A0A077ZKH8_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077ZKH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 aa.

						>A0A077ZKH8_TRITR|A0A077ZKH8
MSDGALADVKPNKPGICPWPSSVTTPSRLCSDDDDCQGSRKCCPTKAGNACVDPASRQLAGRRPSCPPAAYVMGIPGSCRKDKDCDDGKKCCDGNEGKSCSVTVLPR
					

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(Predicted Aligned Error values between residue pairs)

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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	52.6	Low	55	Low	232 Å²	232	127.2 Å²	127.2	100%	1.143	78%	0.775	S	S	*	*				0	114.5	0	-55.6	86.6	146.2	0	0	106
2	S	53.7	Low	55.9	Low	111 Å²	111	127 Å²	127	78%	0.776	77%	0.767	S	S	*	*			trans	-140.9	101.2	-179.6	-60.9	0	0	0	0	110.5
3	D	57.4	Low	57.4	Low	154 Å²	154	119.8 Å²	119.8	82%	0.824	72%	0.719	S	S	*	*			trans	69.1	108.9	137.3	-59.7	-76.5	0	0	0	118.4
4	G	53.4	Low	58.2	Low	73 Å²	73	119.3 Å²	119.3	75%	0.753	72%	0.72	S	S	*	*			trans	-48.2	135.1	178.4	0	0	0	0	0	112.3	L6	G4-L6 PolarHBondContact O-N 2.57Å
5	A	58.2	Low	58.8	Low	96 Å²	96	113.2 Å²	113.2	79%	0.793	69%	0.691	S	S	*	*			trans	-40.5	112.8	162.4	0	0	0	0	0	108.6	A7	A5-A7 PolarHBondContact O-N 3.15Å
6	L	54.7	Low	59.6	Low	169 Å²	169	110.9 Å²	110.9	89%	0.885	67%	0.672	S	S	*	*			trans	-64	79.3	163.6	-157.9	82.6	0	0	0	104.9	G4 D8	G4-L6 PolarHBondContact O-N 2.57Å; L6-D8 PolarHBondContact O-N 3.15Å
7	A	56	Low	60.2	Low	79 Å²	79	106.5 Å²	106.5	65%	0.653	65%	0.647	S	S	*	*			trans	-55.6	112.3	178.4	0	0	0	0	0	105.4	A5 V9	A5-A7 PolarHBondContact O-N 3.15Å; A7-V9 PolarHBondContact O-N 2.73Å
8	D	55.6	Low	60.4	Low	137 Å²	137	102.8 Å²	102.8	73%	0.733	63%	0.625	S	S	*	*			trans	-41.5	98.9	-175.5	-57.5	-97.4	0	0	0	109.3	L6 K10	L6-D8 PolarHBondContact O-N 3.15Å; D8-K10 HydrophobicContact CB-CG 4.06Å; D8-K10 PolarHBondContact O-N 3.07Å
9	V	51.2	Low	60.1	Low	137 Å²	137	109.6 Å²	109.6	83%	0.83	64%	0.639	S	S	*	*			trans	-69.4	80.3	164.4	147.5	0	0	0	0	104.2	A7 P11	A7-V9 PolarHBondContact O-N 2.73Å; V9-P11 WeakPolarHBondContact O-CD 3.44Å; V9-P11 VanDerWaalsContact O-N 3.15Å
10	K	54	Low	59.8	Low	107 Å²	107	108.3 Å²	108.3	47%	0.465	63%	0.634	S	S	.	*			trans	-59.2	115.5	176	-74.5	-179.4	-83.5	-177.1	0	106.2	D8 N12 D32	D8-K10 HydrophobicContact CB-CG 4.06Å; D8-K10 PolarHBondContact O-N 3.07Å; K10-N12 PolarHBondContact O-N 3.49Å; K10-D32 IonicContact NZ-OD1 2.79Å; K10-D32 IonicContact NZ-OD2 3.29Å; K10-D32 PolarHBondContact NZ-OD2 2.93Å
11	P	57.7	Low	59.5	Low	104 Å²	104	104 Å²	104	68%	0.675	61%	0.609	S	S	*	*			trans	-64.7	110.2	-174.2	23.6	-31.4	0	0	0	109.3	V9 K13	V9-P11 WeakPolarHBondContact O-CD 3.44Å; V9-P11 VanDerWaalsContact O-N 3.15Å; P11-K13 PolarHBondContact O-N 3.47Å
12	N	66.3	Low	59.4	Low	125 Å²	125	97.2 Å²	97.2	67%	0.668	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-60.4	131.3	173	-72.3	-64.9	0	0	0	109.4	K10 D33	K10-N12 PolarHBondContact O-N 3.49Å; N12-D33 WeakPolarHBondContact CA-OD2 3.33Å
13	K	75.1	Confident	59.5	Low	33 Å²	33	93.9 Å²	93.9	14%	0.143	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-64.5	146.1	178.8	-73.7	175.2	-174.9	172.4	0	110.7	P11 G15 D33 C36 G38 R40 K41	P11-K13 PolarHBondContact O-N 3.47Å; K13-G15 PolarHBondContact O-N 3.13Å; K13-D33 HydrophobicContact CB-CB 4.12Å; K13-D33 HydrophobicContact CD-CB 4.02Å; K13-D33 WeakPolarHBondContact CE-O 3.35Å; K13-D33 HydrophobicContact CG-CB 3.95Å; K13-D33 PolarHBondContact N-OD2 2.75Å; K13-D33 PolarHBondContact NZ-O 3.35Å; K13-C36 PolarHBondContact NZ-O 2.77Å; K13-G38 WeakPolarHBondContact CD-O 3Å; K13-G38 WeakPolarHBondContact CE-O 3.21Å; K13-G38 PolarHBondContact NZ-O 2.81Å; K13-R40 VanDerWaalsContact CD-O 3.23Å; K13-R40 WeakPolarHBondContact CD-O 3.38Å; K13-R40 PolarHBondContact NZ-O 2.8Å; K13-K41 HydrophobicContact CB-CG 4.08Å; K13-K41 PolarHBondContact O-NZ 3.36Å
14	P	68.4	Low	59.4	Low	113 Å²	113	93 Å²	93	73%	0.734	56%	0.56	S	S	*	*	S	Bend	trans	-64.3	135.8	179.8	26.7	-33.8	0	0	0	110.8
15	G	68	Low	59.3	Low	28 Å²	28	94.1 Å²	94.1	29%	0.289	55%	0.553	S	S	.	*	S	Bend	trans	121	172.7	-177.4	0	0	0	0	0	112.3	K13 K41	K13-G15 PolarHBondContact O-N 3.13Å; G15-K41 WeakPolarHBondContact O-CD 3.03Å; G15-K41 WeakPolarHBondContact O-CE 3.38Å
16	I	70.7	Confident	59.2	Low	76 Å²	76	95.8 Å²	95.8	39%	0.39	56%	0.555	S	S	.	*	B	Isolated β-bridge	trans	-126.6	144.9	-177.7	-56.2	163.9	0	0	0	107.9	A55 R57 A60	I16-A55 PolarHBondContact O-N 2.75Å; I16-R57 HydrophobicContact CD1-CG 4.13Å; I16-A60 HydrophobicContact CB-CB 3.41Å; I16-A60 VanDerWaalsContact CB-CB 3.41Å; I16-A60 HydrophobicContact CD1-CB 3.99Å; I16-A60 HydrophobicContact CG1-CB 4.27Å; I16-A60 HydrophobicContact CG2-CB 3.54Å
17	C	70.7	Confident	59.4	Low	36 Å²	36	89.4 Å²	89.4	24%	0.243	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-59.1	127.6	174.3	-68.8	0	0	0	0	111.1	W19 C43	C17-W19 PolarHBondContact O-N 2.72Å; C17-C43 WeakPolarHBondContact CA-SG 3.19Å; C17-C43 HydrophobicContact CB-CB 3.56Å; C17-C43 WeakPolarHBondContact CB-SG 3.33Å; C17-C43 WeakPolarHBondContact SG-CA 3.11Å; C17-C43 WeakPolarHBondContact SG-CB 3.47Å; C17-C43 CovalentContact SG-SG 2.02Å; C17-C43 PolarHBondContact SG-SG 2.85Å
