A0A3Q0KBX0_SCHMA Loading...

Cysteine protease inhibitor

AlphaFold DB (Q7YW72), UniProt , Accession A0A3Q0KBX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 101 aa.

						>A0A3Q0KBX0_SCHMA|A0A3Q0KBX0
MPLCCGGIGTPREPSAEEKEKLKTLLESKLESHIGRKPRSFEIVQITSQVVAGTNHFVKVKLDNGEYIHARIFEPLPCHGKELQLHSVVKDKKESDALEYF
					

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	38.6	Very low	62.2	Low	227 Å²	227	102.4 Å²	102.4	100%	1.118	66%	0.66	S	S	*	*				0	129.4	0	-61.2	176	-174.1	0	0	106.6	L3	M1-L3 PolarHBondContact O-N 3.38Å; M1-L3 VanDerWaalsContact O-N 3.07Å
2	P	44.4	Very low	64.8	Low	123 Å²	123	103.3 Å²	103.3	80%	0.799	64%	0.64	S	S	*	*			trans	-64.5	114.4	-176.1	26.8	-29.9	0	0	0	107.8	C4	P2-C4 PolarHBondContact O-N 3.16Å
3	L	53.7	Low	66.9	Low	163 Å²	163	106.8 Å²	106.8	85%	0.853	65%	0.645	S	S	*	*			trans	-64.8	95.3	162	-75.2	119.5	0	0	0	105.1	M1 C5	M1-L3 PolarHBondContact O-N 3.38Å; M1-L3 VanDerWaalsContact O-N 3.07Å; L3-C5 VanDerWaalsContact C-N 3.35Å; L3-C5 PolarHBondContact O-N 3.45Å
4	C	46.5	Very low	68.7	Low	107 Å²	107	99.8 Å²	99.8	72%	0.723	60%	0.603	S	S	*	*			trans	-52.9	107	167.4	-85.1	0	0	0	0	106.8	P2 G6 G7	P2-C4 PolarHBondContact O-N 3.16Å; C4-G6 PolarHBondContact O-N 3.41Å; C4-G7 PolarHBondContact O-N 2.7Å; C4-G7 VanDerWaalsContact O-N 3.13Å
5	C	49	Very low	70.3	Confident	138 Å²	138	97.1 Å²	97.1	93%	0.932	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	109.3	-173	-63.9	0	0	0	0	109.4	L3	L3-C5 VanDerWaalsContact C-N 3.35Å; L3-C5 PolarHBondContact O-N 3.45Å
6	G	55.8	Low	71.6	Confident	60 Å²	60	95.6 Å²	95.6	62%	0.619	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.5	-12	175.5	0	0	0	0	0	116.5	C4 Q49	C4-G6 PolarHBondContact O-N 3.41Å; G6-Q49 PolarHBondContact O-NE2 2.65Å; G6-Q49 VanDerWaalsContact O-NE2 3.11Å
7	G	68	Low	72.8	Confident	51 Å²	51	99.5 Å²	99.5	53%	0.526	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-67	142.1	178.2	0	0	0	0	0	113	C4	C4-G7 PolarHBondContact O-N 2.7Å; C4-G7 VanDerWaalsContact O-N 3.13Å
8	I	77.6	Confident	73.8	Confident	43 Å²	43	96.3 Å²	96.3	22%	0.221	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-62.7	137.8	162.6	-73.1	176.1	0	0	0	108	T47 Q49 F57 Y100	I8-T47 HydrophobicContact CG2-CG2 3.24Å; I8-T47 WeakPolarHBondContact CG2-OG1 3.16Å; I8-Q49 HydrophobicContact CG1-CB 4.26Å; I8-F57 HydrophobicContact CD1-CD1 4.37Å; I8-F57 HydrophobicContact CD1-CD2 3.87Å; I8-F57 HydrophobicContact CD1-CE1 4.14Å; I8-F57 HydrophobicContact CD1-CE2 3.62Å; I8-F57 HydrophobicContact CD1-CG 4.26Å; I8-F57 HydrophobicContact CD1-CZ 3.77Å; I8-F57 HydrophobicContact CG1-CD2 4.17Å; I8-F57 HydrophobicContact CG1-CE2 3.79Å; I8-F57 HydrophobicContact CG1-CZ 4.3Å; I8-F57 HydrophobicContact CG2-CD2 4.4Å; I8-Y100 VanDerWaalsContact CD1-CA 3.45Å; I8-Y100 HydrophobicContact CD1-CD2 4.49Å
9	G	78.8	Confident	74.8	Confident	32 Å²	32	95.3 Å²	95.3	33%	0.33	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-62.5	170.2	179.1	0	0	0	0	0	112.9	T47 S48	G9-T47 WeakPolarHBondContact CA-OG1 3.29Å; G9-T47 PolarHBondContact N-OG1 2.92Å; G9-T47 PolarHBondContact O-OG1 2.84Å; G9-S48 PolarHBondContact N-O 3.27Å
10	T	84.4	Confident	75.7	Confident	128 Å²	128	97.3 Å²	97.3	79%	0.785	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.4	127.8	173.8	-51.2	0	0	0	0	109.8	R12	T10-R12 PolarHBondContact O-N 3.31Å
11	P	87.8	Confident	76.4	Confident	54 Å²	54	97.2 Å²	97.2	35%	0.351	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-63	128.7	175.2	27.1	-33.7	0	0	0	110	Q45 I46 L98	P11-Q45 HydrophobicContact CB-CB 4.45Å; P11-I46 WeakPolarHBondContact CA-O 3.49Å; P11-L98 HydrophobicContact CB-CD1 4.39Å
12	R	92.6	Very high	78.9	Confident	113 Å²	113	86.7 Å²	86.7	43%	0.426	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-126.7	167.8	179.5	65.7	171.5	179	91.5	1	110.5	T10 E18 Q45 I46	T10-R12 PolarHBondContact O-N 3.31Å; R12-E18 IonicContact CZ-OE1 3.57Å; R12-E18 IonicContact CZ-OE2 3.54Å; R12-E18 IonicContact NH1-OE2 2.74Å; R12-E18 PolarHBondContact NH1-OE2 3.45Å; R12-E18 VanDerWaalsContact NH2-CD 3.29Å; R12-E18 IonicContact NH2-OE1 3.74Å; R12-E18 PolarHBondContact NH2-OE1 3.27Å; R12-E18 IonicContact NH2-OE2 2.7Å; R12-E18 PolarHBondContact NH2-OE2 3.42Å; R12-Q45 WeakPolarHBondContact O-CA 3.38Å; R12-I46 HydrophobicContact CG-CG2 4.01Å; R12-I46 PolarHBondContact N-O 3.03Å; R12-I46 PolarHBondContact O-N 2.74Å
13	E	92.4	Very high	81.2	Confident	150 Å²	150	85.5 Å²	85.5	70%	0.701	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-71.1	134.3	168.2	-66.9	-177.2	81.1	0	0	109.9
14	P	92	Very high	83	Confident	8 Å²	8	82.4 Å²	82.4	5%	0.052	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-72.3	144.5	175.4	14.5	-10.7	0	0	0	111	E18 K19 I43 I46	P14-E18 HydrophobicContact CB-CB 4.12Å; P14-K19 HydrophobicContact CB-CG 3.81Å; P14-K19 HydrophobicContact CG-CD 4.32Å; P14-K19 HydrophobicContact CG-CG 3.74Å; P14-K19 VanDerWaalsContact O-CE 3.27Å; P14-K19 WeakPolarHBondContact O-CE 3.36Å; P14-I43 HydrophobicContact CG-CB 4.27Å; P14-I43 HydrophobicContact CG-CG2 3.64Å; P14-I46 HydrophobicContact CB-CB 4.1Å; P14-I46 HydrophobicContact CB-CG2 3.62Å; P14-I46 HydrophobicContact CG-CB 4.22Å; P14-I46 HydrophobicContact CG-CG2 4.06Å
15	S	92.6	Very high	85.2	Confident	60 Å²	60	78.5 Å²	78.5	42%	0.42	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-65	160.1	172.8	-63.3	0	0	0	0	111.3	E17 E18 K19	S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.91Å; S15-E18 WeakPolarHBondContact CB-OE2 3.41Å; S15-E18 PolarHBondContact N-OE2 2.74Å; S15-E18 PolarHBondContact O-N 3.38Å; S15-E18 VanDerWaalsContact O-N 3.12Å; S15-E18 PolarHBondContact OG-OE2 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.38Å; S15-K19 PolarHBondContact O-N 2.96Å
16	A	92.2	Very high	87.1	Confident	73 Å²	73	72 Å²	72	60%	0.603	41%	0.408	S	S	*	.	H	α-helix	trans	-53.6	-46.4	178.7	0	0	0	0	0	112.4	E18 K19 E20	A16-E18 PolarHBondContact O-N 2.79Å; A16-K19 WeakPolarHBondContact O-CB 3.37Å; A16-K19 PolarHBondContact O-N 3.1Å; A16-E20 PolarHBondContact O-N 3.23Å
17	E	91.3	Very high	88.8	Confident	162 Å²	162	73 Å²	73	76%	0.757	40%	0.397	S	S	*	.	H	α-helix	trans	-62.2	-41.9	177.5	-62.3	174.3	88.3	0	0	112.7	S15 E20 K21	S15-E17 VanDerWaalsContact C-N 3.3Å; S15-E17 PolarHBondContact O-N 2.91Å; E17-E20 PolarHBondContact O-N 2.79Å; E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 PolarHBondContact O-N 3.02Å
