydrophobicContact CE1-CD1 4.31Å; Y14-T31 HydrophobicContact CE1-CG2 3.87Å; Y14-T31 HydrophobicContact CE2-CG2 4.25Å; Y14-V32 HydrophobicContact CD1-CG2 4.37Å; Y14-I39 PolarHBondContact N-O 2.88Å; Y14-T40 HydrophobicContact CD1-CG2 3.52Å; Y14-T40 HydrophobicContact CE1-CG2 4.19Å; Y14-T40 HydrophobicContact CG-CG2 4.44Å; Y14-T40 CarbonylContact O-C 3.59Å; Y14-T40 WeakPolarHBondContact O-CA 3.08Å; Y14-G41 PolarHBondContact O-N 3.2Å
15	Y	94.9	Very high	84.6	Confident	155 Å²	155	86.3 Å²	86.3	61%	0.608	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.1	175	104	-83	0	0	0	110.3	G41	Y15-G41 CarbonylContact C-O 3.47Å; Y15-G41 VanDerWaalsContact CA-O 3.27Å; Y15-G41 WeakPolarHBondContact CA-O 3.41Å
16	I	93.2	Very high	86.5	Confident	59 Å²	59	88.8 Å²	88.8	30%	0.303	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.9	177.7	-175.9	166.3	0	0	0	110.8	Y14 S18 L28 G41 V42 T43	Y14-I16 HydrophobicContact CE1-CB 4.38Å; Y14-I16 HydrophobicContact CE1-CG2 4.02Å; I16-S18 PolarHBondContact O-N 3Å; I16-L28 HydrophobicContact CG2-CD1 4.34Å; I16-G41 PolarHBondContact N-O 2.62Å; I16-V42 HydrophobicContact CG2-CG1 4.22Å; I16-V42 HydrophobicContact CG2-CG2 4.15Å; I16-V42 WeakPolarHBondContact O-CA 3.34Å; I16-T43 PolarHBondContact O-N 2.82Å
17	N	92.4	Very high	88.2	Confident	59 Å²	59	89.9 Å²	89.9	32%	0.316	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.2	160.8	-177.1	-32.1	0	0	0	108.4	R19 T43 E44	N17-R19 VanDerWaalsContact C-N 3.32Å; N17-R19 PolarHBondContact O-N 3.31Å; N17-R19 WeakPolarHBondContact OD1-CG 3.33Å; N17-R19 PolarHBondContact OD1-N 3.46Å; N17-T43 WeakPolarHBondContact CA-OG1 3.49Å; N17-E44 PolarHBondContact ND2-OE1 2.86Å; N17-E44 WeakPolarHBondContact OD1-CB 3.49Å; N17-E44 PolarHBondContact OD1-OE2 2.92Å
18	S	90.5	Very high	89.7	Confident	6 Å²	6	86.3 Å²	86.3	4%	0.042	43%	0.425	C	S	.	.			trans	-75.1	-20.2	-173.6	67.2	0	0	0	0	113.3	I16 S20 K24 T43 E44 T45	I16-S18 PolarHBondContact O-N 3Å; S18-S20 VanDerWaalsContact C-N 3.26Å; S18-S20 PolarHBondContact O-N 2.98Å; S18-K24 PolarHBondContact O-NZ 3.41Å; S18-T43 PolarHBondContact N-O 3.44Å; S18-T43 PolarHBondContact OG-O 2.9Å; S18-E44 PolarHBondContact OG-O 2.97Å; S18-T45 WeakPolarHBondContact OG-CA 3.32Å
19	R	88.7	Confident	90.9	Very high	185 Å²	185	79.6 Å²	79.6	70%	0.698	40%	0.395	S	S	*	.	S	Bend	trans	42.5	55.8	-172.6	-60	-173.2	177.6	176.1	-0.5	111.5	N17 K24 E44	N17-R19 VanDerWaalsContact C-N 3.32Å; N17-R19 PolarHBondContact O-N 3.31Å; N17-R19 WeakPolarHBondContact OD1-CG 3.33Å; N17-R19 PolarHBondContact OD1-N 3.46Å; R19-K24 PolarHBondContact O-NZ 3.46Å; R19-E44 PolarHBondContact N-O 3.29Å
20	S	87.3	Confident	91.4	Very high	37 Å²	37	78.3 Å²	78.3	26%	0.259	39%	0.388	S	S	.	.			trans	83.7	117.1	-168.5	-169.1	0	0	0	0	113.7	S18 K24 E44 T45	S18-S20 VanDerWaalsContact C-N 3.26Å; S18-S20 PolarHBondContact O-N 2.98Å; S20-K24 WeakPolarHBondContact O-CD 3.49Å; S20-E44 PolarHBondContact N-O 2.95Å; S20-T45 WeakPolarHBondContact CA-O 3.5Å
21	L	89.5	Confident	91.7	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.01	38%	0.377	C	S	.	.	S	Bend	trans	-88.5	-24.9	-176.2	-179.5	56.4	0	0	0	113.1	N23 K24 T25 L28 V42 T45 L47 P55 I77	L21-N23 PolarHBondContact O-N 3.41Å; L21-K24 PolarHBondContact O-N 2.93Å; L21-T25 HydrophobicContact CD1-CG2 4.02Å; L21-T25 HydrophobicContact CG-CG2 3.89Å; L21-T25 WeakPolarHBondContact O-CG2 3.41Å; L21-T25 PolarHBondContact O-N 3.39Å; L21-L28 HydrophobicContact CD1-CB 4.4Å; L21-L28 HydrophobicContact CD1-CD2 3.64Å; L21-L28 HydrophobicContact CD2-CD2 4.38Å; L21-V42 HydrophobicContact CD2-CG1 4.42Å; L21-T45 HydrophobicContact CB-CG2 4.37Å; L21-T45 HydrophobicContact CD2-CG2 4.1Å; L21-T45 PolarHBondContact N-O 3.14Å; L21-L47 HydrophobicContact CD2-CD1 4.12Å; L21-P55 HydrophobicContact CD2-CB 4.26Å; L21-P55 HydrophobicContact CD2-CG 3.93Å; L21-I77 HydrophobicContact CD2-CD1 3.81Å
22	I	87.3	Confident	91.8	Very high	80 Å²	80	72 Å²	72	41%	0.41	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.8	-164.4	-160.4	163.4	0	0	0	114.3	V51	I22-V51 HydrophobicContact CD1-CG1 4.41Å
23	N	88.1	Confident	91.7	Very high	146 Å²	146	73.4 Å²	73.4	78%	0.781	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	4.7	-179.7	-62.8	-37.4	0	0	0	114	L21	L21-N23 PolarHBondContact O-N 3.41Å
24	K	90.6	Very high	91.6	Very high	81 Å²	81	72.3 Å²	72.3	35%	0.352	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	7.8	-172	-61.4	178.3	-171	166.2	0	113.2	S18 R19 S20 L21 F26 E27 L28	S18-K24 PolarHBondContact O-NZ 3.41Å; R19-K24 PolarHBondContact O-NZ 3.46Å; S20-K24 WeakPolarHBondContact O-CD 3.49Å; L21-K24 PolarHBondContact O-N 2.93Å; K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.49Å; K24-E27 PolarHBondContact O-N 2.97Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 3.42Å