18	P	63.4	Low	59.8	Low	40 Å²	40	96 Å²	96	26%	0.26	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-64.6	132.7	175.1	23.2	-28.9	0	0	0	111.4	S21 V52 A55	P18-S21 PolarHBondContact O-N 3.23Å; P18-S21 PolarHBondContact O-OG 2.85Å; P18-V52 HydrophobicContact CG-CG2 4.02Å; P18-A55 HydrophobicContact CB-CB 3.99Å
19	W	54.7	Low	60.8	Low	233 Å²	233	96.1 Å²	96.1	88%	0.883	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	150.8	176.1	-131.2	90.3	0	0	0	110.5	C17	C17-W19 PolarHBondContact O-N 2.72Å
20	P	53.6	Low	62.3	Low	83 Å²	83	90 Å²	90	54%	0.539	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn		-69.6	124.7	-58	31.5	-21.8	0	0	0	109	S22	P20-S22 VanDerWaalsContact C-N 3.26Å; P20-S22 PolarHBondContact O-N 2.84Å
21	S	53.6	Low	63.7	Low	17 Å²	17	89.3 Å²	89.3	12%	0.119	51%	0.505	C	S	.	.			trans	-66.6	87.7	175.6	-69.3	0	0	0	0	109.1	P18 V23	P18-S21 PolarHBondContact O-N 3.23Å; P18-S21 PolarHBondContact O-OG 2.85Å; S21-V23 PolarHBondContact O-N 3.48Å
22	S	52.1	Low	64.9	Low	90 Å²	90	86.9 Å²	86.9	63%	0.629	49%	0.486	S	S	*	.			trans	-65.1	30.9	161.8	-62.3	0	0	0	0	111.1	P20 T24	P20-S22 VanDerWaalsContact C-N 3.26Å; P20-S22 PolarHBondContact O-N 2.84Å; S22-T24 PolarHBondContact O-N 2.03Å
23	V	54.4	Low	65.7	Low	41 Å²	41	81.3 Å²	81.3	25%	0.248	46%	0.456	C	S	.	.			trans	-69.1	90.6	174.5	177.8	0	0	0	0	105.5	S21 T45 V52	S21-V23 PolarHBondContact O-N 3.48Å; V23-T45 HydrophobicContact CB-CG2 4.44Å; V23-V52 HydrophobicContact CG2-CG1 3.99Å
24	T	55.2	Low	66	Low	135 Å²	135	85.5 Å²	85.5	83%	0.828	48%	0.48	S	S	*	.			trans	-81.5	-6.9	165.9	49.2	0	0	0	0	111.2	S22	S22-T24 PolarHBondContact O-N 2.03Å
25	T	52.6	Low	66.7	Low	98 Å²	98	84.9 Å²	84.9	60%	0.601	47%	0.47	S	S	*	.	S	Bend	trans	-68.3	139.6	178.9	-28.6	0	0	0	0	109.6	S27	T25-S27 PolarHBondContact O-N 3.13Å
26	P	55.5	Low	67.5	Low	130 Å²	130	83.8 Å²	83.8	84%	0.844	46%	0.458	S	S	*	.			trans	-66.1	85.2	173.9	27.2	-35.1	0	0	0	109.8
27	S	58.5	Low	68	Low	35 Å²	35	88.5 Å²	88.5	25%	0.245	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-85.7	145.6	164.3	-103.1	0	0	0	0	108.4	T25 L29 R40 C51	T25-S27 PolarHBondContact O-N 3.13Å; S27-L29 PolarHBondContact O-N 2.81Å; S27-R40 PolarHBondContact OG-NH2 3.18Å; S27-C51 PolarHBondContact OG-O 2.7Å; S27-C51 VanDerWaalsContact OG-O 3.07Å
28	R	65.5	Low	68.5	Low	218 Å²	218	89.8 Å²	89.8	82%	0.823	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-55.3	134.4	173.2	-69.2	-179.2	178.5	-123.1	-0.4	109.1	C30	R28-C30 PolarHBondContact O-N 2.9Å
29	L	76.3	Confident	69.2	Low	140 Å²	140	91.4 Å²	91.4	73%	0.733	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-58.7	133.1	166.7	-70.7	158.4	0	0	0	108.3	S27 N49	S27-L29 PolarHBondContact O-N 2.81Å; L29-N49 WeakPolarHBondContact CA-O 3.22Å
30	C	83.1	Confident	70.4	Confident	9 Å²	9	84.6 Å²	84.6	6%	0.061	49%	0.485	C	S	.	.			trans	-130.4	155.1	179.3	56.3	0	0	0	0	109.4	R28 D35 C42 N49	R28-C30 PolarHBondContact O-N 2.9Å; C30-D35 HydrophobicContact CB-CB 3.82Å; C30-C42 HydrophobicContact CB-CB 3.73Å; C30-C42 WeakPolarHBondContact CB-SG 3.32Å; C30-C42 PolarHBondContact O-SG 2.75Å; C30-C42 WeakPolarHBondContact SG-CA 3.44Å; C30-C42 WeakPolarHBondContact SG-CB 3.35Å; C30-C42 CovalentContact SG-SG 2.02Å; C30-C42 PolarHBondContact SG-SG 3.37Å; C30-N49 WeakPolarHBondContact O-CB 3.36Å; C30-N49 PolarHBondContact O-ND2 3.28Å
31	S	82.9	Confident	71.8	Confident	92 Å²	92	81.5 Å²	81.5	64%	0.643	46%	0.463	S	S	*	.	S	Bend	trans	-102	-38.5	172.9	-55.4	0	0	0	0	110.6	D35	S31-D35 WeakPolarHBondContact CA-OD2 3.11Å; S31-D35 PolarHBondContact N-OD2 3.22Å
32	D	82.9	Confident	73.2	Confident	52 Å²	52	81.4 Å²	81.4	28%	0.278	46%	0.462	S	S	.	.	S	Bend	trans	-139.5	165.6	-176.8	-69.1	-86.5	0	0	0	111.7	K10 D34 D35 C42	K10-D32 IonicContact NZ-OD1 2.79Å; K10-D32 IonicContact NZ-OD2 3.29Å; K10-D32 PolarHBondContact NZ-OD2 2.93Å; D32-D34 PolarHBondContact O-N 2.02Å; D32-D34 VanDerWaalsContact O-N 3.13Å; D32-D35 PolarHBondContact N-OD2 2.88Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 2.88Å; D32-D35 VanDerWaalsContact O-N 3.13Å; D32-C42 WeakPolarHBondContact O-CB 3.18Å
33	D	82	Confident	74.6	Confident	8 Å²	8	77.1 Å²	77.1	4%	0.043	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-55	-31.3	179.1	-76.3	-19.7	0	0	0	113.9	N12 K13 D35 C36 K41 C42	N12-D33 WeakPolarHBondContact CA-OD2 3.33Å; K13-D33 HydrophobicContact CB-CB 4.12Å; K13-D33 HydrophobicContact CD-CB 4.02Å; K13-D33 WeakPolarHBondContact CE-O 3.35Å; K13-D33 HydrophobicContact CG-CB 3.95Å; K13-D33 PolarHBondContact N-OD2 2.75Å; K13-D33 PolarHBondContact NZ-O 3.35Å; D33-D35 VanDerWaalsContact C-N 3.31Å; D33-D35 PolarHBondContact O-N 3.45Å; D33-C36 VanDerWaalsContact O-CB 3.32Å; D33-C36 WeakPolarHBondContact O-CB 3.17Å; D33-C36 PolarHBondContact O-N 2.67Å; D33-C36 VanDerWaalsContact O-N 3.15Å; D33-K41 WeakPolarHBondContact OD1-CA 2.98Å; D33-K41 WeakPolarHBondContact OD1-CB 2.94Å; D33-K41 WeakPolarHBondContact OD1-CG 3.34Å; D33-K41 IonicContact OD1-NZ 3.66Å; D33-K41 IonicContact OD2-NZ 2.62Å; D33-K41 PolarHBondContact OD2-NZ 2.93Å; D33-C42 PolarHBondContact OD1-N 3.45Å
34	D	81.6	Confident	75.5	Confident	122 Å²	122	79.9 Å²	79.9	65%	0.652	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-70.6	-26.2	-177.5	-155.2	-112.8	0	0	0	112.8	D32 C36	D32-D34 PolarHBondContact O-N 2.02Å; D32-D34 VanDerWaalsContact O-N 3.13Å; D34-C36 PolarHBondContact O-N 3.24Å; D34-C36 VanDerWaalsContact O-N 3.15Å