18	E	90.4	Very high	89.8	Confident	42 Å²	42	75 Å²	75	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-63.6	-45	175.5	-68.1	179	104.2	0	0	110.2	R12 P14 S15 A16 E20 K21 L22	R12-E18 IonicContact CZ-OE1 3.57Å; R12-E18 IonicContact CZ-OE2 3.54Å; R12-E18 IonicContact NH1-OE2 2.74Å; R12-E18 PolarHBondContact NH1-OE2 3.45Å; R12-E18 VanDerWaalsContact NH2-CD 3.29Å; R12-E18 IonicContact NH2-OE1 3.74Å; R12-E18 PolarHBondContact NH2-OE1 3.27Å; R12-E18 IonicContact NH2-OE2 2.7Å; R12-E18 PolarHBondContact NH2-OE2 3.42Å; P14-E18 HydrophobicContact CB-CB 4.12Å; S15-E18 WeakPolarHBondContact CB-OE2 3.41Å; S15-E18 PolarHBondContact N-OE2 2.74Å; S15-E18 PolarHBondContact O-N 3.38Å; S15-E18 VanDerWaalsContact O-N 3.12Å; S15-E18 PolarHBondContact OG-OE2 3.31Å; A16-E18 PolarHBondContact O-N 2.79Å; E18-E20 VanDerWaalsContact C-N 3.34Å; E18-E20 PolarHBondContact O-N 2.91Å; E18-K21 PolarHBondContact O-N 2.86Å; E18-L22 HydrophobicContact CB-CD1 4.13Å; E18-L22 VanDerWaalsContact O-CB 3.24Å; E18-L22 WeakPolarHBondContact O-CB 3.4Å; E18-L22 WeakPolarHBondContact O-CD1 3.47Å; E18-L22 WeakPolarHBondContact O-CG 3.42Å; E18-L22 PolarHBondContact O-N 2.99Å
19	K	92.4	Very high	90.4	Very high	77 Å²	77	77.8 Å²	77.8	34%	0.335	41%	0.413	S	S	.	.	H	α-helix	trans	-57.3	-47.6	177.9	-74.3	-177.9	176.7	177.5	0	110.9	P14 S15 A16 K23	P14-K19 HydrophobicContact CB-CG 3.81Å; P14-K19 HydrophobicContact CG-CD 4.32Å; P14-K19 HydrophobicContact CG-CG 3.74Å; P14-K19 VanDerWaalsContact O-CE 3.27Å; P14-K19 WeakPolarHBondContact O-CE 3.36Å; S15-K19 WeakPolarHBondContact O-CG 3.38Å; S15-K19 PolarHBondContact O-N 2.96Å; A16-K19 WeakPolarHBondContact O-CB 3.37Å; A16-K19 PolarHBondContact O-N 3.1Å; K19-K23 WeakPolarHBondContact O-CB 3.26Å; K19-K23 PolarHBondContact O-N 3.25Å
20	E	92.8	Very high	90.8	Very high	134 Å²	134	76.3 Å²	76.3	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-65.5	-46	179.8	-70.7	-171.3	98.2	0	0	112.8	A16 E17 E18 K23 T24	A16-E20 PolarHBondContact O-N 3.23Å; E17-E20 PolarHBondContact O-N 2.79Å; E18-E20 VanDerWaalsContact C-N 3.34Å; E18-E20 PolarHBondContact O-N 2.91Å; E20-K23 PolarHBondContact O-N 3.16Å; E20-T24 PolarHBondContact O-N 2.85Å; E20-T24 PolarHBondContact O-OG1 3.13Å
21	K	91	Very high	91	Very high	97 Å²	97	75.2 Å²	75.2	42%	0.422	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-48	178	-170.7	-174.3	-178.3	-165.6	0	111.4	E17 E18 T24 L25 E74 L83	E17-K21 WeakPolarHBondContact O-CB 3.43Å; E17-K21 PolarHBondContact O-N 3.02Å; E18-K21 PolarHBondContact O-N 2.86Å; K21-T24 PolarHBondContact O-N 2.72Å; K21-L25 PolarHBondContact O-N 2.6Å; K21-L25 VanDerWaalsContact O-N 3.15Å; K21-E74 IonicContact NZ-OE2 3.17Å; K21-E74 PolarHBondContact NZ-OE2 2.83Å; K21-E74 VanDerWaalsContact NZ-OE2 3.17Å; K21-L83 HydrophobicContact CD-CD1 3.59Å; K21-L83 HydrophobicContact CD-CG 4.43Å; K21-L83 HydrophobicContact CG-CD1 3.84Å
22	L	92	Very high	91.1	Very high	5 Å²	5	77.6 Å²	77.6	3%	0.026	40%	0.401	C	S	.	.	H	α-helix	trans	-71	-37.1	-178.4	-61.2	162.2	0	0	0	111	E18 L25 L26 I43 I46 V58 I72 L83	E18-L22 HydrophobicContact CB-CD1 4.13Å; E18-L22 VanDerWaalsContact O-CB 3.24Å; E18-L22 WeakPolarHBondContact O-CB 3.4Å; E18-L22 WeakPolarHBondContact O-CD1 3.47Å; E18-L22 WeakPolarHBondContact O-CG 3.42Å; E18-L22 PolarHBondContact O-N 2.99Å; L22-L25 PolarHBondContact O-N 3.29Å; L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.48Å; L22-I43 HydrophobicContact CB-CD1 3.54Å; L22-I43 HydrophobicContact CD1-CD1 4.45Å; L22-I46 HydrophobicContact CD1-CD1 3.53Å; L22-V58 HydrophobicContact CD1-CG1 3.89Å; L22-I72 HydrophobicContact CD2-CD1 3.43Å; L22-I72 VanDerWaalsContact CD2-CD1 3.43Å; L22-I72 HydrophobicContact CD2-CG2 4.43Å; L22-L83 HydrophobicContact CD2-CD1 3.92Å
23	K	91.9	Very high	90.9	Very high	98 Å²	98	76.3 Å²	76.3	43%	0.426	40%	0.4	S	S	.	.	H	α-helix	trans	-59.8	-47.5	174.3	-176.7	-179.2	179.5	-175.6	0	111.1	K19 E20 L25 L26 E27 F41	K19-K23 WeakPolarHBondContact O-CB 3.26Å; K19-K23 PolarHBondContact O-N 3.25Å; E20-K23 PolarHBondContact O-N 3.16Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.49Å; K23-L26 PolarHBondContact O-N 3.2Å; K23-E27 WeakPolarHBondContact CE-OE2 3.04Å; K23-E27 HydrophobicContact CG-CG 4.47Å; K23-E27 WeakPolarHBondContact O-CB 3.48Å; K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 3.02Å; K23-F41 HydrophobicContact CB-CE2 4.24Å; K23-F41 HydrophobicContact CB-CZ 4.43Å; K23-F41 HydrophobicContact CG-CE2 3.85Å; K23-F41 HydrophobicContact CG-CZ 3.77Å
24	T	91.8	Very high	90.5	Very high	98 Å²	98	70.7 Å²	70.7	60%	0.601	37%	0.374	S	S	*	.	H	α-helix	trans	-59.9	-44.5	178.1	-55.2	0	0	0	0	111.7	E20 K21 S28	E20-T24 PolarHBondContact O-N 2.85Å; E20-T24 PolarHBondContact O-OG1 3.13Å; K21-T24 PolarHBondContact O-N 2.72Å; T24-S28 PolarHBondContact O-N 2.78Å
25	L	91.5	Very high	90.3	Very high	26 Å²	26	73.6 Å²	73.6	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-63.1	-47.7	176.6	-178.1	72.5	0	0	0	112	K21 L22 K23 S28 K29 I72 L83	K21-L25 PolarHBondContact O-N 2.6Å; K21-L25 VanDerWaalsContact O-N 3.15Å; L22-L25 PolarHBondContact O-N 3.29Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.49Å; L25-S28 PolarHBondContact O-N 2.61Å; L25-K29 HydrophobicContact CD1-CG 4.17Å; L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 3.2Å; L25-I72 HydrophobicContact CD2-CB 4.46Å; L25-I72 HydrophobicContact CD2-CD1 4.06Å; L25-I72 HydrophobicContact CD2-CG1 4.03Å; L25-I72 HydrophobicContact CD2-CG2 3.6Å; L25-L83 VanDerWaalsContact CD1-O 3.27Å; L25-L83 WeakPolarHBondContact CD1-O 3.36Å; L25-L83 HydrophobicContact CD2-CB 3.69Å; L25-L83 HydrophobicContact CD2-CD1 4.45Å
26	L	90.4	Very high	89.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-43.1	179.4	-71.2	169.1	0	0	0	110.5	L22 K23 S28 K29 L30 F41 I43 V60 A70 I72 L85	L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.48Å; K23-L26 PolarHBondContact O-N 3.2Å; L26-S28 PolarHBondContact O-N 3.28Å; L26-K29 PolarHBondContact O-N 3.04Å; L26-L30 HydrophobicContact CB-CB 4.46Å; L26-L30 HydrophobicContact CD2-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CA 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 2.8Å; L26-F41 HydrophobicContact CB-CE2 3.85Å; L26-F41 HydrophobicContact CB-CZ 3.64Å; L26-F41 HydrophobicContact CD1-CE2 3.87Å; L26-I43 HydrophobicContact CD1-CD1 4.16Å; L26-I43 HydrophobicContact CD1-CG1 4.42Å; L26-V60 HydrophobicContact CD1-CG2 3.77Å; L26-A70 HydrophobicContact CD2-CB 3.79Å; L26-I72 HydrophobicContact CD2-CD1 4.49Å; L26-L85 HydrophobicContact CD2-CD1 4Å; L26-L85 HydrophobicContact CD2-CD2 4.27Å
27	E	90.3	Very high	89.6	Confident	83 Å²	83	78.1 Å²	78.1	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-56.5	-36.7	176.7	-79.6	-170.9	80.5	0	0	112.8	K23 F41	K23-E27 WeakPolarHBondContact CE-OE2 3.04Å; K23-E27 HydrophobicContact CG-CG 4.47Å; K23-E27 WeakPolarHBondContact O-CB 3.48Å; K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 3.02Å; E27-F41 HydrophobicContact CG-CE1 3.53Å; E27-F41 HydrophobicContact CG-CZ 3.66Å
28	S	89.6	Confident	89.3	Confident	91 Å²	91	71.4 Å²	71.4	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-80.3	-39.5	178.8	179.9	0	0	0	0	113.5	T24 L25 L26	T24-S28 PolarHBondContact O-N 2.78Å; L25-S28 PolarHBondContact O-N 2.61Å; L26-S28 PolarHBondContact O-N 3.28Å