25	T	89.3	Confident	91.5	Very high	20 Å²	20	72.6 Å²	72.6	12%	0.123	38%	0.376	C	S	.	.	H	α-helix	trans	-68.7	-33	-172.1	51.1	0	0	0	0	113.4	L21 N29 Y53 P55	L21-T25 HydrophobicContact CD1-CG2 4.02Å; L21-T25 HydrophobicContact CG-CG2 3.89Å; L21-T25 WeakPolarHBondContact O-CG2 3.41Å; L21-T25 PolarHBondContact O-N 3.39Å; T25-N29 WeakPolarHBondContact O-CB 3.41Å; T25-N29 PolarHBondContact O-N 2.82Å; T25-N29 PolarHBondContact O-ND2 3.09Å; T25-Y53 WeakPolarHBondContact CB-OH 3.46Å; T25-Y53 HydrophobicContact CG2-CE1 3.48Å; T25-Y53 VanDerWaalsContact CG2-CE1 3.48Å; T25-Y53 WeakPolarHBondContact CG2-OH 3.48Å; T25-Y53 PolarHBondContact OG1-OH 3.24Å; T25-P55 HydrophobicContact CG2-CB 4.08Å
26	F	90.8	Very high	91.5	Very high	148 Å²	148	69 Å²	69	65%	0.649	37%	0.373	S	S	*	.	H	α-helix	trans	-64.6	-47	172.2	179.2	-103.5	0	0	0	111.5	K24 N29 L30	K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.49Å; F26-N29 WeakPolarHBondContact O-CB 3.47Å; F26-N29 PolarHBondContact O-N 2.91Å; F26-L30 HydrophobicContact CD1-CD1 3.91Å; F26-L30 HydrophobicContact CE1-CD1 3.33Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CE2-CD1 4.46Å; F26-L30 HydrophobicContact CZ-CD1 3.65Å; F26-L30 HydrophobicContact CZ-CD2 4.41Å; F26-L30 HydrophobicContact CZ-CG 4.14Å; F26-L30 WeakPolarHBondContact O-CG 3.37Å; F26-L30 PolarHBondContact O-N 3.48Å
27	E	92.4	Very high	91.6	Very high	118 Å²	118	66.5 Å²	66.5	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-65.8	-39.7	179	-64.6	166.5	153.3	0	0	111.6	K24 L30 T31	K24-E27 PolarHBondContact O-N 2.97Å; E27-L30 PolarHBondContact O-N 2.87Å; E27-T31 WeakPolarHBondContact O-CB 3.19Å; E27-T31 PolarHBondContact O-N 2.93Å; E27-T31 PolarHBondContact O-OG1 3.1Å
28	L	92.6	Very high	91.7	Very high	11 Å²	11	65.2 Å²	65.2	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-49.6	172.9	-179.9	66.6	0	0	0	110.8	Y14 I16 L21 K24 L30 T31 V32 T40 V42 Y79	Y14-L28 HydrophobicContact CE1-CD1 4.31Å; I16-L28 HydrophobicContact CG2-CD1 4.34Å; L21-L28 HydrophobicContact CD1-CB 4.4Å; L21-L28 HydrophobicContact CD1-CD2 3.64Å; L21-L28 HydrophobicContact CD2-CD2 4.38Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 3.42Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 2.68Å; L28-T31 PolarHBondContact O-N 2.87Å; L28-T31 VanDerWaalsContact O-N 3.14Å; L28-V32 HydrophobicContact CD1-CG2 3.96Å; L28-V32 HydrophobicContact CG-CG2 4.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.13Å; L28-T40 HydrophobicContact CD1-CG2 4.46Å; L28-V42 HydrophobicContact CD1-CG2 4.1Å; L28-V42 HydrophobicContact CD2-CG2 4.02Å; L28-Y79 HydrophobicContact CD2-CE2 3.89Å
29	N	92.9	Very high	92	Very high	42 Å²	42	66.8 Å²	66.8	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-56.7	-47.1	177.4	-97.5	-53.2	0	0	0	112	T25 F26 T31 V32 N33 V56 V57	T25-N29 WeakPolarHBondContact O-CB 3.41Å; T25-N29 PolarHBondContact O-N 2.82Å; T25-N29 PolarHBondContact O-ND2 3.09Å; F26-N29 WeakPolarHBondContact O-CB 3.47Å; F26-N29 PolarHBondContact O-N 2.91Å; N29-T31 VanDerWaalsContact C-N 3.31Å; N29-T31 PolarHBondContact O-N 3.44Å; N29-V32 PolarHBondContact O-N 2.74Å; N29-N33 VanDerWaalsContact O-CB 3.24Å; N29-N33 WeakPolarHBondContact O-CB 3.18Å; N29-N33 PolarHBondContact O-N 3.47Å; N29-N33 PolarHBondContact O-ND2 2.85Å; N29-V56 PolarHBondContact ND2-O 2.87Å; N29-V57 WeakPolarHBondContact OD1-CA 3.37Å; N29-V57 WeakPolarHBondContact OD1-CG1 3.4Å; N29-V57 WeakPolarHBondContact OD1-CG2 3.35Å
30	L	93.5	Very high	92.3	Very high	101 Å²	101	58 Å²	58	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-42.1	176.6	-73.1	177.8	0	0	0	112.3	F26 E27 L28 G34	F26-L30 HydrophobicContact CD1-CD1 3.91Å; F26-L30 HydrophobicContact CE1-CD1 3.33Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CE2-CD1 4.46Å; F26-L30 HydrophobicContact CZ-CD1 3.65Å; F26-L30 HydrophobicContact CZ-CD2 4.41Å; F26-L30 HydrophobicContact CZ-CG 4.14Å; F26-L30 WeakPolarHBondContact O-CG 3.37Å; F26-L30 PolarHBondContact O-N 3.48Å; E27-L30 PolarHBondContact O-N 2.87Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 2.68Å; L30-G34 PolarHBondContact O-N 2.9Å
31	T	93.6	Very high	92.6	Very high	58 Å²	58	56.9 Å²	56.9	36%	0.356	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-46.2	-178.7	-55.2	0	0	0	0	111.4	Y14 E27 L28 N29 G34 S35	Y14-T31 HydrophobicContact CE1-CG2 3.87Å; Y14-T31 HydrophobicContact CE2-CG2 4.25Å; E27-T31 WeakPolarHBondContact O-CB 3.19Å; E27-T31 PolarHBondContact O-N 2.93Å; E27-T31 PolarHBondContact O-OG1 3.1Å; L28-T31 PolarHBondContact O-N 2.87Å; L28-T31 VanDerWaalsContact O-N 3.14Å; N29-T31 VanDerWaalsContact C-N 3.31Å; N29-T31 PolarHBondContact O-N 3.44Å; T31-G34 PolarHBondContact O-N 2.92Å; T31-S35 PolarHBondContact O-N 2.92Å; T31-S35 VanDerWaalsContact O-N 3.09Å; T31-S35 PolarHBondContact O-OG 2.78Å