35	D	84.4	Confident	76.3	Confident	99 Å²	99	74.7 Å²	74.7	53%	0.529	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-63	-21.8	172.1	-67.2	-54.8	0	0	0	111.9	C30 S31 D32 D33	C30-D35 HydrophobicContact CB-CB 3.82Å; S31-D35 WeakPolarHBondContact CA-OD2 3.11Å; S31-D35 PolarHBondContact N-OD2 3.22Å; D32-D35 PolarHBondContact N-OD2 2.88Å; D32-D35 WeakPolarHBondContact O-CB 3.23Å; D32-D35 PolarHBondContact O-N 2.88Å; D32-D35 VanDerWaalsContact O-N 3.13Å; D33-D35 VanDerWaalsContact C-N 3.31Å; D33-D35 PolarHBondContact O-N 3.45Å
36	C	82.9	Confident	77.1	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.034	43%	0.431	C	S	.	.	S	Bend	trans	-87.9	144.4	-179.8	-56.3	0	0	0	0	111	K13 D33 D34 R40 C51	K13-C36 PolarHBondContact NZ-O 2.77Å; D33-C36 VanDerWaalsContact O-CB 3.32Å; D33-C36 WeakPolarHBondContact O-CB 3.17Å; D33-C36 PolarHBondContact O-N 2.67Å; D33-C36 VanDerWaalsContact O-N 3.15Å; D34-C36 PolarHBondContact O-N 3.24Å; D34-C36 VanDerWaalsContact O-N 3.15Å; C36-R40 HydrophobicContact CB-CB 3.92Å; C36-R40 WeakPolarHBondContact CB-O 3.35Å; C36-C51 WeakPolarHBondContact CA-SG 3.32Å; C36-C51 HydrophobicContact CB-CB 3.65Å; C36-C51 WeakPolarHBondContact CB-SG 3.22Å; C36-C51 WeakPolarHBondContact SG-CA 3.36Å; C36-C51 WeakPolarHBondContact SG-CB 2.97Å; C36-C51 CovalentContact SG-SG 2.03Å; C36-C51 PolarHBondContact SG-SG 3.3Å
37	Q	82	Confident	77.9	Confident	175 Å²	175	77.2 Å²	77.2	82%	0.818	42%	0.424	S	S	*	.	S	Bend	trans	-81.1	142.8	176.5	-68.3	179.7	-5	0	0	111.6	R40	Q37-R40 WeakPolarHBondContact O-CB 3.32Å
38	G	82.2	Confident	78.7	Confident	63 Å²	63	77 Å²	77	65%	0.649	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-142.4	176.5	0	0	0	0	0	113.1	K13 R40	K13-G38 WeakPolarHBondContact CD-O 3Å; K13-G38 WeakPolarHBondContact CE-O 3.21Å; K13-G38 PolarHBondContact NZ-O 2.81Å; G38-R40 PolarHBondContact O-N 2.84Å
39	S	77.1	Confident	79.5	Confident	75 Å²	75	69.7 Å²	69.7	52%	0.524	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.3	179.9	46.7	0	0	0	0	114.4	P54	S39-P54 WeakPolarHBondContact O-CD 3.33Å; S39-P54 VanDerWaalsContact O-CG 3.22Å; S39-P54 WeakPolarHBondContact O-CG 3.47Å
40	R	80.3	Confident	79.8	Confident	90 Å²	90	63.3 Å²	63.3	34%	0.34	37%	0.371	S	S	.	.			trans	-65.5	139.6	-177.8	-63.7	177	69.5	170.7	3.7	110.9	K13 S27 C36 Q37 G38 C51 V52	K13-R40 VanDerWaalsContact CD-O 3.23Å; K13-R40 WeakPolarHBondContact CD-O 3.38Å; K13-R40 PolarHBondContact NZ-O 2.8Å; S27-R40 PolarHBondContact OG-NH2 3.18Å; C36-R40 HydrophobicContact CB-CB 3.92Å; C36-R40 WeakPolarHBondContact CB-O 3.35Å; Q37-R40 WeakPolarHBondContact O-CB 3.32Å; G38-R40 PolarHBondContact O-N 2.84Å; R40-C51 PolarHBondContact NH2-O 2.02Å; R40-V52 CarbonylContact C-O 3.54Å; R40-V52 VanDerWaalsContact CA-O 3.32Å; R40-V52 WeakPolarHBondContact CA-O 2.98Å
41	K	82.8	Confident	79.8	Confident	17 Å²	17	63.4 Å²	63.4	7%	0.074	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149.2	179.9	-72.3	-175.9	69.2	75.7	0	111.1	K13 G15 D33 C43 C51 V52 P54	K13-K41 HydrophobicContact CB-CG 4.08Å; K13-K41 PolarHBondContact O-NZ 3.36Å; G15-K41 WeakPolarHBondContact O-CD 3.03Å; G15-K41 WeakPolarHBondContact O-CE 3.38Å; D33-K41 WeakPolarHBondContact OD1-CA 2.98Å; D33-K41 WeakPolarHBondContact OD1-CB 2.94Å; D33-K41 WeakPolarHBondContact OD1-CG 3.34Å; D33-K41 IonicContact OD1-NZ 3.66Å; D33-K41 IonicContact OD2-NZ 2.62Å; D33-K41 PolarHBondContact OD2-NZ 2.93Å; K41-C43 PolarHBondContact O-N 3.2Å; K41-C51 CarbonylContact O-C 3.54Å; K41-C51 WeakPolarHBondContact O-CA 3.36Å; K41-V52 PolarHBondContact N-O 3.43Å; K41-V52 PolarHBondContact O-N 2.96Å; K41-P54 HydrophobicContact CD-CB 3.91Å; K41-P54 HydrophobicContact CG-CB 4.17Å
42	C	83.7	Confident	79.5	Confident	16 Å²	16	59.5 Å²	59.5	11%	0.108	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.8	172.6	-174.8	0	0	0	0	109.2	C30 D32 D33	C30-C42 HydrophobicContact CB-CB 3.73Å; C30-C42 WeakPolarHBondContact CB-SG 3.32Å; C30-C42 PolarHBondContact O-SG 2.75Å; C30-C42 WeakPolarHBondContact SG-CA 3.44Å; C30-C42 WeakPolarHBondContact SG-CB 3.35Å; C30-C42 CovalentContact SG-SG 2.02Å; C30-C42 PolarHBondContact SG-SG 3.37Å; D32-C42 WeakPolarHBondContact O-CB 3.18Å; D33-C42 PolarHBondContact OD1-N 3.45Å
43	C	80.2	Confident	79.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.8	-170.9	-63.6	0	0	0	0	111.4	C17 K41 T45 N49 A50 V52	C17-C43 WeakPolarHBondContact CA-SG 3.19Å; C17-C43 HydrophobicContact CB-CB 3.56Å; C17-C43 WeakPolarHBondContact CB-SG 3.33Å; C17-C43 WeakPolarHBondContact SG-CA 3.11Å; C17-C43 WeakPolarHBondContact SG-CB 3.47Å; C17-C43 CovalentContact SG-SG 2.02Å; C17-C43 PolarHBondContact SG-SG 2.85Å; K41-C43 PolarHBondContact O-N 3.2Å; C43-T45 PolarHBondContact O-N 2.99Å; C43-N49 WeakPolarHBondContact O-CA 2.92Å; C43-A50 PolarHBondContact N-O 2.62Å; C43-A50 PolarHBondContact O-N 3.27Å; C43-V52 HydrophobicContact CB-CG2 3.5Å; C43-V52 VanDerWaalsContact CB-CG2 3.5Å; C43-V52 WeakPolarHBondContact SG-CG2 3.48Å
44	P	73.5	Confident	78.7	Confident	99 Å²	99	62.9 Å²	62.9	64%	0.643	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	129.6	175.5	28.4	-33.6	0	0	0	110.2