29	K	90.8	Very high	89.1	Confident	103 Å²	103	80.1 Å²	80.1	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-99	-27.9	-171.5	-65.7	-67.1	-173.3	178.1	0	114	L25 L26 E31 S32 H33 L85	L25-K29 HydrophobicContact CD1-CG 4.17Å; L25-K29 WeakPolarHBondContact O-CB 3.41Å; L25-K29 PolarHBondContact O-N 3.2Å; L26-K29 PolarHBondContact O-N 3.04Å; K29-E31 VanDerWaalsContact C-N 3.35Å; K29-E31 PolarHBondContact O-N 2.86Å; K29-S32 WeakPolarHBondContact O-CB 3.27Å; K29-S32 PolarHBondContact O-N 2.87Å; K29-S32 VanDerWaalsContact O-N 3.16Å; K29-H33 PolarHBondContact O-CD2 3.26Å; K29-H33 PolarHBondContact O-N 2.83Å; K29-L85 HydrophobicContact CB-CB 3.89Å; K29-L85 HydrophobicContact CB-CD2 3.49Å; K29-L85 VanDerWaalsContact CB-CD2 3.49Å; K29-L85 HydrophobicContact CB-CG 4.34Å; K29-L85 HydrophobicContact CG-CB 4.19Å
30	L	87.5	Confident	88.9	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-65.1	-39.8	-173.2	-170	67.2	0	0	0	111.4	L26 S32 H33 I34 P38 L62 I68 V88	L26-L30 HydrophobicContact CB-CB 4.46Å; L26-L30 HydrophobicContact CD2-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CA 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.38Å; L26-L30 PolarHBondContact O-N 2.8Å; L30-S32 PolarHBondContact O-N 2.87Å; L30-H33 PolarHBondContact O-N 3.03Å; L30-I34 HydrophobicContact CD1-CG2 3.89Å; L30-I34 HydrophobicContact CD2-CD1 4.31Å; L30-I34 HydrophobicContact CG-CD1 3.99Å; L30-I34 HydrophobicContact CG-CG1 4.29Å; L30-I34 HydrophobicContact CG-CG2 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.37Å; L30-I34 PolarHBondContact O-N 2.79Å; L30-P38 HydrophobicContact CD2-CG 3.61Å; L30-L62 HydrophobicContact CD2-CD2 4.47Å; L30-I68 HydrophobicContact CD1-CD1 3.34Å; L30-I68 HydrophobicContact CD2-CD1 3.76Å; L30-I68 HydrophobicContact CG-CD1 4.13Å; L30-V88 HydrophobicContact CD1-CG1 3.86Å; L30-V88 HydrophobicContact CD1-CG2 4.04Å
31	E	88.8	Confident	88.9	Confident	105 Å²	105	74.6 Å²	74.6	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-53	-42.3	174.5	-175.6	-177.2	85.4	0	0	111.7	K29 H33 G35 R36 K37	K29-E31 VanDerWaalsContact C-N 3.35Å; K29-E31 PolarHBondContact O-N 2.86Å; E31-H33 PolarHBondContact O-N 3.47Å; E31-G35 CarbonylContact O-C 3.51Å; E31-G35 WeakPolarHBondContact O-CA 3.47Å; E31-G35 PolarHBondContact O-N 2.77Å; E31-R36 WeakPolarHBondContact CA-O 3.42Å; E31-R36 PolarHBondContact O-N 3.44Å; E31-K37 HydrophobicContact CG-CB 4.34Å; E31-K37 WeakPolarHBondContact OE2-CB 3.37Å
32	S	89.3	Confident	89	Confident	105 Å²	105	75.8 Å²	75.8	73%	0.734	39%	0.393	S	S	*	.	H	α-helix	trans	-69.5	-30.6	178.2	-175.3	0	0	0	0	113.4	K29 L30	K29-S32 WeakPolarHBondContact O-CB 3.27Å; K29-S32 PolarHBondContact O-N 2.87Å; K29-S32 VanDerWaalsContact O-N 3.16Å; L30-S32 PolarHBondContact O-N 2.87Å
33	H	87.3	Confident	89.1	Confident	85 Å²	85	75.9 Å²	75.9	39%	0.394	39%	0.393	S	S	.	.	H	α-helix	trans	-85.6	-36.9	-179.5	-85.3	-96.4	0	0	0	113.6	K29 L30 E31 V88	K29-H33 PolarHBondContact O-CD2 3.26Å; K29-H33 PolarHBondContact O-N 2.83Å; L30-H33 PolarHBondContact O-N 3.03Å; E31-H33 PolarHBondContact O-N 3.47Å; H33-V88 HydrophobicContact CB-CB 4Å; H33-V88 HydrophobicContact CB-CG2 3.68Å
34	I	85.7	Confident	89.1	Confident	32 Å²	32	73.3 Å²	73.3	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-100.9	-6.8	-178.1	75.9	174.4	0	0	0	112.9	L30 R36 P38 V88	L30-I34 HydrophobicContact CD1-CG2 3.89Å; L30-I34 HydrophobicContact CD2-CD1 4.31Å; L30-I34 HydrophobicContact CG-CD1 3.99Å; L30-I34 HydrophobicContact CG-CG1 4.29Å; L30-I34 HydrophobicContact CG-CG2 4.29Å; L30-I34 WeakPolarHBondContact O-CG1 3.37Å; L30-I34 PolarHBondContact O-N 2.79Å; I34-R36 HydrophobicContact CD1-CG 3.76Å; I34-R36 VanDerWaalsContact CD1-O 3.29Å; I34-R36 WeakPolarHBondContact CD1-O 3.17Å; I34-R36 HydrophobicContact CG1-CG 3.77Å; I34-R36 WeakPolarHBondContact CG1-O 3.4Å; I34-R36 PolarHBondContact O-N 3.26Å; I34-P38 HydrophobicContact CD1-CG 4.44Å; I34-V88 HydrophobicContact CG2-CG1 3.95Å
35	G	85.8	Confident	89.2	Confident	70 Å²	70	71.5 Å²	71.5	72%	0.722	37%	0.37	S	S	*	.	S	Bend	trans	72.3	7.5	-179.4	0	0	0	0	0	114.5	E31	E31-G35 CarbonylContact O-C 3.51Å; E31-G35 WeakPolarHBondContact O-CA 3.47Å; E31-G35 PolarHBondContact O-N 2.77Å
36	R	85.7	Confident	89.3	Confident	103 Å²	103	70.3 Å²	70.3	39%	0.389	36%	0.364	S	S	.	.	S	Bend	trans	-148	147.7	178.8	63.8	177.3	-176	-173.8	0	110.6	E31 I34 P38 N64 E66	E31-R36 WeakPolarHBondContact CA-O 3.42Å; E31-R36 PolarHBondContact O-N 3.44Å; I34-R36 HydrophobicContact CD1-CG 3.76Å; I34-R36 VanDerWaalsContact CD1-O 3.29Å; I34-R36 WeakPolarHBondContact CD1-O 3.17Å; I34-R36 HydrophobicContact CG1-CG 3.77Å; I34-R36 WeakPolarHBondContact CG1-O 3.4Å; I34-R36 PolarHBondContact O-N 3.26Å; R36-P38 WeakPolarHBondContact O-CD 3.3Å; R36-N64 PolarHBondContact NH1-ND2 3.35Å; R36-E66 IonicContact CZ-OE2 3.83Å; R36-E66 IonicContact NH1-OE2 3.85Å; R36-E66 VanDerWaalsContact NH2-CD 3.26Å; R36-E66 IonicContact NH2-OE1 3.31Å; R36-E66 PolarHBondContact NH2-OE1 3.15Å; R36-E66 VanDerWaalsContact NH2-OE1 3.16Å; R36-E66 IonicContact NH2-OE2 3.35Å; R36-E66 PolarHBondContact NH2-OE2 2.92Å
37	K	86.2	Confident	89.4	Confident	125 Å²	125	70.5 Å²	70.5	54%	0.543	37%	0.365	S	S	.	.			trans	-86.2	115.9	170.7	-165.7	169.4	-178.1	176.7	0	109.9	E31	E31-K37 HydrophobicContact CG-CB 4.34Å; E31-K37 WeakPolarHBondContact OE2-CB 3.37Å
38	P	83.9	Confident	89.4	Confident	20 Å²	20	68.9 Å²	68.9	13%	0.13	36%	0.363	C	S	.	.			trans	-66.4	138.8	172.1	25.8	-27.3	0	0	0	109.5	L30 I34 R36 S40 F41 L62	L30-P38 HydrophobicContact CD2-CG 3.61Å; I34-P38 HydrophobicContact CD1-CG 4.44Å; R36-P38 WeakPolarHBondContact O-CD 3.3Å; P38-S40 VanDerWaalsContact C-N 3.28Å; P38-S40 PolarHBondContact O-N 3.13Å; P38-F41 HydrophobicContact CB-CD1 4.44Å; P38-F41 HydrophobicContact CG-CD1 3.78Å; P38-F41 HydrophobicContact CG-CE1 4.37Å; P38-L62 HydrophobicContact CB-CD2 3.96Å; P38-L62 HydrophobicContact CG-CD2 4.15Å
39	R	86.8	Confident	89.3	Confident	225 Å²	225	65.5 Å²	65.5	85%	0.849	34%	0.337	S	S	*	.	S	Bend	trans	-62.8	-38.8	178.8	-71.4	-178.6	172.8	-172.4	-2.2	112
40	S	89	Confident	89.2	Confident	71 Å²	71	66.5 Å²	66.5	50%	0.497	35%	0.352	S	S	.	.			trans	-154.2	148.4	178.4	-69.8	0	0	0	0	108.1	P38 D63	P38-S40 VanDerWaalsContact C-N 3.28Å; P38-S40 PolarHBondContact O-N 3.13Å; S40-D63 WeakPolarHBondContact O-CB 3.35Å; S40-D63 PolarHBondContact O-N 3.28Å