32	V	94	Very high	92.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-43.3	179.3	177.2	0	0	0	0	110.4	Y14 L28 N29 G34 S35 S36 P37 T40 V57 Y60	Y14-V32 HydrophobicContact CD1-CG2 4.37Å; L28-V32 HydrophobicContact CD1-CG2 3.96Å; L28-V32 HydrophobicContact CG-CG2 4.26Å; L28-V32 WeakPolarHBondContact O-CG2 3.49Å; L28-V32 PolarHBondContact O-N 3.13Å; N29-V32 PolarHBondContact O-N 2.74Å; V32-G34 PolarHBondContact O-N 2.74Å; V32-S35 PolarHBondContact O-N 3.26Å; V32-S36 WeakPolarHBondContact O-CA 3.14Å; V32-S36 PolarHBondContact O-N 2.87Å; V32-P37 HydrophobicContact CG1-CG 4.33Å; V32-P37 WeakPolarHBondContact O-CD 3.39Å; V32-T40 HydrophobicContact CG2-CG2 3.95Å; V32-V57 HydrophobicContact CB-CG1 4.17Å; V32-V57 HydrophobicContact CG1-CG1 3.78Å; V32-Y60 HydrophobicContact CG1-CD2 4.25Å; V32-Y60 HydrophobicContact CG1-CE1 4.1Å; V32-Y60 HydrophobicContact CG1-CE2 3.56Å; V32-Y60 VanDerWaalsContact CG1-CZ 3.46Å; V32-Y60 WeakPolarHBondContact CG1-OH 3.32Å
33	N	92.6	Very high	92.9	Very high	80 Å²	80	55.5 Å²	55.5	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-69	-32.3	178.1	-69.6	-14.3	0	0	0	113	N29 S36	N29-N33 VanDerWaalsContact O-CB 3.24Å; N29-N33 WeakPolarHBondContact O-CB 3.18Å; N29-N33 PolarHBondContact O-N 3.47Å; N29-N33 PolarHBondContact O-ND2 2.85Å; N33-S36 PolarHBondContact O-OG 3.42Å
34	G	94.1	Very high	92.9	Very high	71 Å²	71	51.3 Å²	51.3	73%	0.732	29%	0.294	S	S	*	.	H	α-helix	trans	-75.1	-29.8	178.8	0	0	0	0	0	113.9	L30 T31 V32	L30-G34 PolarHBondContact O-N 2.9Å; T31-G34 PolarHBondContact O-N 2.92Å; V32-G34 PolarHBondContact O-N 2.74Å
35	S	93.7	Very high	92.8	Very high	66 Å²	66	47.5 Å²	47.5	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-102.2	-19.6	-178.8	56.1	0	0	0	0	114.2	T31 V32 P37	T31-S35 PolarHBondContact O-N 2.92Å; T31-S35 VanDerWaalsContact O-N 3.09Å; T31-S35 PolarHBondContact O-OG 2.78Å; V32-S35 PolarHBondContact O-N 3.26Å; S35-P37 VanDerWaalsContact C-CD 3.47Å; S35-P37 WeakPolarHBondContact OG-CD 3.47Å
36	S	94	Very high	92.6	Very high	79 Å²	79	52.7 Å²	52.7	55%	0.552	30%	0.295	S	S	*	.			trans	43.3	52.6	-178.3	-61.5	0	0	0	0	114.1	V32 N33	V32-S36 WeakPolarHBondContact O-CA 3.14Å; V32-S36 PolarHBondContact O-N 2.87Å; N33-S36 PolarHBondContact O-OG 3.42Å
37	P	95.8	Very high	92.3	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.039	26%	0.264	C	S	.	.			trans	-66.8	149.4	178.1	31.6	-36.2	0	0	0	110.3	S12 V32 S35 I39 T40 Y60	S12-P37 VanDerWaalsContact OG-CA 3.27Å; S12-P37 WeakPolarHBondContact OG-CA 3.49Å; V32-P37 HydrophobicContact CG1-CG 4.33Å; V32-P37 WeakPolarHBondContact O-CD 3.39Å; S35-P37 VanDerWaalsContact C-CD 3.47Å; S35-P37 WeakPolarHBondContact OG-CD 3.47Å; P37-I39 VanDerWaalsContact C-N 3.28Å; P37-I39 PolarHBondContact O-N 3.47Å; P37-T40 WeakPolarHBondContact CG-OG1 3.27Å; P37-Y60 WeakPolarHBondContact CD-OH 3.33Å; P37-Y60 WeakPolarHBondContact O-CE1 3.44Å; P37-Y60 PolarHBondContact O-OH 3.37Å
38	N	94.8	Very high	91.8	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.171	25%	0.248	C	C	.	.	S	Bend	trans	-65.5	-35.1	173.1	-64.1	119.8	0	0	0	112.1	L11 S12 G81 F84	L11-N38 WeakPolarHBondContact CA-OD1 3.34Å; L11-N38 HydrophobicContact CD1-CB 3.38Å; L11-N38 HydrophobicContact CG-CB 4.16Å; S12-N38 PolarHBondContact N-OD1 2.81Å; S12-N38 WeakPolarHBondContact O-CA 3.43Å; S12-N38 WeakPolarHBondContact O-CB 3.28Å; S12-N38 PolarHBondContact O-N 2.86Å; S12-N38 PolarHBondContact OG-N 2.82Å; S12-N38 PolarHBondContact OG-OD1 2.94Å; S12-N38 VanDerWaalsContact OG-OD1 3.1Å; N38-G81 PolarHBondContact O-N 3.16Å; N38-F84 HydrophobicContact CB-CE2 3.59Å; N38-F84 HydrophobicContact CB-CZ 3.88Å
39	I	95.8	Very high	91.1	Very high	39 Å²	39	45.9 Å²	45.9	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.4	178.2	-56.8	-177.8	0	0	0	109.6	L11 S12 V13 Y14 P37 L78 Y79	L11-I39 HydrophobicContact CD1-CD1 4.29Å; L11-I39 HydrophobicContact CD1-CG1 4.3Å; L11-I39 HydrophobicContact CD2-CD1 3.9Å; S12-I39 PolarHBondContact O-N 3.37Å; S12-I39 VanDerWaalsContact O-N 3.13Å; V13-I39 CarbonylContact C-O 3.52Å; V13-I39 WeakPolarHBondContact CA-O 3.08Å; V13-I39 HydrophobicContact CG1-CB 4.38Å; V13-I39 HydrophobicContact CG2-CB 4.36Å; Y14-I39 PolarHBondContact N-O 2.88Å; P37-I39 VanDerWaalsContact C-N 3.28Å; P37-I39 PolarHBondContact O-N 3.47Å; I39-L78 HydrophobicContact CG2-CD1 3.5Å; I39-L78 HydrophobicContact CG2-CG 4.03Å; I39-Y79 CarbonylContact C-O 3.56Å; I39-Y79 VanDerWaalsContact CA-O 3.25Å; I39-Y79 WeakPolarHBondContact CA-O 3.34Å
40	T	95.8	Very high	90.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.6	167.2	-63.9	0	0	0	0	111.1	Y14 L28 V32 P37 V42 L78 Y79	Y14-T40 HydrophobicContact CD1-CG2 3.52Å; Y14-T40 HydrophobicContact CE1-CG2 4.19Å; Y14-T40 HydrophobicContact CG-CG2 4.44Å; Y14-T40 CarbonylContact O-C 3.59Å; Y14-T40 WeakPolarHBondContact O-CA 3.08Å; L28-T40 HydrophobicContact CD1-CG2 4.46Å; V32-T40 HydrophobicContact CG2-CG2 3.95Å; P37-T40 WeakPolarHBondContact CG-OG1 3.27Å; T40-V42 HydrophobicContact CG2-CG2 3.98Å; T40-L78 CarbonylContact O-C 3.55Å; T40-L78 WeakPolarHBondContact O-CA 3.44Å; T40-Y79 HydrophobicContact CG2-CD2 4.02Å; T40-Y79 PolarHBondContact N-O 2.81Å; T40-Y79 PolarHBondContact O-N 3.44Å