45	T	72.9	Confident	77.8	Confident	25 Å²	25	57.6 Å²	57.6	15%	0.153	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	173.7	175.9	77.2	0	0	0	0	109.9	V23 C43 A47 G48 A50	V23-T45 HydrophobicContact CB-CG2 4.44Å; C43-T45 PolarHBondContact O-N 2.99Å; T45-A47 PolarHBondContact O-N 3.49Å; T45-A47 PolarHBondContact OG1-N 2.74Å; T45-G48 CarbonylContact C-O 3.58Å; T45-G48 WeakPolarHBondContact CA-O 3.17Å; T45-G48 WeakPolarHBondContact CB-O 3.48Å; T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.03Å; T45-A50 HydrophobicContact CG2-CB 3.67Å
46	K	68.9	Low	76.5	Confident	198 Å²	198	56.3 Å²	56.3	86%	0.861	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.2	176	-73.8	-170.9	176.5	-178.9	0	113.6
47	A	71.3	Confident	75	Confident	83 Å²	83	65.4 Å²	65.4	69%	0.686	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	9.1	-179	0	0	0	0	0	113.3	T45	T45-A47 PolarHBondContact O-N 3.49Å; T45-A47 PolarHBondContact OG1-N 2.74Å
48	G	76.6	Confident	73.1	Confident	30 Å²	30	63.7 Å²	63.7	31%	0.309	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-161.2	-171.5	0	0	0	0	0	111.7	T45	T45-G48 CarbonylContact C-O 3.58Å; T45-G48 WeakPolarHBondContact CA-O 3.17Å; T45-G48 WeakPolarHBondContact CB-O 3.48Å; T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.03Å
49	N	82.3	Confident	71.4	Confident	66 Å²	66	65.3 Å²	65.3	35%	0.353	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135	179.3	-71.6	-2.6	0	0	0	110.9	L29 C30 C43	L29-N49 WeakPolarHBondContact CA-O 3.22Å; C30-N49 WeakPolarHBondContact O-CB 3.36Å; C30-N49 PolarHBondContact O-ND2 3.28Å; C43-N49 WeakPolarHBondContact O-CA 2.92Å
50	A	82.2	Confident	69.9	Low	5 Å²	5	63.4 Å²	63.4	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	142.7	-180	0	0	0	0	0	111.3	C43 T45 V52	C43-A50 PolarHBondContact N-O 2.62Å; C43-A50 PolarHBondContact O-N 3.27Å; T45-A50 HydrophobicContact CG2-CB 3.67Å; A50-V52 HydrophobicContact CB-CG1 4.39Å; A50-V52 PolarHBondContact O-N 3.5Å
51	C	82.8	Confident	68.3	Low	11 Å²	11	61.6 Å²	61.6	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	116.9	168.2	-65.5	0	0	0	0	110.3	S27 C36 R40 K41	S27-C51 PolarHBondContact OG-O 2.7Å; S27-C51 VanDerWaalsContact OG-O 3.07Å; C36-C51 WeakPolarHBondContact CA-SG 3.32Å; C36-C51 HydrophobicContact CB-CB 3.65Å; C36-C51 WeakPolarHBondContact CB-SG 3.22Å; C36-C51 WeakPolarHBondContact SG-CA 3.36Å; C36-C51 WeakPolarHBondContact SG-CB 2.97Å; C36-C51 CovalentContact SG-SG 2.03Å; C36-C51 PolarHBondContact SG-SG 3.3Å; R40-C51 PolarHBondContact NH2-O 2.02Å; K41-C51 CarbonylContact O-C 3.54Å; K41-C51 WeakPolarHBondContact O-CA 3.36Å
52	V	77.9	Confident	66.6	Low	10 Å²	10	66.4 Å²	66.4	6%	0.061	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.5	178.8	-59.8	0	0	0	0	110	P18 V23 R40 K41 C43 A50	P18-V52 HydrophobicContact CG-CG2 4.02Å; V23-V52 HydrophobicContact CG2-CG1 3.99Å; R40-V52 CarbonylContact C-O 3.54Å; R40-V52 VanDerWaalsContact CA-O 3.32Å; R40-V52 WeakPolarHBondContact CA-O 2.98Å; K41-V52 PolarHBondContact N-O 3.43Å; K41-V52 PolarHBondContact O-N 2.96Å; C43-V52 HydrophobicContact CB-CG2 3.5Å; C43-V52 VanDerWaalsContact CB-CG2 3.5Å; C43-V52 WeakPolarHBondContact SG-CG2 3.48Å; A50-V52 HydrophobicContact CB-CG1 4.39Å; A50-V52 PolarHBondContact O-N 3.5Å
53	D	78	Confident	65.2	Low	101 Å²	101	74.9 Å²	74.9	54%	0.54	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-62	130	171.5	-71	-74.6	0	0	0	109.3	A55	D53-A55 PolarHBondContact O-N 2.76Å
54	P	69.7	Low	64.3	Low	30 Å²	30	77.5 Å²	77.5	20%	0.195	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-60.2	131.2	176.6	26.1	-34.4	0	0	0	107.8	S39 K41 S56	S39-P54 WeakPolarHBondContact O-CD 3.33Å; S39-P54 VanDerWaalsContact O-CG 3.22Å; S39-P54 WeakPolarHBondContact O-CG 3.47Å; K41-P54 HydrophobicContact CD-CB 3.91Å; K41-P54 HydrophobicContact CG-CB 4.17Å; P54-S56 PolarHBondContact O-N 2.98Å
55	A	63.2	Low	64.3	Low	12 Å²	12	75 Å²	75	10%	0.099	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-59.9	132.7	164.3	0	0	0	0	0	107.1	I16 P18 D53 R57 L59 A60	I16-A55 PolarHBondContact O-N 2.75Å; P18-A55 HydrophobicContact CB-CB 3.99Å; D53-A55 PolarHBondContact O-N 2.76Å; A55-R57 PolarHBondContact O-N 2.72Å; A55-L59 HydrophobicContact CB-CB 3.86Å; A55-A60 HydrophobicContact CB-CB 3.8Å
56	S	55.9	Low	64.7	Low	71 Å²	71	76.1 Å²	76.1	50%	0.497	41%	0.411	S	S	.	.			trans	-45	138.9	162.3	173.5	0	0	0	0	107	P54 Q58 L59 A60	P54-S56 PolarHBondContact O-N 2.98Å; S56-Q58 CarbonylContact O-C 3.49Å; S56-Q58 PolarHBondContact O-N 2.71Å; S56-Q58 PolarHBondContact OG-N 3.44Å; S56-L59 PolarHBondContact O-N 2.8Å; S56-A60 PolarHBondContact O-N 2.97Å
57	R	50.9	Low	65.1	Low	197 Å²	197	67.1 Å²	67.1	74%	0.743	37%	0.373	S	S	*	.	H	α-helix	trans	-47.2	-24.6	176.4	-89.8	-178.6	170.8	-137.3	0.7	112	I16 A55 G61	I16-R57 HydrophobicContact CD1-CG 4.13Å; A55-R57 PolarHBondContact O-N 2.72Å; R57-G61 VanDerWaalsContact O-CA 3.31Å; R57-G61 WeakPolarHBondContact O-CA 3.11Å; R57-G61 PolarHBondContact O-N 3.26Å
58	Q	43.8	Very low	65.4	Low	138 Å²	138	67.2 Å²	67.2	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-62.7	-40.9	170.9	-64.1	-163.5	-4.9	0	0	114.5	S56 R62	S56-Q58 CarbonylContact O-C 3.49Å; S56-Q58 PolarHBondContact O-N 2.71Å; S56-Q58 PolarHBondContact OG-N 3.44Å; Q58-R62 WeakPolarHBondContact O-CB 2.96Å; Q58-R62 WeakPolarHBondContact O-CD 3.31Å; Q58-R62 WeakPolarHBondContact O-CG 3.15Å; Q58-R62 PolarHBondContact O-N 3.05Å