41	F	92.1	Very high	89	Confident	25 Å²	25	69.4 Å²	69.4	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.7	173	62.6	-94.5	0	0	0	110	K23 L26 E27 P38 V60 K61 L62	K23-F41 HydrophobicContact CB-CE2 4.24Å; K23-F41 HydrophobicContact CB-CZ 4.43Å; K23-F41 HydrophobicContact CG-CE2 3.85Å; K23-F41 HydrophobicContact CG-CZ 3.77Å; L26-F41 HydrophobicContact CB-CE2 3.85Å; L26-F41 HydrophobicContact CB-CZ 3.64Å; L26-F41 HydrophobicContact CD1-CE2 3.87Å; E27-F41 HydrophobicContact CG-CE1 3.53Å; E27-F41 HydrophobicContact CG-CZ 3.66Å; P38-F41 HydrophobicContact CB-CD1 4.44Å; P38-F41 HydrophobicContact CG-CD1 3.78Å; P38-F41 HydrophobicContact CG-CE1 4.37Å; F41-V60 HydrophobicContact CB-CG1 3.62Å; F41-V60 HydrophobicContact CD2-CG1 3.48Å; F41-V60 VanDerWaalsContact CD2-CG1 3.48Å; F41-V60 HydrophobicContact CE2-CG1 4.44Å; F41-V60 HydrophobicContact CG-CG1 3.86Å; F41-K61 CarbonylContact C-O 3.57Å; F41-K61 WeakPolarHBondContact CA-O 3.42Å; F41-K61 WeakPolarHBondContact CB-O 3.45Å; F41-L62 HydrophobicContact CB-CD2 3.8Å
42	E	92.6	Very high	89	Confident	121 Å²	121	68.6 Å²	68.6	57%	0.565	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.9	-177.7	-178	175.4	74.3	0	0	109.7	V44 V60 K61	E42-V44 PolarHBondContact O-N 3.44Å; E42-V60 CarbonylContact O-C 3.5Å; E42-V60 VanDerWaalsContact O-CA 3.3Å; E42-V60 WeakPolarHBondContact O-CA 3.46Å; E42-K61 HydrophobicContact CB-CB 4.48Å; E42-K61 PolarHBondContact N-O 2.8Å; E42-K61 PolarHBondContact O-N 2.76Å
43	I	94	Very high	88.9	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	107.1	174.9	-51.2	177.7	0	0	0	107.5	P14 L22 L26 V58 V60	P14-I43 HydrophobicContact CG-CB 4.27Å; P14-I43 HydrophobicContact CG-CG2 3.64Å; L22-I43 HydrophobicContact CB-CD1 3.54Å; L22-I43 HydrophobicContact CD1-CD1 4.45Å; L26-I43 HydrophobicContact CD1-CD1 4.16Å; L26-I43 HydrophobicContact CD1-CG1 4.42Å; I43-V58 HydrophobicContact CG2-CB 4.26Å; I43-V58 HydrophobicContact CG2-CG1 4.04Å; I43-V60 HydrophobicContact CG1-CG2 4.33Å
44	V	93	Very high	89	Confident	43 Å²	43	61.1 Å²	61.1	26%	0.261	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-46.9	-173.6	-172.3	0	0	0	0	110.4	E42 K59 K61 Y67	E42-V44 PolarHBondContact O-N 3.44Å; V44-K59 PolarHBondContact N-O 2.79Å; V44-K61 HydrophobicContact CG2-CB 3.74Å; V44-Y67 HydrophobicContact CG2-CE1 4.16Å
45	Q	93.4	Very high	89.3	Confident	60 Å²	60	59.9 Å²	59.9	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.7	-178.4	-66.1	-179.1	-80.3	0	0	110.7	P11 R12 V58 K59 L98	P11-Q45 HydrophobicContact CB-CB 4.45Å; R12-Q45 WeakPolarHBondContact O-CA 3.38Å; Q45-V58 WeakPolarHBondContact O-CA 3.12Å; Q45-K59 HydrophobicContact CB-CB 4.16Å; Q45-K59 PolarHBondContact O-N 2.79Å; Q45-L98 HydrophobicContact CB-CD1 3.8Å
46	I	93.6	Very high	89.7	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.1	170.5	-168.8	169	0	0	0	109.4	P11 R12 P14 L22 H56 F57 V58	P11-I46 WeakPolarHBondContact CA-O 3.49Å; R12-I46 HydrophobicContact CG-CG2 4.01Å; R12-I46 PolarHBondContact N-O 3.03Å; R12-I46 PolarHBondContact O-N 2.74Å; P14-I46 HydrophobicContact CB-CB 4.1Å; P14-I46 HydrophobicContact CB-CG2 3.62Å; P14-I46 HydrophobicContact CG-CB 4.22Å; P14-I46 HydrophobicContact CG-CG2 4.06Å; L22-I46 HydrophobicContact CD1-CD1 3.53Å; I46-H56 HydrophobicContact CD1-CB 4.3Å; I46-F57 CarbonylContact C-O 3.54Å; I46-F57 WeakPolarHBondContact CA-O 3.43Å; I46-V58 HydrophobicContact CB-CG1 4.1Å; I46-V58 HydrophobicContact CD1-CG1 3.85Å; I46-V58 HydrophobicContact CG1-CG1 3.7Å
47	T	91.9	Very high	90.1	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.3	164.8	-178.6	0	0	0	0	109.3	I8 G9 H56 F57 L98	I8-T47 HydrophobicContact CG2-CG2 3.24Å; I8-T47 WeakPolarHBondContact CG2-OG1 3.16Å; G9-T47 WeakPolarHBondContact CA-OG1 3.29Å; G9-T47 PolarHBondContact N-OG1 2.92Å; G9-T47 PolarHBondContact O-OG1 2.84Å; T47-H56 CarbonylContact O-C 3.49Å; T47-H56 WeakPolarHBondContact O-CA 3.44Å; T47-F57 HydrophobicContact CG2-CB 3.65Å; T47-F57 HydrophobicContact CG2-CD2 4.2Å; T47-F57 HydrophobicContact CG2-CG 4.31Å; T47-F57 PolarHBondContact N-O 3.42Å; T47-F57 PolarHBondContact O-N 2.72Å; T47-L98 HydrophobicContact CG2-CB 3.75Å; T47-L98 HydrophobicContact CG2-CD1 4.06Å
48	S	90.5	Very high	90.5	Very high	49 Å²	49	46.8 Å²	46.8	34%	0.343	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.8	178.8	55.8	0	0	0	0	111.4	G9 N55	G9-S48 PolarHBondContact N-O 3.27Å; S48-N55 CarbonylContact C-O 3.53Å; S48-N55 WeakPolarHBondContact CA-O 3.49Å
49	Q	88.4	Confident	91	Very high	21 Å²	21	46 Å²	46	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.1	173.5	-178.5	-170.2	60.2	0	0	108.1	G6 I8 V51 T54 N55 F57	G6-Q49 PolarHBondContact O-NE2 2.65Å; G6-Q49 VanDerWaalsContact O-NE2 3.11Å; I8-Q49 HydrophobicContact CG1-CB 4.26Å; Q49-V51 HydrophobicContact CG-CG1 4.15Å; Q49-T54 WeakPolarHBondContact O-CA 3.36Å; Q49-N55 HydrophobicContact CB-CB 4.3Å; Q49-N55 PolarHBondContact N-O 2.84Å; Q49-N55 PolarHBondContact O-N 3.17Å; Q49-N55 PolarHBondContact OE1-ND2 3.11Å; Q49-F57 HydrophobicContact CB-CE2 3.91Å
50	V	87.1	Confident	91.4	Very high	123 Å²	123	35.3 Å²	35.3	75%	0.745	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.1	175.6	-177.7	0	0	0	0	108.9
51	V	85	Confident	91.6	Very high	61 Å²	61	35.5 Å²	35.5	37%	0.37	20%	0.203	S	C	.	.	S	Bend	trans	-134.3	-149.3	176.9	-64.5	0	0	0	0	108.3	Q49 G53 F73	Q49-V51 HydrophobicContact CG-CG1 4.15Å; V51-G53 CarbonylContact C-O 3.59Å; V51-G53 WeakPolarHBondContact CG2-O 3.41Å; V51-G53 PolarHBondContact N-O 2.86Å; V51-G53 PolarHBondContact O-N 2.83Å; V51-G53 VanDerWaalsContact O-O 3.12Å; V51-F73 HydrophobicContact CG2-CE2 3.93Å
52	A	87.2	Confident	91.6	Very high	88 Å²	88	34.7 Å²	34.7	73%	0.727	20%	0.2	S	C	*	.	S	Bend	trans	-72.1	50.7	163.5	0	0	0	0	0	111.7
53	G	88.5	Confident	91.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	20%	0.198	C	C	.	.	S	Bend	trans	141.7	-161.5	-160.5	0	0	0	0	0	109.4	V51 E74	V51-G53 CarbonylContact C-O 3.59Å; V51-G53 WeakPolarHBondContact CG2-O 3.41Å; V51-G53 PolarHBondContact N-O 2.86Å; V51-G53 PolarHBondContact O-N 2.83Å; V51-G53 VanDerWaalsContact O-O 3.12Å; G53-E74 CarbonylContact C-O 3.51Å; G53-E74 WeakPolarHBondContact CA-O 3.47Å
54	T	89.5	Confident	91	Very high	33 Å²	33	38.1 Å²	38.1	20%	0.202	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.6	176.1	-51.1	0	0	0	0	109.5	Q49 H56 E74	Q49-T54 WeakPolarHBondContact O-CA 3.36Å; T54-H56 WeakPolarHBondContact CG2-NE2 2.82Å; T54-E74 PolarHBondContact N-O 2.86Å; T54-E74 PolarHBondContact O-N 3.22Å
55	N	92.1	Very high	90.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.4	166.4	-72.1	-55.5	0	0	0	108.7	S48 Q49 F57 R71 I72 F73	S48-N55 CarbonylContact C-O 3.53Å; S48-N55 WeakPolarHBondContact CA-O 3.49Å; Q49-N55 HydrophobicContact CB-CB 4.3Å; Q49-N55 PolarHBondContact N-O 2.84Å; Q49-N55 PolarHBondContact O-N 3.17Å; Q49-N55 PolarHBondContact OE1-ND2 3.11Å; N55-F57 HydrophobicContact CB-CD2 4.48Å; N55-F57 HydrophobicContact CB-CE2 3.76Å; N55-F57 HydrophobicContact CB-CZ 4.14Å; N55-R71 PolarHBondContact ND2-NH2 2.81Å; N55-R71 PolarHBondContact OD1-NE 2.83Å; N55-R71 PolarHBondContact OD1-NH2 2.85Å; N55-I72 CarbonylContact C-O 3.37Å; N55-I72 WeakPolarHBondContact CA-O 3.18Å; N55-F73 WeakPolarHBondContact OD1-CD2 3.5Å