41	G	94.2	Very high	89.3	Confident	15 Å²	15	46.8 Å²	46.8	16%	0.155	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.7	170.8	0	0	0	0	0	111.9	Y14 Y15 I16	Y14-G41 PolarHBondContact O-N 3.2Å; Y15-G41 CarbonylContact C-O 3.47Å; Y15-G41 VanDerWaalsContact CA-O 3.27Å; Y15-G41 WeakPolarHBondContact CA-O 3.41Å; I16-G41 PolarHBondContact N-O 2.62Å
42	V	92.4	Very high	88	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.6	175.6	-168.9	0	0	0	0	108.7	I16 L21 L28 T40 T45 T76 I77 Y79	I16-V42 HydrophobicContact CG2-CG1 4.22Å; I16-V42 HydrophobicContact CG2-CG2 4.15Å; I16-V42 WeakPolarHBondContact O-CA 3.34Å; L21-V42 HydrophobicContact CD2-CG1 4.42Å; L28-V42 HydrophobicContact CD1-CG2 4.1Å; L28-V42 HydrophobicContact CD2-CG2 4.02Å; T40-V42 HydrophobicContact CG2-CG2 3.98Å; V42-T45 HydrophobicContact CB-CG2 4.21Å; V42-T45 HydrophobicContact CG1-CG2 3.8Å; V42-T76 CarbonylContact O-C 3.53Å; V42-T76 VanDerWaalsContact O-CA 3.24Å; V42-T76 WeakPolarHBondContact O-CA 3.49Å; V42-I77 HydrophobicContact CB-CB 4.33Å; V42-I77 PolarHBondContact N-O 2.78Å; V42-I77 PolarHBondContact O-N 2.97Å; V42-Y79 HydrophobicContact CG2-CD2 4.29Å; V42-Y79 HydrophobicContact CG2-CE2 3.93Å
43	T	89.5	Confident	87	Confident	52 Å²	52	56.4 Å²	56.4	32%	0.319	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	165.9	177.1	66.1	0	0	0	0	111.7	I16 N17 S18 T45 D75 T76	I16-T43 PolarHBondContact O-N 2.82Å; N17-T43 WeakPolarHBondContact CA-OG1 3.49Å; S18-T43 PolarHBondContact N-O 3.44Å; S18-T43 PolarHBondContact OG-O 2.9Å; T43-T45 VanDerWaalsContact C-N 3.29Å; T43-T45 PolarHBondContact O-N 2.92Å; T43-D75 CarbonylContact C-O 3.59Å; T43-T76 HydrophobicContact CG2-CG2 4.01Å
44	E	88	Confident	86.1	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.271	33%	0.329	S	S	.	.			trans	45.8	53.9	-175.8	-62	-177.7	-154.8	0	0	111.4	N17 S18 R19 S20 W46 D75	N17-E44 PolarHBondContact ND2-OE1 2.86Å; N17-E44 WeakPolarHBondContact OD1-CB 3.49Å; N17-E44 PolarHBondContact OD1-OE2 2.92Å; S18-E44 PolarHBondContact OG-O 2.97Å; R19-E44 PolarHBondContact N-O 3.29Å; S20-E44 PolarHBondContact N-O 2.95Å; E44-W46 PolarHBondContact O-N 3.2Å; E44-D75 PolarHBondContact N-O 2.79Å
45	T	88.2	Confident	85.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.294	C	S	.	.			trans	-71.6	-21.8	-179	67.9	0	0	0	0	112.3	S18 S20 L21 V42 T43 L47 D75 I77	S18-T45 WeakPolarHBondContact OG-CA 3.32Å; S20-T45 WeakPolarHBondContact CA-O 3.5Å; L21-T45 HydrophobicContact CB-CG2 4.37Å; L21-T45 HydrophobicContact CD2-CG2 4.1Å; L21-T45 PolarHBondContact N-O 3.14Å; V42-T45 HydrophobicContact CB-CG2 4.21Å; V42-T45 HydrophobicContact CG1-CG2 3.8Å; T43-T45 VanDerWaalsContact C-N 3.29Å; T43-T45 PolarHBondContact O-N 2.92Å; T45-L47 PolarHBondContact O-N 2.76Å; T45-L47 PolarHBondContact OG1-N 2.9Å; T45-D75 PolarHBondContact N-O 2.95Å; T45-D75 WeakPolarHBondContact OG1-CB 3.35Å; T45-I77 HydrophobicContact CG2-CB 4.42Å; T45-I77 HydrophobicContact CG2-CD1 4.32Å; T45-I77 HydrophobicContact CG2-CG1 4.06Å
46	W	85.9	Confident	84.9	Confident	129 Å²	129	54.3 Å²	54.3	49%	0.489	30%	0.3	S	S	.	.			trans	56.1	24.7	-173.1	-63.2	81.6	0	0	0	112.4	E44 D75	E44-W46 PolarHBondContact O-N 3.2Å; W46-D75 WeakPolarHBondContact CA-OD2 3.2Å; W46-D75 PolarHBondContact N-OD2 2.87Å
47	L	84.6	Confident	84.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.274	C	S	.	.			trans	-87.1	134.7	174.9	-66.6	174.6	0	0	0	109	L21 T45 V51 Y53 P55 G67 D75 I77	L21-L47 HydrophobicContact CD2-CD1 4.12Å; T45-L47 PolarHBondContact O-N 2.76Å; T45-L47 PolarHBondContact OG1-N 2.9Å; L47-V51 HydrophobicContact CD2-CG1 4.29Å; L47-Y53 HydrophobicContact CD2-CD1 4.44Å; L47-P55 HydrophobicContact CD1-CG 4.31Å; L47-G67 PolarHBondContact O-N 2.66Å; L47-D75 PolarHBondContact N-OD2 3.08Å; L47-D75 VanDerWaalsContact N-OD2 3.16Å; L47-D75 VanDerWaalsContact O-CG 3.26Å; L47-D75 VanDerWaalsContact O-OD2 3.08Å; L47-I77 HydrophobicContact CD1-CD1 3.63Å
48	T	82.2	Confident	84.6	Confident	34 Å²	34	58.4 Å²	58.4	21%	0.209	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-113.3	160.9	175.5	71.3	0	0	0	0	109.6	N50 V51 R64 D66	T48-N50 PolarHBondContact O-N 3.35Å; T48-N50 PolarHBondContact OG1-N 2.94Å; T48-V51 PolarHBondContact O-N 2.63Å; T48-R64 PolarHBondContact O-NH2 3.46Å; T48-R64 VanDerWaalsContact O-NH2 3.08Å; T48-D66 VanDerWaalsContact C-OD2 3.3Å
49	V	77.5	Confident	84.6	Confident	100 Å²	100	58.3 Å²	58.3	61%	0.606	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.2	174.5	-62.6	0	0	0	0	113.6	D66	V49-D66 WeakPolarHBondContact CA-OD2 3.38Å; V49-D66 HydrophobicContact CG1-CB 3.79Å; V49-D66 PolarHBondContact N-OD2 3.33Å
50	N	76.2	Confident	84.5	Confident	118 Å²	118	58.1 Å²	58.1	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-15.1	178.2	-71	-13.8	0	0	0	113.3	T48 N52 I69	T48-N50 PolarHBondContact O-N 3.35Å; T48-N50 PolarHBondContact OG1-N 2.94Å; N50-N52 PolarHBondContact O-N 3.41Å; N50-I69 WeakPolarHBondContact ND2-CD1 3.24Å