59	L	45.7	Very low	65.6	Low	98 Å²	98	67.5 Å²	67.5	51%	0.513	37%	0.366	S	S	.	.	H	α-helix	trans	-82.6	-45	179.2	-84.3	95.4	0	0	0	112.9	A55 S56 G61 R62	A55-L59 HydrophobicContact CB-CB 3.86Å; S56-L59 PolarHBondContact O-N 2.8Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.47Å; L59-R62 PolarHBondContact O-N 3.29Å
60	A	45.4	Very low	65.3	Low	35 Å²	35	67.4 Å²	67.4	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-72.3	-26	179.4	0	0	0	0	0	113.1	I16 A55 S56	I16-A60 HydrophobicContact CB-CB 3.41Å; I16-A60 VanDerWaalsContact CB-CB 3.41Å; I16-A60 HydrophobicContact CD1-CB 3.99Å; I16-A60 HydrophobicContact CG1-CB 4.27Å; I16-A60 HydrophobicContact CG2-CB 3.54Å; A55-A60 HydrophobicContact CB-CB 3.8Å; S56-A60 PolarHBondContact O-N 2.97Å
61	G	46.2	Very low	65.1	Low	52 Å²	52	74.9 Å²	74.9	54%	0.536	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.2	173.1	0	0	0	0	0	113.8	R57 L59 R63	R57-G61 VanDerWaalsContact O-CA 3.31Å; R57-G61 WeakPolarHBondContact O-CA 3.11Å; R57-G61 PolarHBondContact O-N 3.26Å; L59-G61 VanDerWaalsContact C-N 3.29Å; L59-G61 PolarHBondContact O-N 3.47Å; G61-R63 PolarHBondContact O-N 3.24Å
62	R	48.1	Very low	65.1	Low	118 Å²	118	75.1 Å²	75.1	45%	0.445	40%	0.404	S	S	.	.			trans	-71.5	76.9	166.5	-98.7	163	179.9	-70.6	13.6	106.4	Q58 L59 P64 P106	Q58-R62 WeakPolarHBondContact O-CB 2.96Å; Q58-R62 WeakPolarHBondContact O-CD 3.31Å; Q58-R62 WeakPolarHBondContact O-CG 3.15Å; Q58-R62 PolarHBondContact O-N 3.05Å; L59-R62 PolarHBondContact O-N 3.29Å; R62-P64 VanDerWaalsContact O-N 3.16Å; R62-P106 HydrophobicContact CB-CG 4.26Å; R62-P106 VanDerWaalsContact CD-CG 3.41Å; R62-P106 HydrophobicContact CG-CG 3.85Å; R62-P106 VanDerWaalsContact CZ-CB 3.41Å
63	R	54.7	Low	64.8	Low	193 Å²	193	81.4 Å²	81.4	73%	0.728	43%	0.434	S	S	*	.			trans	-40.8	126.6	159	-179.4	-177.1	-67	-91.9	2.5	105.1	G61 S65	G61-R63 PolarHBondContact O-N 3.24Å; R63-S65 PolarHBondContact O-N 2.89Å
64	P	61.2	Low	64.5	Low	56 Å²	56	79.1 Å²	79.1	36%	0.364	44%	0.435	S	S	.	.			trans	-45.2	114.7	-178.2	-25.4	30.5	0	0	0	108.5	R62 T103	R62-P64 VanDerWaalsContact O-N 3.16Å; P64-T103 HydrophobicContact CB-CG2 3.85Å; P64-T103 WeakPolarHBondContact CB-OG1 3.43Å; P64-T103 WeakPolarHBondContact O-CG2 3.49Å
65	S	73.3	Confident	64.8	Low	47 Å²	47	83.9 Å²	83.9	33%	0.329	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-96.7	162.1	-172.7	79.6	0	0	0	0	108.8	R63 T103 V104	R63-S65 PolarHBondContact O-N 2.89Å; S65-T103 WeakPolarHBondContact O-CA 3.38Å; S65-V104 PolarHBondContact N-O 3.09Å; S65-V104 PolarHBondContact O-N 2.72Å
66	C	80	Confident	65.7	Low	47 Å²	47	86.4 Å²	86.4	32%	0.318	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-56.5	138.9	166.9	-66.8	0	0	0	0	109.7	C92	C66-C92 WeakPolarHBondContact CA-SG 3.3Å; C66-C92 HydrophobicContact CB-CB 3.51Å; C66-C92 WeakPolarHBondContact CB-SG 3.42Å; C66-C92 WeakPolarHBondContact SG-CA 3.01Å; C66-C92 WeakPolarHBondContact SG-CB 3.45Å; C66-C92 CovalentContact SG-SG 2.02Å; C66-C92 PolarHBondContact SG-SG 3.27Å
67	P	77.8	Confident	66.9	Low	10 Å²	10	86 Å²	86	7%	0.065	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-64.2	167.2	168.4	29.5	-33.3	0	0	0	110	A69 V72 V102 V104	P67-A69 PolarHBondContact O-N 3.48Å; P67-V72 HydrophobicContact CG-CG2 3.94Å; P67-V102 WeakPolarHBondContact CD-O 3.45Å; P67-V104 VanDerWaalsContact CA-CG2 3.49Å; P67-V104 HydrophobicContact CB-CB 4.39Å; P67-V104 HydrophobicContact CB-CG1 3.84Å; P67-V104 HydrophobicContact CB-CG2 3.64Å; P67-V104 HydrophobicContact CG-CG1 4.47Å
68	P	78.5	Confident	68.6	Low	84 Å²	84	79.3 Å²	79.3	55%	0.545	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-52.6	144.6	171.3	-20	29.8	0	0	0	110	A70 Y71 V72	P68-A70 PolarHBondContact O-N 3.42Å; P68-Y71 HydrophobicContact CB-CD2 4.03Å; P68-Y71 HydrophobicContact CG-CD2 3.99Å; P68-Y71 HydrophobicContact CG-CE2 4.43Å; P68-Y71 WeakPolarHBondContact O-CA 3.28Å; P68-Y71 PolarHBondContact O-N 2.95Å; P68-V72 PolarHBondContact O-N 2.77Å
69	A	79	Confident	70.9	Confident	36 Å²	36	73 Å²	73	30%	0.298	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-52.2	-28.5	-173.5	0	0	0	0	0	114.3	P67 Y71 V72 D93 N95	P67-A69 PolarHBondContact O-N 3.48Å; A69-Y71 VanDerWaalsContact C-N 3.25Å; A69-Y71 PolarHBondContact O-N 3.06Å; A69-V72 PolarHBondContact O-N 3.36Å; A69-D93 WeakPolarHBondContact CB-O 3.44Å; A69-N95 VanDerWaalsContact CB-OD1 3.28Å; A69-N95 WeakPolarHBondContact CB-OD1 3.45Å
70	A	77.1	Confident	73	Confident	65 Å²	65	79.1 Å²	79.1	54%	0.537	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-65.7	-21.7	174.2	0	0	0	0	0	114.7	P68	P68-A70 PolarHBondContact O-N 3.42Å
71	Y	78.9	Confident	75.1	Confident	161 Å²	161	82.5 Å²	82.5	63%	0.631	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-107	-0.9	179.1	-66.1	-80.3	0	0	0	112.8	P68 A69 M73	P68-Y71 HydrophobicContact CB-CD2 4.03Å; P68-Y71 HydrophobicContact CG-CD2 3.99Å; P68-Y71 HydrophobicContact CG-CE2 4.43Å; P68-Y71 WeakPolarHBondContact O-CA 3.28Å; P68-Y71 PolarHBondContact O-N 2.95Å; A69-Y71 VanDerWaalsContact C-N 3.25Å; A69-Y71 PolarHBondContact O-N 3.06Å; Y71-M73 PolarHBondContact O-N 2.81Å