56	H	92.5	Very high	90.5	Very high	23 Å²	23	38.3 Å²	38.3	11%	0.106	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	169.2	-62.8	-90.2	0	0	0	109	I46 T47 T54 R71 I72 E74	I46-H56 HydrophobicContact CD1-CB 4.3Å; T47-H56 CarbonylContact O-C 3.49Å; T47-H56 WeakPolarHBondContact O-CA 3.44Å; T54-H56 WeakPolarHBondContact CG2-NE2 2.82Å; H56-R71 CarbonylContact O-C 3.58Å; H56-R71 WeakPolarHBondContact O-CA 3.46Å; H56-I72 HydrophobicContact CB-CB 4.26Å; H56-I72 PolarHBondContact N-O 3.37Å; H56-I72 PolarHBondContact O-N 3.46Å; H56-E74 IonicContact NE2-OE1 3.16Å
57	F	94.1	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.8	169.8	-55.1	-98.3	0	0	0	107.6	I8 I46 T47 Q49 N55 A70 R71 L98 Y100 F101	I8-F57 HydrophobicContact CD1-CD1 4.37Å; I8-F57 HydrophobicContact CD1-CD2 3.87Å; I8-F57 HydrophobicContact CD1-CE1 4.14Å; I8-F57 HydrophobicContact CD1-CE2 3.62Å; I8-F57 HydrophobicContact CD1-CG 4.26Å; I8-F57 HydrophobicContact CD1-CZ 3.77Å; I8-F57 HydrophobicContact CG1-CD2 4.17Å; I8-F57 HydrophobicContact CG1-CE2 3.79Å; I8-F57 HydrophobicContact CG1-CZ 4.3Å; I8-F57 HydrophobicContact CG2-CD2 4.4Å; I46-F57 CarbonylContact C-O 3.54Å; I46-F57 WeakPolarHBondContact CA-O 3.43Å; T47-F57 HydrophobicContact CG2-CB 3.65Å; T47-F57 HydrophobicContact CG2-CD2 4.2Å; T47-F57 HydrophobicContact CG2-CG 4.31Å; T47-F57 PolarHBondContact N-O 3.42Å; T47-F57 PolarHBondContact O-N 2.72Å; Q49-F57 HydrophobicContact CB-CE2 3.91Å; N55-F57 HydrophobicContact CB-CD2 4.48Å; N55-F57 HydrophobicContact CB-CE2 3.76Å; N55-F57 HydrophobicContact CB-CZ 4.14Å; F57-A70 CarbonylContact C-O 3.57Å; F57-A70 WeakPolarHBondContact CA-O 3.46Å; F57-R71 HydrophobicContact CD1-CB 4.21Å; F57-R71 HydrophobicContact CD1-CG 4.16Å; F57-R71 HydrophobicContact CE1-CB 4.27Å; F57-R71 HydrophobicContact CE1-CG 3.85Å; F57-R71 HydrophobicContact CZ-CG 4.28Å; F57-L98 HydrophobicContact CB-CD2 4.2Å; F57-Y100 HydrophobicContact CE1-CD2 4.24Å; F57-Y100 AromaticContact CZ-CD2 3.61Å; F57-Y100 HydrophobicContact CZ-CD2 3.61Å; F57-Y100 HydrophobicContact CZ-CE2 4.18Å; F57-Y100 HydrophobicContact CZ-CG 4.32Å; F57-F101 HydrophobicContact CD1-CD1 4.13Å; F57-F101 AromaticContact CD1-CE1 3.7Å; F57-F101 HydrophobicContact CD1-CE1 3.7Å; F57-F101 HydrophobicContact CD1-CZ 4.34Å; F57-F101 HydrophobicContact CE1-CD1 4.32Å; F57-F101 HydrophobicContact CE1-CE1 4.23Å
58	V	94.9	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	-178.7	-82.2	0	0	0	0	110.1	L22 I43 Q45 I46 V60 H69 A70 I72	L22-V58 HydrophobicContact CD1-CG1 3.89Å; I43-V58 HydrophobicContact CG2-CB 4.26Å; I43-V58 HydrophobicContact CG2-CG1 4.04Å; Q45-V58 WeakPolarHBondContact O-CA 3.12Å; I46-V58 HydrophobicContact CB-CG1 4.1Å; I46-V58 HydrophobicContact CD1-CG1 3.85Å; I46-V58 HydrophobicContact CG1-CG1 3.7Å; V58-V60 HydrophobicContact CB-CG2 4.28Å; V58-V60 HydrophobicContact CG2-CG2 4.31Å; V58-H69 CarbonylContact O-C 3.58Å; V58-H69 WeakPolarHBondContact O-CA 3.46Å; V58-A70 HydrophobicContact CG2-CB 3.57Å; V58-A70 WeakPolarHBondContact CG2-O 3.2Å; V58-A70 PolarHBondContact N-O 2.97Å; V58-A70 PolarHBondContact O-N 2.86Å; V58-I72 HydrophobicContact CG2-CD1 3.61Å; V58-I72 HydrophobicContact CG2-CG1 4.39Å
59	K	95	Very high	90.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.8	171.4	-174.9	167.2	-172.9	167.1	0	108.6	V44 Q45 Y67 K93 E94 D96 L98	V44-K59 PolarHBondContact N-O 2.79Å; Q45-K59 HydrophobicContact CB-CB 4.16Å; Q45-K59 PolarHBondContact O-N 2.79Å; K59-Y67 HydrophobicContact CD-CD1 4.46Å; K59-Y67 HydrophobicContact CG-CD1 4.1Å; K59-K93 WeakPolarHBondContact CE-O 3.04Å; K59-K93 PolarHBondContact NZ-O 3.46Å; K59-E94 VanDerWaalsContact NZ-C 3.33Å; K59-E94 PolarHBondContact NZ-O 3.07Å; K59-D96 PolarHBondContact NZ-O 2.85Å; K59-L98 HydrophobicContact CB-CD1 3.84Å; K59-L98 HydrophobicContact CB-CD2 3.84Å; K59-L98 HydrophobicContact CB-CG 3.92Å
60	V	94.5	Very high	91	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.8	-174.6	-176.5	0	0	0	0	108.4	L26 F41 E42 I43 V58 L62 Y67 I68	L26-V60 HydrophobicContact CD1-CG2 3.77Å; F41-V60 HydrophobicContact CB-CG1 3.62Å; F41-V60 HydrophobicContact CD2-CG1 3.48Å; F41-V60 VanDerWaalsContact CD2-CG1 3.48Å; F41-V60 HydrophobicContact CE2-CG1 4.44Å; F41-V60 HydrophobicContact CG-CG1 3.86Å; E42-V60 CarbonylContact O-C 3.5Å; E42-V60 VanDerWaalsContact O-CA 3.3Å; E42-V60 WeakPolarHBondContact O-CA 3.46Å; I43-V60 HydrophobicContact CG1-CG2 4.33Å; V58-V60 HydrophobicContact CB-CG2 4.28Å; V58-V60 HydrophobicContact CG2-CG2 4.31Å; V60-L62 HydrophobicContact CG1-CD2 4.28Å; V60-Y67 CarbonylContact O-C 3.47Å; V60-Y67 WeakPolarHBondContact O-CA 3.28Å; V60-I68 HydrophobicContact CB-CD1 4.14Å; V60-I68 HydrophobicContact CB-CG1 3.64Å; V60-I68 HydrophobicContact CG1-CD1 4.36Å; V60-I68 HydrophobicContact CG1-CG1 4.24Å; V60-I68 HydrophobicContact CG2-CG1 4.44Å; V60-I68 PolarHBondContact N-O 3.32Å; V60-I68 PolarHBondContact O-N 3.13Å
61	K	94	Very high	91.4	Very high	76 Å²	76	30.7 Å²	30.7	33%	0.33	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.1	171.8	-175.7	179.2	-170.3	163.1	0	108.5	F41 E42 V44 Y67	F41-K61 CarbonylContact C-O 3.57Å; F41-K61 WeakPolarHBondContact CA-O 3.42Å; F41-K61 WeakPolarHBondContact CB-O 3.45Å; E42-K61 HydrophobicContact CB-CB 4.48Å; E42-K61 PolarHBondContact N-O 2.8Å; E42-K61 PolarHBondContact O-N 2.76Å; V44-K61 HydrophobicContact CG2-CB 3.74Å; K61-Y67 HydrophobicContact CB-CD1 4Å; K61-Y67 HydrophobicContact CB-CE1 3.65Å; K61-Y67 HydrophobicContact CD-CE1 4.1Å; K61-Y67 VanDerWaalsContact CD-OH 3.3Å; K61-Y67 WeakPolarHBondContact CD-OH 3.46Å; K61-Y67 VanDerWaalsContact CE-OH 3.27Å; K61-Y67 WeakPolarHBondContact CE-OH 3.42Å; K61-Y67 HydrophobicContact CG-CD1 4.39Å; K61-Y67 HydrophobicContact CG-CE1 3.83Å; K61-Y67 HydrophobicContact CG-CE2 4.23Å; K61-Y67 PolarHBondContact NZ-OH 2.96Å
62	L	91.7	Very high	91.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	155.7	174.5	-56.1	-175.2	0	0	0	110.3	L30 P38 F41 V60 N64 G65 E66 I68	L30-L62 HydrophobicContact CD2-CD2 4.47Å; P38-L62 HydrophobicContact CB-CD2 3.96Å; P38-L62 HydrophobicContact CG-CD2 4.15Å; F41-L62 HydrophobicContact CB-CD2 3.8Å; V60-L62 HydrophobicContact CG1-CD2 4.28Å; L62-N64 PolarHBondContact O-N 3.4Å; L62-N64 VanDerWaalsContact O-N 3.13Å; L62-G65 PolarHBondContact O-N 2.9Å; L62-E66 HydrophobicContact CB-CB 4.43Å; L62-E66 WeakPolarHBondContact CB-O 3.17Å; L62-E66 HydrophobicContact CD1-CB 4.29Å; L62-E66 PolarHBondContact N-O 3.32Å; L62-I68 HydrophobicContact CD1-CG2 3.76Å; L62-I68 HydrophobicContact CD2-CD1 4.03Å; L62-I68 HydrophobicContact CD2-CG1 4.32Å; L62-I68 HydrophobicContact CG-CG2 4.18Å