51	V	72.8	Confident	84.4	Confident	43 Å²	43	61.1 Å²	61.1	26%	0.261	33%	0.329	S	S	.	.			trans	-81.8	102	175.4	-168.6	0	0	0	0	107.7	I22 L47 T48 Y53 R64	I22-V51 HydrophobicContact CD1-CG1 4.41Å; L47-V51 HydrophobicContact CD2-CG1 4.29Å; T48-V51 PolarHBondContact O-N 2.63Å; V51-Y53 PolarHBondContact O-N 2.84Å; V51-R64 PolarHBondContact O-NH2 3Å
52	N	66.9	Low	84.3	Confident	179 Å²	179	62.4 Å²	62.4	96%	0.957	34%	0.335	S	S	*	.			trans	-75.5	56.4	176.5	-147.3	8.8	0	0	0	110.8	N50	N50-N52 PolarHBondContact O-N 3.41Å
53	Y	72.4	Confident	84.2	Confident	82 Å²	82	64.3 Å²	64.3	32%	0.322	35%	0.345	S	S	.	.			trans	-134.9	107.2	-175.4	178.7	-102.5	0	0	0	108.8	T25 L47 V51 P55 R64	T25-Y53 WeakPolarHBondContact CB-OH 3.46Å; T25-Y53 HydrophobicContact CG2-CE1 3.48Å; T25-Y53 VanDerWaalsContact CG2-CE1 3.48Å; T25-Y53 WeakPolarHBondContact CG2-OH 3.48Å; T25-Y53 PolarHBondContact OG1-OH 3.24Å; L47-Y53 HydrophobicContact CD2-CD1 4.44Å; V51-Y53 PolarHBondContact O-N 2.84Å; Y53-P55 HydrophobicContact CE1-CB 3.87Å; Y53-P55 HydrophobicContact CE1-CG 4.46Å; Y53-P55 WeakPolarHBondContact O-CD 3.33Å; Y53-R64 PolarHBondContact O-NH1 3.45Å
54	S	72.6	Confident	84.1	Confident	74 Å²	74	65.1 Å²	65.1	52%	0.517	34%	0.342	S	S	.	.			trans	-96	112.1	173.5	-173	0	0	0	0	108.9	V56	S54-V56 PolarHBondContact O-N 2.86Å
55	P	78.7	Confident	83.9	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.013	34%	0.34	C	S	.	.			trans	-74.4	82	174.3	30.7	-33.4	0	0	0	108.9	L21 T25 L47 Y53 I77 Y79	L21-P55 HydrophobicContact CD2-CB 4.26Å; L21-P55 HydrophobicContact CD2-CG 3.93Å; T25-P55 HydrophobicContact CG2-CB 4.08Å; L47-P55 HydrophobicContact CD1-CG 4.31Å; Y53-P55 HydrophobicContact CE1-CB 3.87Å; Y53-P55 HydrophobicContact CE1-CG 4.46Å; Y53-P55 WeakPolarHBondContact O-CD 3.33Å; P55-I77 HydrophobicContact CG-CD1 3.37Å; P55-Y79 WeakPolarHBondContact CB-OH 3Å; P55-Y79 VanDerWaalsContact CG-OH 3.32Å; P55-Y79 WeakPolarHBondContact CG-OH 3.41Å; P55-Y79 WeakPolarHBondContact O-CE1 3.41Å; P55-Y79 PolarHBondContact O-OH 3.33Å
56	V	84.9	Confident	83.6	Confident	96 Å²	96	65.7 Å²	65.7	58%	0.582	35%	0.35	S	S	*	.			trans	-73.7	133.5	177.9	-179.1	0	0	0	0	109.2	N29 S54	N29-V56 PolarHBondContact ND2-O 2.87Å; S54-V56 PolarHBondContact O-N 2.86Å
57	V	90.4	Very high	82.8	Confident	2 Å²	2	60 Å²	60	1%	0.012	33%	0.331	C	S	.	.			trans	-115.7	126.2	168.4	-174.7	0	0	0	0	106.7	N29 V32 Y60 Y79	N29-V57 WeakPolarHBondContact OD1-CA 3.37Å; N29-V57 WeakPolarHBondContact OD1-CG1 3.4Å; N29-V57 WeakPolarHBondContact OD1-CG2 3.35Å; V32-V57 HydrophobicContact CB-CG1 4.17Å; V32-V57 HydrophobicContact CG1-CG1 3.78Å; V57-Y60 HydrophobicContact CB-CD2 4.09Å; V57-Y60 HydrophobicContact CG1-CD2 3.61Å; V57-Y60 HydrophobicContact CG1-CE2 3.97Å; V57-Y60 HydrophobicContact CG1-CG 4.43Å; V57-Y60 PolarHBondContact O-N 3.49Å; V57-Y79 HydrophobicContact CB-CD1 4.14Å; V57-Y79 HydrophobicContact CB-CE1 4.13Å; V57-Y79 HydrophobicContact CG2-CD1 3.86Å; V57-Y79 HydrophobicContact CG2-CE1 3.49Å; V57-Y79 VanDerWaalsContact CG2-CE1 3.49Å; V57-Y79 HydrophobicContact CG2-CE2 4.27Å; V57-Y79 HydrophobicContact CG2-CG 4.38Å
58	E	92	Very high	82	Confident	170 Å²	170	66 Å²	66	79%	0.794	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	134.8	-178.2	-174.6	174.5	-166.7	0	0	111.2	Y60	E58-Y60 VanDerWaalsContact O-CD2 3.28Å; E58-Y60 WeakPolarHBondContact O-CD2 3.41Å
59	G	94.9	Very high	80.9	Confident	29 Å²	29	68.2 Å²	68.2	30%	0.299	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	8.8	-176.9	0	0	0	0	0	115	D82	G59-D82 WeakPolarHBondContact CA-OD2 3.19Å; G59-D82 PolarHBondContact O-N 3.24Å
60	Y	95.4	Very high	79.8	Confident	35 Å²	35	71.1 Å²	71.1	14%	0.137	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.6	179.9	-64.4	-100.5	0	0	0	112.8	V32 P37 V57 E58 V80	V32-Y60 HydrophobicContact CG1-CD2 4.25Å; V32-Y60 HydrophobicContact CG1-CE1 4.1Å; V32-Y60 HydrophobicContact CG1-CE2 3.56Å; V32-Y60 VanDerWaalsContact CG1-CZ 3.46Å; V32-Y60 WeakPolarHBondContact CG1-OH 3.32Å; P37-Y60 WeakPolarHBondContact CD-OH 3.33Å; P37-Y60 WeakPolarHBondContact O-CE1 3.44Å; P37-Y60 PolarHBondContact O-OH 3.37Å; V57-Y60 HydrophobicContact CB-CD2 4.09Å; V57-Y60 HydrophobicContact CG1-CD2 3.61Å; V57-Y60 HydrophobicContact CG1-CE2 3.97Å; V57-Y60 HydrophobicContact CG1-CG 4.43Å; V57-Y60 PolarHBondContact O-N 3.49Å; E58-Y60 VanDerWaalsContact O-CD2 3.28Å; E58-Y60 WeakPolarHBondContact O-CD2 3.41Å; Y60-V80 CarbonylContact C-O 3.49Å; Y60-V80 WeakPolarHBondContact CA-O 3.25Å
61	I	93.5	Very high	78.9	Confident	63 Å²	63	70.6 Å²	70.6	32%	0.323	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.9	162	-59.2	164.3	0	0	0	107.6	I63 Y79 V80 D82 V86	I61-I63 HydrophobicContact CG2-CG1 4.3Å; I61-Y79 CarbonylContact O-C 3.6Å; I61-Y79 WeakPolarHBondContact O-CA 3.27Å; I61-V80 PolarHBondContact N-O 2.63Å; I61-V80 PolarHBondContact O-N 3.29Å; I61-D82 HydrophobicContact CG1-CB 4.46Å; I61-V86 HydrophobicContact CD1-CG2 4.07Å