72	V	82.6	Confident	76.9	Confident	17 Å²	17	83.4 Å²	83.4	10%	0.103	45%	0.451	C	S	.	.			trans	-71.9	83.4	172.9	175.8	0	0	0	0	107.4	P67 P68 A69 C92	P67-V72 HydrophobicContact CG-CG2 3.94Å; P68-V72 PolarHBondContact O-N 2.77Å; A69-V72 PolarHBondContact O-N 3.36Å; V72-C92 HydrophobicContact CG1-CB 3.93Å; V72-C92 HydrophobicContact CG2-CB 3.87Å
73	M	71.5	Confident	78.8	Confident	142 Å²	142	85.5 Å²	85.5	70%	0.7	46%	0.463	S	S	*	.			trans	-83.2	126.1	179.1	-70.8	-70.3	178.3	0	0	110	Y71	Y71-M73 PolarHBondContact O-N 2.81Å
74	G	72	Confident	80.5	Confident	53 Å²	53	79.8 Å²	79.8	55%	0.546	45%	0.447	S	S	.	.	S	Bend	trans	157	-176.3	174.7	0	0	0	0	0	112	S99	G74-S99 WeakPolarHBondContact CA-OG 2.95Å
75	I	75	Confident	81.8	Confident	130 Å²	130	78 Å²	78	67%	0.667	44%	0.436	S	S	*	.			trans	-76.5	124.2	179.3	-57.7	175.4	0	0	0	108.9	G77 S78 S99	I75-G77 PolarHBondContact O-N 3.49Å; I75-S78 VanDerWaalsContact O-CB 3.3Å; I75-S78 WeakPolarHBondContact O-CB 3.39Å; I75-S78 PolarHBondContact O-N 2.02Å; I75-S78 PolarHBondContact O-OG 3.47Å; I75-S99 PolarHBondContact N-OG 3.48Å; I75-S99 VanDerWaalsContact N-OG 3.08Å; I75-S99 WeakPolarHBondContact O-CB 3.33Å; I75-S99 PolarHBondContact O-OG 3.29Å
76	P	81.3	Confident	82.4	Confident	64 Å²	64	81 Å²	81	42%	0.416	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	133	176.4	24.5	-31.6	0	0	0	110.6	E96	P76-E96 HydrophobicContact CB-CB 4.12Å; P76-E96 WeakPolarHBondContact CB-O 3.12Å; P76-E96 HydrophobicContact CG-CB 4.34Å
77	G	82.7	Confident	82.5	Confident	63 Å²	63	87 Å²	87	65%	0.649	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	8.6	-176.4	0	0	0	0	0	115	I75 C79 K98	I75-G77 PolarHBondContact O-N 3.49Å; G77-C79 PolarHBondContact O-N 3.35Å; G77-K98 WeakPolarHBondContact CA-O 3.01Å; G77-K98 PolarHBondContact N-O 3.08Å
78	S	86.4	Confident	82.3	Confident	57 Å²	57	89.4 Å²	89.4	40%	0.399	50%	0.503	S	S	.	.	S	Bend	trans	-69	-17.3	178.9	49.2	0	0	0	0	114.1	I75 K98 S99 C100	I75-S78 VanDerWaalsContact O-CB 3.3Å; I75-S78 WeakPolarHBondContact O-CB 3.39Å; I75-S78 PolarHBondContact O-N 2.02Å; I75-S78 PolarHBondContact O-OG 3.47Å; S78-K98 PolarHBondContact N-O 3.5Å; S78-S99 PolarHBondContact OG-OG 2.76Å; S78-C100 PolarHBondContact OG-N 2.03Å
79	C	92.2	Very high	82.6	Confident	6 Å²	6	89 Å²	89	4%	0.041	49%	0.493	C	S	.	.			trans	-146.6	158.9	-176.9	66.7	0	0	0	0	112.4	G77 D84 C91 C100	G77-C79 PolarHBondContact O-N 3.35Å; C79-D84 HydrophobicContact CB-CB 3.95Å; C79-C91 HydrophobicContact CB-CB 3.7Å; C79-C91 WeakPolarHBondContact CB-SG 3.42Å; C79-C91 PolarHBondContact O-SG 3.31Å; C79-C91 VanDerWaalsContact O-SG 3.39Å; C79-C91 WeakPolarHBondContact SG-CA 3.34Å; C79-C91 WeakPolarHBondContact SG-CB 3.45Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.89Å; C79-C100 VanDerWaalsContact CB-SG 3.5Å
80	R	89.9	Confident	83	Confident	226 Å²	226	89.5 Å²	89.5	85%	0.853	49%	0.489	S	S	*	.	S	Bend	trans	-116.8	-24.2	170.1	-60.1	-173.5	-175.8	-175.3	2	112.2	D84	R80-D84 WeakPolarHBondContact CA-OD2 2.94Å; R80-D84 PolarHBondContact N-OD2 2.79Å
81	K	88.4	Confident	83.7	Confident	106 Å²	106	87.1 Å²	87.1	46%	0.461	47%	0.468	S	S	.	.	S	Bend	trans	-153.1	160.1	-177.1	53.8	-172.4	172.5	-162.1	0	110.5	K83 D84 C91	K81-K83 HydrophobicContact CD-CD 4.17Å; K81-K83 VanDerWaalsContact CD-CE 3.48Å; K81-K83 HydrophobicContact CD-CG 3.77Å; K81-K83 HydrophobicContact CG-CG 3.82Å; K81-K83 PolarHBondContact O-N 3.13Å; K81-K83 VanDerWaalsContact O-N 3.09Å; K81-D84 WeakPolarHBondContact CE-OD1 3.46Å; K81-D84 WeakPolarHBondContact CG-OD1 3.43Å; K81-D84 VanDerWaalsContact CG-OD2 3.27Å; K81-D84 WeakPolarHBondContact CG-OD2 3.4Å; K81-D84 PolarHBondContact N-OD2 3.41Å; K81-D84 WeakPolarHBondContact O-CB 3.41Å; K81-D84 PolarHBondContact O-N 2.92Å; K81-C91 WeakPolarHBondContact O-CB 2.99Å
82	D	85.2	Confident	84.2	Confident	70 Å²	70	79.5 Å²	79.5	37%	0.374	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-51.8	-38	-174	-63	-27.7	0	0	0	114.2	D84 C85 K90 C91	D82-D84 PolarHBondContact O-N 2.88Å; D82-C85 WeakPolarHBondContact O-CB 2.78Å; D82-C85 PolarHBondContact O-N 2.99Å; D82-K90 WeakPolarHBondContact OD1-CB 3.23Å; D82-K90 VanDerWaalsContact OD1-CE 3.23Å; D82-K90 WeakPolarHBondContact OD1-CE 3.42Å; D82-K90 WeakPolarHBondContact OD2-CE 2.97Å; D82-K90 IonicContact OD2-NZ 2.7Å; D82-K90 PolarHBondContact OD2-NZ 2.86Å; D82-C91 PolarHBondContact OD1-N 3.31Å
83	K	86.2	Confident	84.6	Confident	163 Å²	163	83.2 Å²	83.2	71%	0.709	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-72.6	-5.4	-179.4	68.1	171.5	-172	168.8	0	115.2	K81	K81-K83 HydrophobicContact CD-CD 4.17Å; K81-K83 VanDerWaalsContact CD-CE 3.48Å; K81-K83 HydrophobicContact CD-CG 3.77Å; K81-K83 HydrophobicContact CG-CG 3.82Å; K81-K83 PolarHBondContact O-N 3.13Å; K81-K83 VanDerWaalsContact O-N 3.09Å
84	D	91	Very high	85.2	Confident	73 Å²	73	77.2 Å²	77.2	39%	0.39	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-82.3	-9.8	170.9	-51.9	-29.7	0	0	0	110.9	C79 R80 K81 D82	C79-D84 HydrophobicContact CB-CB 3.95Å; R80-D84 WeakPolarHBondContact CA-OD2 2.94Å; R80-D84 PolarHBondContact N-OD2 2.79Å; K81-D84 WeakPolarHBondContact CE-OD1 3.46Å; K81-D84 WeakPolarHBondContact CG-OD1 3.43Å; K81-D84 VanDerWaalsContact CG-OD2 3.27Å; K81-D84 WeakPolarHBondContact CG-OD2 3.4Å; K81-D84 PolarHBondContact N-OD2 3.41Å; K81-D84 WeakPolarHBondContact O-CB 3.41Å; K81-D84 PolarHBondContact O-N 2.92Å; D82-D84 PolarHBondContact O-N 2.88Å