63	D	87.4	Confident	92.1	Very high	98 Å²	98	26 Å²	26	52%	0.524	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.1	175.6	-175.4	-119.1	0	0	0	113.5	S40 G65	S40-D63 WeakPolarHBondContact O-CB 3.35Å; S40-D63 PolarHBondContact O-N 3.28Å; D63-G65 PolarHBondContact O-N 3.3Å; D63-G65 VanDerWaalsContact O-N 3.1Å
64	N	86.5	Confident	92.2	Very high	103 Å²	103	28.5 Å²	28.5	55%	0.551	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	1.3	178.3	-62.9	4.5	0	0	0	114	R36 L62 E66	R36-N64 PolarHBondContact NH1-ND2 3.35Å; L62-N64 PolarHBondContact O-N 3.4Å; L62-N64 VanDerWaalsContact O-N 3.13Å; N64-E66 HydrophobicContact CB-CG 4.37Å; N64-E66 PolarHBondContact ND2-OE2 2.85Å; N64-E66 PolarHBondContact O-N 2.83Å
65	G	85.9	Confident	92.2	Very high	46 Å²	46	27.8 Å²	27.8	47%	0.474	15%	0.147	S	C	.	.	S	Bend	trans	79.1	-0.9	-173.2	0	0	0	0	0	114.5	L62 D63	L62-G65 PolarHBondContact O-N 2.9Å; D63-G65 PolarHBondContact O-N 3.3Å; D63-G65 VanDerWaalsContact O-N 3.1Å
66	E	89.8	Confident	91.9	Very high	61 Å²	61	31.5 Å²	31.5	29%	0.285	17%	0.167	S	C	.	.			trans	-75.1	146.2	172.8	-65.9	173.7	70.4	0	0	110.5	R36 L62 N64	R36-E66 IonicContact CZ-OE2 3.83Å; R36-E66 IonicContact NH1-OE2 3.85Å; R36-E66 VanDerWaalsContact NH2-CD 3.26Å; R36-E66 IonicContact NH2-OE1 3.31Å; R36-E66 PolarHBondContact NH2-OE1 3.15Å; R36-E66 VanDerWaalsContact NH2-OE1 3.16Å; R36-E66 IonicContact NH2-OE2 3.35Å; R36-E66 PolarHBondContact NH2-OE2 2.92Å; L62-E66 HydrophobicContact CB-CB 4.43Å; L62-E66 WeakPolarHBondContact CB-O 3.17Å; L62-E66 HydrophobicContact CD1-CB 4.29Å; L62-E66 PolarHBondContact N-O 3.32Å; N64-E66 HydrophobicContact CB-CG 4.37Å; N64-E66 PolarHBondContact ND2-OE2 2.85Å; N64-E66 PolarHBondContact O-N 2.83Å
67	Y	93.2	Very high	91.2	Very high	13 Å²	13	35.3 Å²	35.3	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.4	169.6	-67.7	-105.2	0	0	0	109.9	V44 K59 V60 K61 K92 E94	V44-Y67 HydrophobicContact CG2-CE1 4.16Å; K59-Y67 HydrophobicContact CD-CD1 4.46Å; K59-Y67 HydrophobicContact CG-CD1 4.1Å; V60-Y67 CarbonylContact O-C 3.47Å; V60-Y67 WeakPolarHBondContact O-CA 3.28Å; K61-Y67 HydrophobicContact CB-CD1 4Å; K61-Y67 HydrophobicContact CB-CE1 3.65Å; K61-Y67 HydrophobicContact CD-CE1 4.1Å; K61-Y67 VanDerWaalsContact CD-OH 3.3Å; K61-Y67 WeakPolarHBondContact CD-OH 3.46Å; K61-Y67 VanDerWaalsContact CE-OH 3.27Å; K61-Y67 WeakPolarHBondContact CE-OH 3.42Å; K61-Y67 HydrophobicContact CG-CD1 4.39Å; K61-Y67 HydrophobicContact CG-CE1 3.83Å; K61-Y67 HydrophobicContact CG-CE2 4.23Å; K61-Y67 PolarHBondContact NZ-OH 2.96Å; Y67-K92 WeakPolarHBondContact CB-O 3.33Å; Y67-K92 PolarHBondContact N-O 3.43Å; Y67-K92 WeakPolarHBondContact O-CA 3.47Å; Y67-K92 WeakPolarHBondContact O-CB 3.35Å; Y67-K92 PolarHBondContact O-N 3.42Å; Y67-E94 HydrophobicContact CD2-CB 4.25Å; Y67-E94 HydrophobicContact CE1-CB 4.16Å; Y67-E94 HydrophobicContact CE1-CG 4.19Å; Y67-E94 HydrophobicContact CE2-CB 3.61Å; Y67-E94 HydrophobicContact CE2-CG 4.33Å; Y67-E94 PolarHBondContact OH-OE2 2.93Å
68	I	93.6	Very high	90.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.6	171.8	67.3	171	0	0	0	109.1	L30 V60 L62 V88 V89 K90	L30-I68 HydrophobicContact CD1-CD1 3.34Å; L30-I68 HydrophobicContact CD2-CD1 3.76Å; L30-I68 HydrophobicContact CG-CD1 4.13Å; V60-I68 HydrophobicContact CB-CD1 4.14Å; V60-I68 HydrophobicContact CB-CG1 3.64Å; V60-I68 HydrophobicContact CG1-CD1 4.36Å; V60-I68 HydrophobicContact CG1-CG1 4.24Å; V60-I68 HydrophobicContact CG2-CG1 4.44Å; V60-I68 PolarHBondContact N-O 3.32Å; V60-I68 PolarHBondContact O-N 3.13Å; L62-I68 HydrophobicContact CD1-CG2 3.76Å; L62-I68 HydrophobicContact CD2-CD1 4.03Å; L62-I68 HydrophobicContact CD2-CG1 4.32Å; L62-I68 HydrophobicContact CG-CG2 4.18Å; I68-V88 HydrophobicContact CB-CG1 4.32Å; I68-V88 HydrophobicContact CD1-CG1 4.05Å; I68-V89 CarbonylContact C-O 3.55Å; I68-V89 VanDerWaalsContact CA-O 3.26Å; I68-V89 WeakPolarHBondContact CA-O 3.46Å; I68-V89 WeakPolarHBondContact CB-O 3.47Å; I68-K90 HydrophobicContact CG2-CB 4.39Å
69	H	94.7	Very high	89.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.2	169.5	-64	175.6	0	0	0	108.1	V58 V88 V89 K92 D96 A97 L98 F101	V58-H69 CarbonylContact O-C 3.58Å; V58-H69 WeakPolarHBondContact O-CA 3.46Å; H69-V88 CarbonylContact O-C 3.6Å; H69-V88 WeakPolarHBondContact O-CA 3.27Å; H69-V89 PolarHBondContact N-O 3Å; H69-V89 PolarHBondContact O-N 2.88Å; H69-K92 HydrophobicContact CB-CG 4.39Å; H69-D96 IonicContact CE1-OD1 2.87Å; H69-D96 PolarHBondContact CE1-OD1 3.46Å; H69-D96 VanDerWaalsContact CE1-OD1 3.31Å; H69-D96 IonicContact ND1-OD1 2.85Å; H69-A97 PolarHBondContact CE1-O 3.3Å; H69-L98 HydrophobicContact CB-CD2 4.19Å; H69-F101 HydrophobicContact CB-CD1 4.46Å; H69-F101 HydrophobicContact CB-CE1 3.68Å; H69-F101 HydrophobicContact CB-CZ 4.11Å; H69-F101 WeakPolarHBondContact O-CZ 3.39Å
70	A	94.6	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.2	176.3	0	0	0	0	0	109.6	L26 F57 V58 L85 S87 V88	L26-A70 HydrophobicContact CD2-CB 3.79Å; F57-A70 CarbonylContact C-O 3.57Å; F57-A70 WeakPolarHBondContact CA-O 3.46Å; V58-A70 HydrophobicContact CG2-CB 3.57Å; V58-A70 WeakPolarHBondContact CG2-O 3.2Å; V58-A70 PolarHBondContact N-O 2.97Å; V58-A70 PolarHBondContact O-N 2.86Å; A70-L85 HydrophobicContact CB-CD1 3.75Å; A70-S87 WeakPolarHBondContact CA-O 3.47Å; A70-V88 HydrophobicContact CB-CG2 4.21Å
71	R	94.5	Very high	87.4	Confident	21 Å²	21	57.9 Å²	57.9	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.6	177.5	179.4	-179.5	176.4	177.1	-2.3	108.1	N55 H56 F57 H86 S87 Y100 F101	N55-R71 PolarHBondContact ND2-NH2 2.81Å; N55-R71 PolarHBondContact OD1-NE 2.83Å; N55-R71 PolarHBondContact OD1-NH2 2.85Å; H56-R71 CarbonylContact O-C 3.58Å; H56-R71 WeakPolarHBondContact O-CA 3.46Å; F57-R71 HydrophobicContact CD1-CB 4.21Å; F57-R71 HydrophobicContact CD1-CG 4.16Å; F57-R71 HydrophobicContact CE1-CB 4.27Å; F57-R71 HydrophobicContact CE1-CG 3.85Å; F57-R71 HydrophobicContact CZ-CG 4.28Å; R71-H86 HydrophobicContact CG-CB 4.38Å; R71-H86 WeakPolarHBondContact O-CA 3.35Å; R71-H86 WeakPolarHBondContact O-CB 3.2Å; R71-H86 PolarHBondContact O-N 3.34Å; R71-S87 PolarHBondContact N-O 3.01Å; R71-S87 PolarHBondContact O-N 3.39Å; R71-Y100 PolarHBondContact NH1-OH 3.17Å; R71-Y100 PolarHBondContact NH2-OH 2.93Å; R71-F101 HydrophobicContact CB-CE1 4.36Å; R71-F101 HydrophobicContact CB-CE2 3.69Å; R71-F101 HydrophobicContact CB-CZ 3.53Å; R71-F101 PolarHBondContact NH1-O 2.8Å