62	C	92	Very high	78	Confident	43 Å²	43	77.4 Å²	77.4	29%	0.291	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.9	176.2	-177.9	0	0	0	0	110.1	Y79	C62-Y79 HydrophobicContact CB-CD1 4.09Å; C62-Y79 HydrophobicContact CB-CE1 3.95Å
63	I	89.8	Confident	77.5	Confident	40 Å²	40	70.6 Å²	70.6	21%	0.205	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.5	172.5	-59.2	154.9	0	0	0	106.8	I61 I77 L78 V80 V86 T89	I61-I63 HydrophobicContact CG2-CG1 4.3Å; I63-I77 CarbonylContact O-C 3.56Å; I63-I77 WeakPolarHBondContact O-CA 3.21Å; I63-L78 HydrophobicContact CB-CB 4.27Å; I63-L78 HydrophobicContact CD1-CD2 4.26Å; I63-L78 PolarHBondContact N-O 3.46Å; I63-L78 PolarHBondContact O-N 3.01Å; I63-V80 HydrophobicContact CD1-CG2 3.98Å; I63-V86 HydrophobicContact CD1-CG1 4.15Å; I63-V86 HydrophobicContact CD1-CG2 4.34Å; I63-T89 HydrophobicContact CD1-CG2 3.65Å; I63-T89 HydrophobicContact CG1-CG2 4Å; I63-T89 HydrophobicContact CG2-CG2 3.79Å
64	R	87	Confident	77.1	Confident	69 Å²	69	68.5 Å²	68.5	26%	0.26	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	-172.7	174.5	172.9	155.2	-179.3	-1.9	110.2	T48 V51 Y53 D66 I77	T48-R64 PolarHBondContact O-NH2 3.46Å; T48-R64 VanDerWaalsContact O-NH2 3.08Å; V51-R64 PolarHBondContact O-NH2 3Å; Y53-R64 PolarHBondContact O-NH1 3.45Å; R64-D66 WeakPolarHBondContact CG-OD1 3.08Å; R64-D66 IonicContact CZ-OD1 3.36Å; R64-D66 IonicContact CZ-OD2 3.13Å; R64-D66 IonicContact NE-OD1 2.63Å; R64-D66 PolarHBondContact NE-OD1 2.9Å; R64-D66 IonicContact NE-OD2 2.94Å; R64-D66 PolarHBondContact NE-OD2 3.06Å; R64-D66 IonicContact NH2-OD1 3.35Å; R64-D66 PolarHBondContact NH2-OD1 2.89Å; R64-D66 IonicContact NH2-OD2 2.66Å; R64-D66 PolarHBondContact NH2-OD2 3.45Å; R64-I77 HydrophobicContact CB-CG1 4.09Å; R64-I77 HydrophobicContact CG-CD1 4.29Å; R64-I77 HydrophobicContact CG-CG1 3.94Å
65	S	85.1	Confident	77.5	Confident	32 Å²	32	65.4 Å²	65.4	22%	0.224	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	105.6	170.8	-174.8	0	0	0	0	108.2	D75 T76	S65-D75 CarbonylContact O-C 3.6Å; S65-D75 VanDerWaalsContact O-CA 3.31Å; S65-D75 WeakPolarHBondContact O-CA 3.47Å; S65-T76 PolarHBondContact N-O 2.9Å; S65-T76 PolarHBondContact O-N 3Å
66	D	81.4	Confident	78	Confident	39 Å²	39	68 Å²	68	21%	0.209	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-88.1	148.7	179.7	-76.8	-15.6	0	0	0	112.4	T48 V49 R64	T48-D66 VanDerWaalsContact C-OD2 3.3Å; V49-D66 WeakPolarHBondContact CA-OD2 3.38Å; V49-D66 HydrophobicContact CG1-CB 3.79Å; V49-D66 PolarHBondContact N-OD2 3.33Å; R64-D66 WeakPolarHBondContact CG-OD1 3.08Å; R64-D66 IonicContact CZ-OD1 3.36Å; R64-D66 IonicContact CZ-OD2 3.13Å; R64-D66 IonicContact NE-OD1 2.63Å; R64-D66 PolarHBondContact NE-OD1 2.9Å; R64-D66 IonicContact NE-OD2 2.94Å; R64-D66 PolarHBondContact NE-OD2 3.06Å; R64-D66 IonicContact NH2-OD1 3.35Å; R64-D66 PolarHBondContact NH2-OD1 2.89Å; R64-D66 IonicContact NH2-OD2 2.66Å; R64-D66 PolarHBondContact NH2-OD2 3.45Å
67	G	69.2	Low	78.2	Confident	10 Å²	10	63.5 Å²	63.5	10%	0.103	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-72.8	146.3	170.6	0	0	0	0	0	111.5	L47 D75	L47-G67 PolarHBondContact O-N 2.66Å; G67-D75 WeakPolarHBondContact CA-OD1 3.34Å; G67-D75 PolarHBondContact N-OD1 3.23Å
68	I	67.1	Low	78.4	Confident	125 Å²	125	66.8 Å²	66.8	64%	0.641	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-69.9	135.7	162.7	-56.6	171.5	0	0	0	107.3	N70 L71	I68-N70 PolarHBondContact O-N 3.41Å; I68-L71 HydrophobicContact CB-CD1 4.09Å; I68-L71 HydrophobicContact CD1-CD1 4.48Å; I68-L71 PolarHBondContact O-N 3.26Å; I68-L71 VanDerWaalsContact O-N 3.07Å
69	I	58.4	Low	78.5	Confident	82 Å²	82	58.7 Å²	58.7	42%	0.421	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.3	-179.4	-43.9	164.8	0	0	0	109.4	N50	N50-I69 WeakPolarHBondContact ND2-CD1 3.24Å
70	N	56.2	Low	78.5	Confident	161 Å²	161	57.9 Å²	57.9	86%	0.861	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	3.9	-179.4	-47.7	-45.9	0	0	0	117.7	I68	I68-N70 PolarHBondContact O-N 3.41Å
71	L	56.5	Low	78.5	Confident	107 Å²	107	56.2 Å²	56.2	56%	0.56	31%	0.31	S	S	*	.			trans	-87.4	135.6	164.4	-70.1	173.6	0	0	0	110.1	I68	I68-L71 HydrophobicContact CB-CD1 4.09Å; I68-L71 HydrophobicContact CD1-CD1 4.48Å; I68-L71 PolarHBondContact O-N 3.26Å; I68-L71 VanDerWaalsContact O-N 3.07Å
72	K	54.8	Low	78.6	Confident	186 Å²	186	58.3 Å²	58.3	81%	0.809	32%	0.322	S	S	*	.	S	Bend	trans	-88.7	121.7	175.6	-79.9	-172.8	172.7	-176.6	0	109.2
73	G	56	Low	78.6	Confident	36 Å²	36	62.3 Å²	62.3	37%	0.371	34%	0.336	S	S	.	.	S	Bend	trans	78.9	141.7	177.1	0	0	0	0	0	112.3
74	G	62.4	Low	78.7	Confident	37 Å²	37	64.1 Å²	64.1	38%	0.381	34%	0.343	S	S	.	.			trans	138.5	-21.3	178.4	0	0	0	0	0	113.9	T76	G74-T76 PolarHBondContact O-N 3.3Å