85	C	88.5	Confident	85.8	Confident	19 Å²	19	80.9 Å²	80.9	13%	0.128	44%	0.439	C	S	.	.	S	Bend	trans	-104.3	158.4	-179.3	-53.5	0	0	0	0	111.7	D82 K89 C100	D82-C85 WeakPolarHBondContact O-CB 2.78Å; D82-C85 PolarHBondContact O-N 2.99Å; C85-K89 HydrophobicContact CB-CB 3.83Å; C85-C100 WeakPolarHBondContact CA-SG 3.46Å; C85-C100 HydrophobicContact CB-CB 3.71Å; C85-C100 WeakPolarHBondContact CB-SG 3.27Å; C85-C100 WeakPolarHBondContact SG-CA 3.14Å; C85-C100 WeakPolarHBondContact SG-CB 3.33Å; C85-C100 CovalentContact SG-SG 2.03Å; C85-C100 PolarHBondContact SG-SG 3.42Å
86	D	87.2	Confident	86.2	Confident	108 Å²	108	83 Å²	83	58%	0.578	45%	0.446	S	S	*	.			trans	-61.2	158.8	172.4	-51.5	-65.5	0	0	0	112.3	G88 K89	D86-G88 PolarHBondContact O-N 2.68Å; D86-K89 HydrophobicContact CB-CD 4.34Å; D86-K89 WeakPolarHBondContact O-CB 3.33Å; D86-K89 PolarHBondContact O-N 2.84Å; D86-K89 IonicContact OD2-NZ 3.7Å; D86-K89 PolarHBondContact OD2-NZ 2.96Å
87	D	80.4	Confident	86.5	Confident	174 Å²	174	81.4 Å²	81.4	93%	0.93	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	129.2	174.4	-70.8	-67.5	0	0	0	112.1	K89	D87-K89 VanDerWaalsContact C-N 3.34Å
88	G	74.5	Confident	86.9	Confident	60 Å²	60	82.4 Å²	82.4	62%	0.619	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-7.9	-177.8	0	0	0	0	0	115.2	D86	D86-G88 PolarHBondContact O-N 2.68Å
89	K	84.2	Confident	87.1	Confident	76 Å²	76	79.9 Å²	79.9	33%	0.33	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	155	171.3	-60.4	175.5	-162	164.9	0	110.4	C85 D86 D87 C100 S101 V102	C85-K89 HydrophobicContact CB-CB 3.83Å; D86-K89 HydrophobicContact CB-CD 4.34Å; D86-K89 WeakPolarHBondContact O-CB 3.33Å; D86-K89 PolarHBondContact O-N 2.84Å; D86-K89 IonicContact OD2-NZ 3.7Å; D86-K89 PolarHBondContact OD2-NZ 2.96Å; D87-K89 VanDerWaalsContact C-N 3.34Å; K89-C100 HydrophobicContact CD-CB 4.47Å; K89-S101 WeakPolarHBondContact CA-O 3.36Å; K89-V102 HydrophobicContact CG-CG1 4.15Å
90	K	88.4	Confident	87	Confident	47 Å²	47	80.9 Å²	80.9	20%	0.204	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.9	175.6	-70.2	-167.2	77.2	177.1	0	110	D82 C92 C100 S101 T103	D82-K90 WeakPolarHBondContact OD1-CB 3.23Å; D82-K90 VanDerWaalsContact OD1-CE 3.23Å; D82-K90 WeakPolarHBondContact OD1-CE 3.42Å; D82-K90 WeakPolarHBondContact OD2-CE 2.97Å; D82-K90 IonicContact OD2-NZ 2.7Å; D82-K90 PolarHBondContact OD2-NZ 2.86Å; K90-C92 PolarHBondContact O-N 2.81Å; K90-C92 PolarHBondContact O-SG 2.03Å; K90-C100 WeakPolarHBondContact O-CA 3.26Å; K90-S101 PolarHBondContact N-O 2.8Å; K90-S101 PolarHBondContact O-N 3.39Å; K90-T103 HydrophobicContact CB-CG2 3.68Å; K90-T103 HydrophobicContact CD-CG2 3.23Å; K90-T103 HydrophobicContact CG-CG2 3.32Å
91	C	91.4	Very high	86.9	Confident	15 Å²	15	70.4 Å²	70.4	10%	0.101	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	108.8	177	-172.1	0	0	0	0	108.7	C79 K81 D82	C79-C91 HydrophobicContact CB-CB 3.7Å; C79-C91 WeakPolarHBondContact CB-SG 3.42Å; C79-C91 PolarHBondContact O-SG 3.31Å; C79-C91 VanDerWaalsContact O-SG 3.39Å; C79-C91 WeakPolarHBondContact SG-CA 3.34Å; C79-C91 WeakPolarHBondContact SG-CB 3.45Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.89Å; K81-C91 WeakPolarHBondContact O-CB 2.99Å; D82-C91 PolarHBondContact OD1-N 3.31Å
92	C	90.3	Very high	86.6	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.5	-168.4	-68.4	0	0	0	0	111.1	C66 V72 K90 G94 K98 S99	C66-C92 WeakPolarHBondContact CA-SG 3.3Å; C66-C92 HydrophobicContact CB-CB 3.51Å; C66-C92 WeakPolarHBondContact CB-SG 3.42Å; C66-C92 WeakPolarHBondContact SG-CA 3.01Å; C66-C92 WeakPolarHBondContact SG-CB 3.45Å; C66-C92 CovalentContact SG-SG 2.02Å; C66-C92 PolarHBondContact SG-SG 3.27Å; V72-C92 HydrophobicContact CG1-CB 3.93Å; V72-C92 HydrophobicContact CG2-CB 3.87Å; K90-C92 PolarHBondContact O-N 2.81Å; K90-C92 PolarHBondContact O-SG 2.03Å; C92-G94 PolarHBondContact O-N 3.45Å; C92-K98 CarbonylContact O-C 3.49Å; C92-K98 VanDerWaalsContact O-CA 3.26Å; C92-K98 WeakPolarHBondContact O-CA 3.39Å; C92-S99 PolarHBondContact N-O 3.48Å; C92-S99 PolarHBondContact O-N 3.22Å
93	D	89.2	Confident	86.2	Confident	96 Å²	96	68 Å²	68	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.9	174.5	-70.5	-77.6	0	0	0	110.3	A69 K98	A69-D93 WeakPolarHBondContact CB-O 3.44Å; D93-K98 WeakPolarHBondContact OD1-CE 3.01Å; D93-K98 WeakPolarHBondContact OD1-CG 3.18Å; D93-K98 IonicContact OD1-NZ 2.68Å; D93-K98 PolarHBondContact OD1-NZ 3.22Å; D93-K98 IonicContact OD2-NZ 2.84Å; D93-K98 PolarHBondContact OD2-NZ 3.07Å
94	G	85.7	Confident	85.4	Confident	16 Å²	16	63 Å²	63	17%	0.165	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	177.4	169.5	0	0	0	0	0	112	C92 E96 G97	C92-G94 PolarHBondContact O-N 3.45Å; G94-E96 VanDerWaalsContact C-N 3.28Å; G94-E96 PolarHBondContact O-N 2.69Å; G94-G97 WeakPolarHBondContact CA-O 3.42Å; G94-G97 PolarHBondContact N-O 2.76Å; G94-G97 PolarHBondContact O-N 3.23Å