72	I	94	Very high	86.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.9	-175.2	-62.9	161.1	0	0	0	107.4	L22 L25 L26 N55 H56 V58 L83 Q84 L85	L22-I72 HydrophobicContact CD2-CD1 3.43Å; L22-I72 VanDerWaalsContact CD2-CD1 3.43Å; L22-I72 HydrophobicContact CD2-CG2 4.43Å; L25-I72 HydrophobicContact CD2-CB 4.46Å; L25-I72 HydrophobicContact CD2-CD1 4.06Å; L25-I72 HydrophobicContact CD2-CG1 4.03Å; L25-I72 HydrophobicContact CD2-CG2 3.6Å; L26-I72 HydrophobicContact CD2-CD1 4.49Å; N55-I72 CarbonylContact C-O 3.37Å; N55-I72 WeakPolarHBondContact CA-O 3.18Å; H56-I72 HydrophobicContact CB-CB 4.26Å; H56-I72 PolarHBondContact N-O 3.37Å; H56-I72 PolarHBondContact O-N 3.46Å; V58-I72 HydrophobicContact CG2-CD1 3.61Å; V58-I72 HydrophobicContact CG2-CG1 4.39Å; I72-L83 HydrophobicContact CG2-CB 3.81Å; I72-L83 HydrophobicContact CG2-CD1 4.31Å; I72-L83 HydrophobicContact CG2-CD2 3.99Å; I72-L83 HydrophobicContact CG2-CG 4.27Å; I72-Q84 CarbonylContact C-O 3.44Å; I72-Q84 WeakPolarHBondContact CA-O 3.27Å; I72-L85 HydrophobicContact CD1-CD1 4.44Å; I72-L85 HydrophobicContact CG1-CD1 3.64Å
73	F	92.8	Very high	86.9	Confident	50 Å²	50	61.6 Å²	61.6	22%	0.219	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.3	177	-178.5	-111.2	0	0	0	109.7	V51 N55 P75 Q84 H86	V51-F73 HydrophobicContact CG2-CE2 3.93Å; N55-F73 WeakPolarHBondContact OD1-CD2 3.5Å; F73-P75 HydrophobicContact CE1-CB 4.07Å; F73-Q84 PolarHBondContact N-O 2.78Å; F73-Q84 PolarHBondContact O-N 3.42Å; F73-H86 HydrophobicContact CB-CB 4.46Å
74	E	90.8	Very high	87	Confident	54 Å²	54	61.7 Å²	61.7	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.1	168.2	-168.6	169	75.3	0	0	108.5	K21 G53 T54 H56 L83	K21-E74 IonicContact NZ-OE2 3.17Å; K21-E74 PolarHBondContact NZ-OE2 2.83Å; K21-E74 VanDerWaalsContact NZ-OE2 3.17Å; G53-E74 CarbonylContact C-O 3.51Å; G53-E74 WeakPolarHBondContact CA-O 3.47Å; T54-E74 PolarHBondContact N-O 2.86Å; T54-E74 PolarHBondContact O-N 3.22Å; H56-E74 IonicContact NE2-OE1 3.16Å; E74-L83 HydrophobicContact CB-CD2 3.47Å; E74-L83 VanDerWaalsContact CB-CD2 3.47Å; E74-L83 HydrophobicContact CG-CD2 3.6Å; E74-L83 WeakPolarHBondContact OE2-CD2 3.33Å
75	P	89.5	Confident	87.3	Confident	18 Å²	18	57.7 Å²	57.7	12%	0.117	31%	0.311	C	S	.	.			trans	-65.9	159.6	173.8	26.4	-30.3	0	0	0	110.9	F73 H79 E82	F73-P75 HydrophobicContact CE1-CB 4.07Å; P75-H79 HydrophobicContact CB-CB 4.27Å; P75-E82 WeakPolarHBondContact CD-O 3.43Å
76	L	85.9	Confident	87.6	Confident	83 Å²	83	60.5 Å²	60.5	44%	0.435	31%	0.312	S	S	.	.			trans	-58	147.2	174.5	-68.8	172.4	0	0	0	110.6	C78 H79	L76-C78 PolarHBondContact O-N 2.79Å; L76-H79 PolarHBondContact O-N 2.78Å
77	P	78.8	Confident	87.6	Confident	103 Å²	103	59.5 Å²	59.5	67%	0.669	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-57.7	-22.5	-173.7	21.1	-33.6	0	0	0	114.7
78	C	80.1	Confident	87.7	Confident	122 Å²	122	60.3 Å²	60.3	82%	0.824	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-74.8	-25.2	175	-171	0	0	0	0	113.4	L76	L76-C78 PolarHBondContact O-N 2.79Å
79	H	73.9	Confident	87.6	Confident	155 Å²	155	62.3 Å²	62.3	72%	0.718	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-95.9	4.6	179.7	-73.1	105	0	0	0	113.6	P75 L76	P75-H79 HydrophobicContact CB-CB 4.27Å; L76-H79 PolarHBondContact O-N 2.78Å
80	G	70.5	Confident	87.4	Confident	33 Å²	33	69.3 Å²	69.3	34%	0.34	36%	0.361	S	S	.	.			trans	114.2	162.7	-174.4	0	0	0	0	0	112.2
81	K	73.7	Confident	87.1	Confident	168 Å²	168	75.8 Å²	75.8	73%	0.73	40%	0.395	S	S	*	.			trans	-109.5	13.7	179.4	-68	-176.7	178.4	-179	0	112.7	L83	K81-L83 PolarHBondContact O-N 2.89Å
82	E	84.2	Confident	87	Confident	147 Å²	147	77.3 Å²	77.3	69%	0.687	40%	0.403	S	S	*	.			trans	-80.6	119.1	-174.7	-170	166.8	99.9	0	0	110.5	P75	P75-E82 WeakPolarHBondContact CD-O 3.43Å
83	L	90.1	Very high	86.9	Confident	14 Å²	14	84.5 Å²	84.5	7%	0.073	43%	0.434	C	S	.	.			trans	-72.7	132	172.9	-67.7	-179.5	0	0	0	109.7	K21 L22 L25 I72 E74 K81	K21-L83 HydrophobicContact CD-CD1 3.59Å; K21-L83 HydrophobicContact CD-CG 4.43Å; K21-L83 HydrophobicContact CG-CD1 3.84Å; L22-L83 HydrophobicContact CD2-CD1 3.92Å; L25-L83 VanDerWaalsContact CD1-O 3.27Å; L25-L83 WeakPolarHBondContact CD1-O 3.36Å; L25-L83 HydrophobicContact CD2-CB 3.69Å; L25-L83 HydrophobicContact CD2-CD1 4.45Å; I72-L83 HydrophobicContact CG2-CB 3.81Å; I72-L83 HydrophobicContact CG2-CD1 4.31Å; I72-L83 HydrophobicContact CG2-CD2 3.99Å; I72-L83 HydrophobicContact CG2-CG 4.27Å; E74-L83 HydrophobicContact CB-CD2 3.47Å; E74-L83 VanDerWaalsContact CB-CD2 3.47Å; E74-L83 HydrophobicContact CG-CD2 3.6Å; E74-L83 WeakPolarHBondContact OE2-CD2 3.33Å; K81-L83 PolarHBondContact O-N 2.89Å
84	Q	90.6	Very high	86.7	Confident	101 Å²	101	88 Å²	88	47%	0.472	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.4	179	-66.7	179.7	78.1	0	0	109.8	I72 F73 H86	I72-Q84 CarbonylContact C-O 3.44Å; I72-Q84 WeakPolarHBondContact CA-O 3.27Å; F73-Q84 PolarHBondContact N-O 2.78Å; F73-Q84 PolarHBondContact O-N 3.42Å; Q84-H86 PolarHBondContact O-N 2.83Å; Q84-H86 VanDerWaalsContact O-N 3.13Å
85	L	92.7	Very high	86.6	Confident	18 Å²	18	91 Å²	91	9%	0.094	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	111	171.4	-174.4	63.9	0	0	0	108.5	L26 K29 A70 I72 V88	L26-L85 HydrophobicContact CD2-CD1 4Å; L26-L85 HydrophobicContact CD2-CD2 4.27Å; K29-L85 HydrophobicContact CB-CB 3.89Å; K29-L85 HydrophobicContact CB-CD2 3.49Å; K29-L85 VanDerWaalsContact CB-CD2 3.49Å; K29-L85 HydrophobicContact CB-CG 4.34Å; K29-L85 HydrophobicContact CG-CB 4.19Å; A70-L85 HydrophobicContact CB-CD1 3.75Å; I72-L85 HydrophobicContact CD1-CD1 4.44Å; I72-L85 HydrophobicContact CG1-CD1 3.64Å; L85-V88 HydrophobicContact CD1-CG2 3.97Å; L85-V88 HydrophobicContact CD2-CG2 3.64Å; L85-V88 HydrophobicContact CG-CG2 3.99Å
86	H	91.1	Very high	86.6	Confident	105 Å²	105	92.5 Å²	92.5	49%	0.486	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-42.5	-174.8	-171.9	-95.6	0	0	0	111.8	R71 F73 Q84	R71-H86 HydrophobicContact CG-CB 4.38Å; R71-H86 WeakPolarHBondContact O-CA 3.35Å; R71-H86 WeakPolarHBondContact O-CB 3.2Å; R71-H86 PolarHBondContact O-N 3.34Å; F73-H86 HydrophobicContact CB-CB 4.46Å; Q84-H86 PolarHBondContact O-N 2.83Å; Q84-H86 VanDerWaalsContact O-N 3.13Å
87	S	91.4	Very high	86.6	Confident	41 Å²	41	91.2 Å²	91.2	29%	0.287	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.4	-179.7	-78.6	0	0	0	0	111.9	A70 R71	A70-S87 WeakPolarHBondContact CA-O 3.47Å; R71-S87 PolarHBondContact N-O 3.01Å; R71-S87 PolarHBondContact O-N 3.39Å
88	V	93.5	Very high	87	Confident	29 Å²	29	86.8 Å²	86.8	18%	0.176	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126	177	-176.8	0	0	0	0	108.5	L30 H33 I34 I68 H69 A70 L85	L30-V88 HydrophobicContact CD1-CG1 3.86Å; L30-V88 HydrophobicContact CD1-CG2 4.04Å; H33-V88 HydrophobicContact CB-CB 4Å; H33-V88 HydrophobicContact CB-CG2 3.68Å; I34-V88 HydrophobicContact CG2-CG1 3.95Å; I68-V88 HydrophobicContact CB-CG1 4.32Å; I68-V88 HydrophobicContact CD1-CG1 4.05Å; H69-V88 CarbonylContact O-C 3.6Å; H69-V88 WeakPolarHBondContact O-CA 3.27Å; A70-V88 HydrophobicContact CB-CG2 4.21Å; L85-V88 HydrophobicContact CD1-CG2 3.97Å; L85-V88 HydrophobicContact CD2-CG2 3.64Å; L85-V88 HydrophobicContact CG-CG2 3.99Å