75	D	82.2	Confident	78.9	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.048	37%	0.367	C	S	.	.			trans	-80.3	116.6	-170.1	-42.9	-15.2	0	0	0	110.1	T43 E44 T45 W46 L47 S65 G67	T43-D75 CarbonylContact C-O 3.59Å; E44-D75 PolarHBondContact N-O 2.79Å; T45-D75 PolarHBondContact N-O 2.95Å; T45-D75 WeakPolarHBondContact OG1-CB 3.35Å; W46-D75 WeakPolarHBondContact CA-OD2 3.2Å; W46-D75 PolarHBondContact N-OD2 2.87Å; L47-D75 PolarHBondContact N-OD2 3.08Å; L47-D75 VanDerWaalsContact N-OD2 3.16Å; L47-D75 VanDerWaalsContact O-CG 3.26Å; L47-D75 VanDerWaalsContact O-OD2 3.08Å; S65-D75 CarbonylContact O-C 3.6Å; S65-D75 VanDerWaalsContact O-CA 3.31Å; S65-D75 WeakPolarHBondContact O-CA 3.47Å; G67-D75 WeakPolarHBondContact CA-OD1 3.34Å; G67-D75 PolarHBondContact N-OD1 3.23Å
76	T	88.3	Confident	79.2	Confident	56 Å²	56	65.8 Å²	65.8	34%	0.344	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.2	-176	54.3	0	0	0	0	111.2	V42 T43 S65 G74	V42-T76 CarbonylContact O-C 3.53Å; V42-T76 VanDerWaalsContact O-CA 3.24Å; V42-T76 WeakPolarHBondContact O-CA 3.49Å; T43-T76 HydrophobicContact CG2-CG2 4.01Å; S65-T76 PolarHBondContact N-O 2.9Å; S65-T76 PolarHBondContact O-N 3Å; G74-T76 PolarHBondContact O-N 3.3Å
77	I	90.5	Very high	79.6	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.7	167.6	-66.7	-179.9	0	0	0	108.3	L21 V42 T45 L47 P55 I63 R64 Y79	L21-I77 HydrophobicContact CD2-CD1 3.81Å; V42-I77 HydrophobicContact CB-CB 4.33Å; V42-I77 PolarHBondContact N-O 2.78Å; V42-I77 PolarHBondContact O-N 2.97Å; T45-I77 HydrophobicContact CG2-CB 4.42Å; T45-I77 HydrophobicContact CG2-CD1 4.32Å; T45-I77 HydrophobicContact CG2-CG1 4.06Å; L47-I77 HydrophobicContact CD1-CD1 3.63Å; P55-I77 HydrophobicContact CG-CD1 3.37Å; I63-I77 CarbonylContact O-C 3.56Å; I63-I77 WeakPolarHBondContact O-CA 3.21Å; R64-I77 HydrophobicContact CB-CG1 4.09Å; R64-I77 HydrophobicContact CG-CD1 4.29Å; R64-I77 HydrophobicContact CG-CG1 3.94Å; I77-Y79 HydrophobicContact CB-CE2 4.37Å; I77-Y79 HydrophobicContact CG2-CD1 4.4Å; I77-Y79 HydrophobicContact CG2-CD2 3.88Å; I77-Y79 HydrophobicContact CG2-CE1 4Å; I77-Y79 HydrophobicContact CG2-CE2 3.42Å; I77-Y79 VanDerWaalsContact CG2-CE2 3.42Å; I77-Y79 HydrophobicContact CG2-CG 4.36Å
78	L	93	Very high	80.5	Confident	71 Å²	71	74.7 Å²	74.7	37%	0.372	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.4	169.4	-166.3	74.7	0	0	0	108.4	I39 T40 I63 V80	I39-L78 HydrophobicContact CG2-CD1 3.5Å; I39-L78 HydrophobicContact CG2-CG 4.03Å; T40-L78 CarbonylContact O-C 3.55Å; T40-L78 WeakPolarHBondContact O-CA 3.44Å; I63-L78 HydrophobicContact CB-CB 4.27Å; I63-L78 HydrophobicContact CD1-CD2 4.26Å; I63-L78 PolarHBondContact N-O 3.46Å; I63-L78 PolarHBondContact O-N 3.01Å; L78-V80 HydrophobicContact CD2-CG2 3.93Å; L78-V80 HydrophobicContact CG-CG2 4.09Å
79	Y	94.7	Very high	81.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.1	167.7	-60	-80.5	0	0	0	108.9	L28 I39 T40 V42 P55 V57 I61 C62 I77	L28-Y79 HydrophobicContact CD2-CE2 3.89Å; I39-Y79 CarbonylContact C-O 3.56Å; I39-Y79 VanDerWaalsContact CA-O 3.25Å; I39-Y79 WeakPolarHBondContact CA-O 3.34Å; T40-Y79 HydrophobicContact CG2-CD2 4.02Å; T40-Y79 PolarHBondContact N-O 2.81Å; T40-Y79 PolarHBondContact O-N 3.44Å; V42-Y79 HydrophobicContact CG2-CD2 4.29Å; V42-Y79 HydrophobicContact CG2-CE2 3.93Å; P55-Y79 WeakPolarHBondContact CB-OH 3Å; P55-Y79 VanDerWaalsContact CG-OH 3.32Å; P55-Y79 WeakPolarHBondContact CG-OH 3.41Å; P55-Y79 WeakPolarHBondContact O-CE1 3.41Å; P55-Y79 PolarHBondContact O-OH 3.33Å; V57-Y79 HydrophobicContact CB-CD1 4.14Å; V57-Y79 HydrophobicContact CB-CE1 4.13Å; V57-Y79 HydrophobicContact CG2-CD1 3.86Å; V57-Y79 HydrophobicContact CG2-CE1 3.49Å; V57-Y79 VanDerWaalsContact CG2-CE1 3.49Å; V57-Y79 HydrophobicContact CG2-CE2 4.27Å; V57-Y79 HydrophobicContact CG2-CG 4.38Å; I61-Y79 CarbonylContact O-C 3.6Å; I61-Y79 WeakPolarHBondContact O-CA 3.27Å; C62-Y79 HydrophobicContact CB-CD1 4.09Å; C62-Y79 HydrophobicContact CB-CE1 3.95Å; I77-Y79 HydrophobicContact CB-CE2 4.37Å; I77-Y79 HydrophobicContact CG2-CD1 4.4Å; I77-Y79 HydrophobicContact CG2-CD2 3.88Å; I77-Y79 HydrophobicContact CG2-CE1 4Å; I77-Y79 HydrophobicContact CG2-CE2 3.42Å; I77-Y79 VanDerWaalsContact CG2-CE2 3.42Å; I77-Y79 HydrophobicContact CG2-CG 4.36Å
80	V	95.1	Very high	82.2	Confident	12 Å²	12	74.2 Å²	74.2	7%	0.073	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	176.2	179.9	0	0	0	0	107.6	Y60 I61 I63 L78 D82 F84 V86	Y60-V80 CarbonylContact C-O 3.49Å; Y60-V80 WeakPolarHBondContact CA-O 3.25Å; I61-V80 PolarHBondContact N-O 2.63Å; I61-V80 PolarHBondContact O-N 3.29Å; I63-V80 HydrophobicContact CD1-CG2 3.98Å; L78-V80 HydrophobicContact CD2-CG2 3.93Å; L78-V80 HydrophobicContact CG-CG2 4.09Å; V80-D82 PolarHBondContact O-N 2.93Å; V80-F84 HydrophobicContact CG1-CB 3.74Å; V80-F84 HydrophobicContact CG1-CD2 4.1Å; V80-F84 HydrophobicContact CG1-CG 4.2Å; V80-V86 HydrophobicContact CB-CG2 4.3Å; V80-V86 HydrophobicContact CG1-CG2 4.07Å