95	N	84.5	Confident	83.9	Confident	129 Å²	129	65.2 Å²	65.2	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.6	178.2	-70.8	-22.6	0	0	0	112.5	A69	A69-N95 VanDerWaalsContact CB-OD1 3.28Å; A69-N95 WeakPolarHBondContact CB-OD1 3.45Å
96	E	83.6	Confident	82.1	Confident	175 Å²	175	65.6 Å²	65.6	82%	0.818	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4	-177.2	-59.8	-174.1	111.1	0	0	112.8	P76 G94	P76-E96 HydrophobicContact CB-CB 4.12Å; P76-E96 WeakPolarHBondContact CB-O 3.12Å; P76-E96 HydrophobicContact CG-CB 4.34Å; G94-E96 VanDerWaalsContact C-N 3.28Å; G94-E96 PolarHBondContact O-N 2.69Å
97	G	87.7	Confident	80.5	Confident	31 Å²	31	75.2 Å²	75.2	32%	0.32	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.7	-177.3	179.4	0	0	0	0	0	113.8	G94	G94-G97 WeakPolarHBondContact CA-O 3.42Å; G94-G97 PolarHBondContact N-O 2.76Å; G94-G97 PolarHBondContact O-N 3.23Å
98	K	91.1	Very high	80.5	Confident	84 Å²	84	70.3 Å²	70.3	37%	0.365	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.4	178.4	-69.9	-178.1	-170.7	-66.1	0	111.2	G77 S78 C92 D93	G77-K98 WeakPolarHBondContact CA-O 3.01Å; G77-K98 PolarHBondContact N-O 3.08Å; S78-K98 PolarHBondContact N-O 3.5Å; C92-K98 CarbonylContact O-C 3.49Å; C92-K98 VanDerWaalsContact O-CA 3.26Å; C92-K98 WeakPolarHBondContact O-CA 3.39Å; D93-K98 WeakPolarHBondContact OD1-CE 3.01Å; D93-K98 WeakPolarHBondContact OD1-CG 3.18Å; D93-K98 IonicContact OD1-NZ 2.68Å; D93-K98 PolarHBondContact OD1-NZ 3.22Å; D93-K98 IonicContact OD2-NZ 2.84Å; D93-K98 PolarHBondContact OD2-NZ 3.07Å
99	S	90.3	Very high	80.8	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.7	177.7	-157.1	0	0	0	0	112.5	G74 I75 S78 C92 S101	G74-S99 WeakPolarHBondContact CA-OG 2.95Å; I75-S99 PolarHBondContact N-OG 3.48Å; I75-S99 VanDerWaalsContact N-OG 3.08Å; I75-S99 WeakPolarHBondContact O-CB 3.33Å; I75-S99 PolarHBondContact O-OG 3.29Å; S78-S99 PolarHBondContact OG-OG 2.76Å; C92-S99 PolarHBondContact N-O 3.48Å; C92-S99 PolarHBondContact O-N 3.22Å; S99-S101 PolarHBondContact O-N 2.95Å; S99-S101 VanDerWaalsContact O-N 3.13Å
100	C	90.1	Very high	80.6	Confident	27 Å²	27	70.6 Å²	70.6	18%	0.182	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	104.9	175	-71.4	0	0	0	0	110.2	S78 C79 C85 K89 K90	S78-C100 PolarHBondContact OG-N 2.03Å; C79-C100 VanDerWaalsContact CB-SG 3.5Å; C85-C100 WeakPolarHBondContact CA-SG 3.46Å; C85-C100 HydrophobicContact CB-CB 3.71Å; C85-C100 WeakPolarHBondContact CB-SG 3.27Å; C85-C100 WeakPolarHBondContact SG-CA 3.14Å; C85-C100 WeakPolarHBondContact SG-CB 3.33Å; C85-C100 CovalentContact SG-SG 2.03Å; C85-C100 PolarHBondContact SG-SG 3.42Å; K89-C100 HydrophobicContact CD-CB 4.47Å; K90-C100 WeakPolarHBondContact O-CA 3.26Å
101	S	86.7	Confident	80.1	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.4	179.8	-160.7	0	0	0	0	111.7	K89 K90 S99 T103	K89-S101 WeakPolarHBondContact CA-O 3.36Å; K90-S101 PolarHBondContact N-O 2.8Å; K90-S101 PolarHBondContact O-N 3.39Å; S99-S101 PolarHBondContact O-N 2.95Å; S99-S101 VanDerWaalsContact O-N 3.13Å; S101-T103 PolarHBondContact O-N 2.94Å
102	V	82.7	Confident	79.4	Confident	89 Å²	89	75.5 Å²	75.5	54%	0.539	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.6	172.3	-67.3	0	0	0	0	108.7	P67 K89	P67-V102 WeakPolarHBondContact CD-O 3.45Å; K89-V102 HydrophobicContact CG-CG1 4.15Å
103	T	75.7	Confident	78.7	Confident	37 Å²	37	80.5 Å²	80.5	23%	0.227	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-73.9	138.5	177	48.7	0	0	0	0	110.3	P64 S65 K90 S101	P64-T103 HydrophobicContact CB-CG2 3.85Å; P64-T103 WeakPolarHBondContact CB-OG1 3.43Å; P64-T103 WeakPolarHBondContact O-CG2 3.49Å; S65-T103 WeakPolarHBondContact O-CA 3.38Å; K90-T103 HydrophobicContact CB-CG2 3.68Å; K90-T103 HydrophobicContact CD-CG2 3.23Å; K90-T103 HydrophobicContact CG-CG2 3.32Å; S101-T103 PolarHBondContact O-N 2.94Å
104	V	71	Confident	78	Confident	59 Å²	59	79.4 Å²	79.4	36%	0.358	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-101.8	139.7	175.2	-63.7	0	0	0	0	109.4	S65 P67 P106	S65-V104 PolarHBondContact N-O 3.09Å; S65-V104 PolarHBondContact O-N 2.72Å; P67-V104 VanDerWaalsContact CA-CG2 3.49Å; P67-V104 HydrophobicContact CB-CB 4.39Å; P67-V104 HydrophobicContact CB-CG1 3.84Å; P67-V104 HydrophobicContact CB-CG2 3.64Å; P67-V104 HydrophobicContact CG-CG1 4.47Å; V104-P106 WeakPolarHBondContact O-CD 3.07Å
105	L	59.2	Low	77.4	Confident	119 Å²	119	84.3 Å²	84.3	62%	0.623	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-73.8	123.8	163.3	-81.3	147.3	0	0	0	107	R107	L105-R107 PolarHBondContact O-N 3.31Å
106	P	50.9	Low	76.8	Confident	27 Å²	27	80.6 Å²	80.6	18%	0.175	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-63.1	125.9	175.7	-21.6	37.3	0	0	0	108.1	R62 V104	R62-P106 HydrophobicContact CB-CG 4.26Å; R62-P106 VanDerWaalsContact CD-CG 3.41Å; R62-P106 HydrophobicContact CG-CG 3.85Å; R62-P106 VanDerWaalsContact CZ-CB 3.41Å; V104-P106 WeakPolarHBondContact O-CD 3.07Å
107	R	52.3	Low	76.2	Confident	310 Å²	310	72 Å²	72	100%	1.17	37%	0.366	S	S	*	.			trans	-58.8	0	172.9	-95	-179.9	77	-133.1	7.4	111.5	L105	L105-R107 PolarHBondContact O-N 3.31Å

Retrieved 107 of 107 residues in 463.3 ms (Link to these results)

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