89	V	93.2	Very high	87.2	Confident	45 Å²	45	87.1 Å²	87.1	27%	0.273	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118	173.4	-175.6	0	0	0	0	108.2	I68 H69 K92 F101	I68-V89 CarbonylContact C-O 3.55Å; I68-V89 VanDerWaalsContact CA-O 3.26Å; I68-V89 WeakPolarHBondContact CA-O 3.46Å; I68-V89 WeakPolarHBondContact CB-O 3.47Å; H69-V89 PolarHBondContact N-O 3Å; H69-V89 PolarHBondContact O-N 2.88Å; V89-K92 HydrophobicContact CG1-CD 4.21Å; V89-K92 VanDerWaalsContact CG1-CE 3.49Å; V89-K92 HydrophobicContact CG1-CG 4.26Å; V89-F101 HydrophobicContact CG2-CB 4.15Å; V89-F101 HydrophobicContact CG2-CD1 4.22Å; V89-F101 HydrophobicContact CG2-CD2 3.27Å; V89-F101 HydrophobicContact CG2-CE1 4.46Å; V89-F101 HydrophobicContact CG2-CE2 3.56Å; V89-F101 HydrophobicContact CG2-CG 3.62Å; V89-F101 HydrophobicContact CG2-CZ 4.14Å
90	K	90.7	Very high	87.7	Confident	148 Å²	148	86.3 Å²	86.3	64%	0.643	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	175.3	174.8	62.4	-177.5	178.5	-178.9	0	111.3	I68 K92	I68-K90 HydrophobicContact CG2-CB 4.39Å; K90-K92 VanDerWaalsContact C-N 3.28Å; K90-K92 PolarHBondContact O-N 3.45Å
91	D	88.2	Confident	88.3	Confident	136 Å²	136	88.4 Å²	88.4	73%	0.727	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.7	32.2	176.5	-151	-112.8	0	0	0	113.6
92	K	92.1	Very high	89	Confident	54 Å²	54	84.5 Å²	84.5	24%	0.235	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	163.4	173.6	-63.9	-58.8	-158.8	157.7	0	110.7	Y67 H69 V89 K90 D96	Y67-K92 WeakPolarHBondContact CB-O 3.33Å; Y67-K92 PolarHBondContact N-O 3.43Å; Y67-K92 WeakPolarHBondContact O-CA 3.47Å; Y67-K92 WeakPolarHBondContact O-CB 3.35Å; Y67-K92 PolarHBondContact O-N 3.42Å; H69-K92 HydrophobicContact CB-CG 4.39Å; V89-K92 HydrophobicContact CG1-CD 4.21Å; V89-K92 VanDerWaalsContact CG1-CE 3.49Å; V89-K92 HydrophobicContact CG1-CG 4.26Å; K90-K92 VanDerWaalsContact C-N 3.28Å; K90-K92 PolarHBondContact O-N 3.45Å; K92-D96 HydrophobicContact CD-CB 4.45Å; K92-D96 WeakPolarHBondContact CD-OD1 3.04Å; K92-D96 WeakPolarHBondContact CE-OD1 3.04Å; K92-D96 IonicContact NZ-OD1 2.93Å; K92-D96 PolarHBondContact NZ-OD1 3.12Å; K92-D96 IonicContact NZ-OD2 3.88Å
93	K	91	Very high	89.3	Confident	151 Å²	151	81.2 Å²	81.2	66%	0.657	41%	0.41	S	S	*	.			trans	-116.5	162	178.9	-63.7	-179.1	-177	177.2	0	111	K59 S95 D96	K59-K93 WeakPolarHBondContact CE-O 3.04Å; K59-K93 PolarHBondContact NZ-O 3.46Å; K93-S95 PolarHBondContact O-N 2.87Å; K93-D96 VanDerWaalsContact O-CB 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.24Å; K93-D96 PolarHBondContact O-N 3.06Å
94	E	88.3	Confident	89.2	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.57	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.3	172.9	-169.5	177.5	96	0	0	112.7	K59 Y67 D96	K59-E94 VanDerWaalsContact NZ-C 3.33Å; K59-E94 PolarHBondContact NZ-O 3.07Å; Y67-E94 HydrophobicContact CD2-CB 4.25Å; Y67-E94 HydrophobicContact CE1-CB 4.16Å; Y67-E94 HydrophobicContact CE1-CG 4.19Å; Y67-E94 HydrophobicContact CE2-CB 3.61Å; Y67-E94 HydrophobicContact CE2-CG 4.33Å; Y67-E94 PolarHBondContact OH-OE2 2.93Å; E94-D96 VanDerWaalsContact C-N 3.33Å
95	S	89	Confident	89.1	Confident	118 Å²	118	83.9 Å²	83.9	83%	0.825	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.1	177	-50.7	0	0	0	0	113.9	K93 A97	K93-S95 PolarHBondContact O-N 2.87Å; S95-A97 PolarHBondContact O-N 3.41Å
96	D	89.9	Confident	88.9	Confident	49 Å²	49	88.1 Å²	88.1	26%	0.262	45%	0.446	S	S	.	.			trans	-72.1	125.9	-178.6	-150.2	-98.4	0	0	0	109.7	K59 H69 K92 K93 E94	K59-D96 PolarHBondContact NZ-O 2.85Å; H69-D96 IonicContact CE1-OD1 2.87Å; H69-D96 PolarHBondContact CE1-OD1 3.46Å; H69-D96 VanDerWaalsContact CE1-OD1 3.31Å; H69-D96 IonicContact ND1-OD1 2.85Å; K92-D96 HydrophobicContact CD-CB 4.45Å; K92-D96 WeakPolarHBondContact CD-OD1 3.04Å; K92-D96 WeakPolarHBondContact CE-OD1 3.04Å; K92-D96 IonicContact NZ-OD1 2.93Å; K92-D96 PolarHBondContact NZ-OD1 3.12Å; K92-D96 IonicContact NZ-OD2 3.88Å; K93-D96 VanDerWaalsContact O-CB 3.29Å; K93-D96 WeakPolarHBondContact O-CB 3.24Å; K93-D96 PolarHBondContact O-N 3.06Å; E94-D96 VanDerWaalsContact C-N 3.33Å
97	A	86.3	Confident	88.8	Confident	56 Å²	56	86.9 Å²	86.9	46%	0.463	44%	0.444	S	S	.	.			trans	-75	152.1	-178.6	0	0	0	0	0	111.3	H69 S95 E99	H69-A97 PolarHBondContact CE1-O 3.3Å; S95-A97 PolarHBondContact O-N 3.41Å; A97-E99 HydrophobicContact CB-CG 4.09Å; A97-E99 PolarHBondContact O-N 2.99Å
98	L	86.1	Confident	88.6	Confident	10 Å²	10	90.2 Å²	90.2	5%	0.052	46%	0.455	C	S	.	.			trans	-74.8	95.4	170.8	-78.9	173.3	0	0	0	109.5	P11 Q45 T47 F57 K59 H69	P11-L98 HydrophobicContact CB-CD1 4.39Å; Q45-L98 HydrophobicContact CB-CD1 3.8Å; T47-L98 HydrophobicContact CG2-CB 3.75Å; T47-L98 HydrophobicContact CG2-CD1 4.06Å; F57-L98 HydrophobicContact CB-CD2 4.2Å; K59-L98 HydrophobicContact CB-CD1 3.84Å; K59-L98 HydrophobicContact CB-CD2 3.84Å; K59-L98 HydrophobicContact CB-CG 3.92Å; H69-L98 HydrophobicContact CB-CD2 4.19Å
99	E	84.6	Confident	88.2	Confident	130 Å²	130	94.9 Å²	94.9	61%	0.607	48%	0.476	S	S	*	.			trans	-113.1	172.2	177.2	-60	-171.9	101.4	0	0	111.3	A97 F101	A97-E99 HydrophobicContact CB-CG 4.09Å; A97-E99 PolarHBondContact O-N 2.99Å; E99-F101 WeakPolarHBondContact O-CD1 3.5Å
100	Y	83.9	Confident	87.8	Confident	137 Å²	137	99.1 Å²	99.1	54%	0.537	49%	0.493	S	S	.	.			trans	-73.2	138.3	-180	-172.1	-82.3	0	0	0	109.5	I8 F57 R71	I8-Y100 VanDerWaalsContact CD1-CA 3.45Å; I8-Y100 HydrophobicContact CD1-CD2 4.49Å; F57-Y100 HydrophobicContact CE1-CD2 4.24Å; F57-Y100 AromaticContact CZ-CD2 3.61Å; F57-Y100 HydrophobicContact CZ-CD2 3.61Å; F57-Y100 HydrophobicContact CZ-CE2 4.18Å; F57-Y100 HydrophobicContact CZ-CG 4.32Å; R71-Y100 PolarHBondContact NH1-OH 3.17Å; R71-Y100 PolarHBondContact NH2-OH 2.93Å
101	F	83.2	Confident	87.5	Confident	78 Å²	78	94.6 Å²	94.6	34%	0.342	48%	0.48	S	S	.	.			trans	-146.5	0	174.5	62	-96.1	0	0	0	111.1	F57 H69 R71 V89 E99	F57-F101 HydrophobicContact CD1-CD1 4.13Å; F57-F101 AromaticContact CD1-CE1 3.7Å; F57-F101 HydrophobicContact CD1-CE1 3.7Å; F57-F101 HydrophobicContact CD1-CZ 4.34Å; F57-F101 HydrophobicContact CE1-CD1 4.32Å; F57-F101 HydrophobicContact CE1-CE1 4.23Å; H69-F101 HydrophobicContact CB-CD1 4.46Å; H69-F101 HydrophobicContact CB-CE1 3.68Å; H69-F101 HydrophobicContact CB-CZ 4.11Å; H69-F101 WeakPolarHBondContact O-CZ 3.39Å; R71-F101 HydrophobicContact CB-CE1 4.36Å; R71-F101 HydrophobicContact CB-CE2 3.69Å; R71-F101 HydrophobicContact CB-CZ 3.53Å; R71-F101 PolarHBondContact NH1-O 2.8Å; V89-F101 HydrophobicContact CG2-CB 4.15Å; V89-F101 HydrophobicContact CG2-CD1 4.22Å; V89-F101 HydrophobicContact CG2-CD2 3.27Å; V89-F101 HydrophobicContact CG2-CE1 4.46Å; V89-F101 HydrophobicContact CG2-CE2 3.56Å; V89-F101 HydrophobicContact CG2-CG 3.62Å; V89-F101 HydrophobicContact CG2-CZ 4.14Å; E99-F101 WeakPolarHBondContact O-CD1 3.5Å

Retrieved 101 of 101 residues in 216.2 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).