81	G	95.4	Very high	82.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.01	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	135.7	178	0	0	0	0	0	111.4	N38 H83 F84	N38-G81 PolarHBondContact O-N 3.16Å; G81-H83 PolarHBondContact O-N 2.77Å; G81-F84 WeakPolarHBondContact O-CB 2.87Å; G81-F84 WeakPolarHBondContact O-CD2 3.31Å; G81-F84 PolarHBondContact O-N 2.73Å
82	D	95	Very high	83.5	Confident	106 Å²	106	74.4 Å²	74.4	57%	0.567	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.7	-172.1	64.5	0.8	0	0	0	115	G59 I61 V80 F84	G59-D82 WeakPolarHBondContact CA-OD2 3.19Å; G59-D82 PolarHBondContact O-N 3.24Å; I61-D82 HydrophobicContact CG1-CB 4.46Å; V80-D82 PolarHBondContact O-N 2.93Å; D82-F84 VanDerWaalsContact C-N 3.31Å
83	H	92.5	Very high	84	Confident	128 Å²	128	70.4 Å²	70.4	59%	0.593	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10	171.5	56.1	-86	0	0	0	113.6	G81	G81-H83 PolarHBondContact O-N 2.77Å
84	F	91.8	Very high	84.2	Confident	77 Å²	77	74.5 Å²	74.5	34%	0.338	45%	0.445	S	S	.	.	S	Bend	trans	-89.9	136.7	171.1	-68.2	-80	0	0	0	111.3	L11 N38 V80 G81 D82 V86	L11-F84 HydrophobicContact CD1-CE1 4.37Å; L11-F84 HydrophobicContact CD1-CZ 3.88Å; N38-F84 HydrophobicContact CB-CE2 3.59Å; N38-F84 HydrophobicContact CB-CZ 3.88Å; V80-F84 HydrophobicContact CG1-CB 3.74Å; V80-F84 HydrophobicContact CG1-CD2 4.1Å; V80-F84 HydrophobicContact CG1-CG 4.2Å; G81-F84 WeakPolarHBondContact O-CB 2.87Å; G81-F84 WeakPolarHBondContact O-CD2 3.31Å; G81-F84 PolarHBondContact O-N 2.73Å; D82-F84 VanDerWaalsContact C-N 3.31Å; F84-V86 PolarHBondContact O-N 3.33Å
85	G	91.9	Very high	83.8	Confident	75 Å²	75	80.4 Å²	80.4	77%	0.773	47%	0.468	S	S	*	.			trans	-78.9	115.1	166.7	0	0	0	0	0	110.8
86	V	90	Very high	82.3	Confident	61 Å²	61	87 Å²	87	37%	0.37	50%	0.501	S	S	.	.			trans	-88.4	116.8	170	-179.4	0	0	0	0	108.8	I61 I63 V80 F84 T89	I61-V86 HydrophobicContact CD1-CG2 4.07Å; I63-V86 HydrophobicContact CD1-CG1 4.15Å; I63-V86 HydrophobicContact CD1-CG2 4.34Å; V80-V86 HydrophobicContact CB-CG2 4.3Å; V80-V86 HydrophobicContact CG1-CG2 4.07Å; F84-V86 PolarHBondContact O-N 3.33Å; V86-T89 HydrophobicContact CG1-CG2 3.75Å
87	T	91.2	Very high	80.5	Confident	143 Å²	143	87.4 Å²	87.4	88%	0.877	52%	0.517	S	S	*	.			trans	-94	-34.2	-176.7	51.4	0	0	0	0	113.4
88	S	88.7	Confident	78.5	Confident	93 Å²	93	92.1 Å²	92.1	65%	0.65	55%	0.545	S	S	*	.			trans	-153.8	154.2	176.5	59.8	0	0	0	0	111.2
89	T	83.1	Confident	76.3	Confident	81 Å²	81	93.8 Å²	93.8	50%	0.497	56%	0.562	S	S	.	*			trans	-137.5	123.9	172.5	53.7	0	0	0	0	107.9	I63 V86	I63-T89 HydrophobicContact CD1-CG2 3.65Å; I63-T89 HydrophobicContact CG1-CG2 4Å; I63-T89 HydrophobicContact CG2-CG2 3.79Å; V86-T89 HydrophobicContact CG1-CG2 3.75Å
90	T	76.8	Confident	73.8	Confident	116 Å²	116	101.5 Å²	101.5	71%	0.712	60%	0.598	S	S	*	*			trans	-118.4	112.2	177.3	46.3	0	0	0	0	109	E92	T90-E92 PolarHBondContact O-N 3.32Å
91	P	71.2	Confident	71.2	Confident	99 Å²	99	107.7 Å²	107.7	64%	0.643	63%	0.629	S	S	*	*			trans	-73.3	126	170.1	29.4	-30.7	0	0	0	108.9
92	E	69.2	Low	68.4	Low	174 Å²	174	115.5 Å²	115.5	81%	0.813	69%	0.694	S	S	*	*			trans	-113.4	134.1	167.2	-70.9	-171.3	169.2	0	0	108.3	T90	T90-E92 PolarHBondContact O-N 3.32Å
93	V	66.1	Low	67.1	Low	102 Å²	102	116 Å²	116	62%	0.618	70%	0.7	S	S	*	*			trans	-123.9	111.1	176.9	-170.9	0	0	0	0	106.2
94	D	59.5	Low	65.7	Low	121 Å²	121	115.4 Å²	115.4	65%	0.647	71%	0.706	S	S	*	*			trans	-78.4	121.7	170.9	-80.7	-30.7	0	0	0	109.2	I96	D94-I96 PolarHBondContact O-N 2.83Å; D94-I96 VanDerWaalsContact O-N 3.14Å
95	D	54.9	Low	64.3	Low	162 Å²	162	117.5 Å²	117.5	87%	0.866	73%	0.726	S	S	*	*	S	Bend	trans	-67.2	-6.1	174	-93.7	-22.4	0	0	0	112.8
96	I	50.5	Low	62.7	Low	148 Å²	148	120 Å²	120	76%	0.759	72%	0.723	S	S	*	*	S	Bend	trans	-104.5	104.8	-176.4	-59.9	175.1	0	0	0	108.7	D94	D94-I96 PolarHBondContact O-N 2.83Å; D94-I96 VanDerWaalsContact O-N 3.14Å
97	G	48.8	Very low	61	Low	64 Å²	64	123.7 Å²	123.7	66%	0.66	75%	0.746	S	S	*	*	S	Bend	trans	-2.3	117.3	174.3	0	0	0	0	0	118.6
98	T	49.6	Very low	58.9	Low	100 Å²	100	122.4 Å²	122.4	61%	0.613	74%	0.737	S	S	*	*			trans	37.7	99.8	159.4	54.8	0	0	0	0	115.8	E100	T98-E100 PolarHBondContact O-N 3.07Å
99	C	47.5	Very low	56.8	Low	106 Å²	106	124.5 Å²	124.5	72%	0.716	74%	0.743	S	S	*	*			trans	-66.4	82.6	157	-72.5	0	0	0	0	109.7	I101	C99-I101 PolarHBondContact O-N 3.24Å
100	E	40.9	Very low	54.8	Low	162 Å²	162	127.8 Å²	127.8	76%	0.757	76%	0.762	S	S	*	*			trans	-75.6	105.7	160.8	-61.5	-164.4	-170.9	0	0	107.4	T98 A102	T98-E100 PolarHBondContact O-N 3.07Å; E100-A102 PolarHBondContact O-N 3.14Å
101	I	41.5	Very low	53	Low	142 Å²	142	128.8 Å²	128.8	73%	0.728	77%	0.766	S	S	*	*			trans	-79.5	108.2	168.3	-35.4	178.7	0	0	0	105.7	C99	C99-I101 PolarHBondContact O-N 3.24Å
102	A	36	Very low	51.3	Low	166 Å²	166	131.5 Å²	131.5	100%	1.372	78%	0.777	S	S	*	*			trans	-70.9	0	178.9	0	0	0	0	0	112.6	E100	E100-A102 PolarHBondContact O-N 3.14Å

Retrieved 102 of 102 residues in 27.6 ms (Link to these results)

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