A0A077Z0D1_TRITR Loading...

Small ubiquitin-related modifier

AlphaFold DB , UniProt , Accession A0A077Z0D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

						>A0A077Z0D1_TRITR|A0A077Z0D1
MDKTEDSESAPDRSIVIKVVNQHGNDVSFRVKSQTSMEKVKRTYASRMQLPLESLRFQYEGRRITDDMTPESLKLQNNETIEVYQVQEGGWTNIPSYSH
					

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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	45.8	Very low	50.2	Low	240 Å²	240	140.5 Å²	140.5	100%	1.182	77%	0.773	S	S	*	*				0	128.6	0	-85.3	64.3	173.5	0	0	107.8	K3	M1-K3 PolarHBondContact O-N 2.93Å
2	D	48.3	Very low	51	Low	139 Å²	139	142.1 Å²	142.1	74%	0.743	78%	0.779	S	S	*	*			trans	-52.7	112.2	-174.3	-137.8	-93.3	0	0	0	110.7	T4	D2-T4 HydrophobicContact CB-CG2 4.25Å; D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact O-N 3.08Å; D2-T4 WeakPolarHBondContact OD1-CG2 3.02Å
3	K	50.3	Low	52.9	Low	191 Å²	191	145.3 Å²	145.3	83%	0.83	77%	0.773	S	S	*	*			trans	-86	70.6	172.8	-167.3	176.8	70.6	-86.5	0	105.9	M1 E5	M1-K3 PolarHBondContact O-N 2.93Å; K3-E5 PolarHBondContact O-N 2.93Å
4	T	50.7	Low	55.1	Low	109 Å²	109	139 Å²	139	67%	0.669	75%	0.746	S	S	*	*			trans	-55.9	124.7	-176.3	43.8	0	0	0	0	109.3	D2	D2-T4 HydrophobicContact CB-CG2 4.25Å; D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact O-N 3.08Å; D2-T4 WeakPolarHBondContact OD1-CG2 3.02Å
5	E	54.9	Low	57.4	Low	177 Å²	177	131 Å²	131	83%	0.827	70%	0.703	S	S	*	*			trans	-54.7	135.3	-167.3	-72.8	141.9	96.4	0	0	113.3	K3 S7	K3-E5 PolarHBondContact O-N 2.93Å; E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.94Å
6	D	49.5	Very low	59.6	Low	128 Å²	128	125.6 Å²	125.6	68%	0.684	68%	0.676	S	S	*	*			trans	-56.4	89.9	169.6	-162.2	-90.4	0	0	0	107.3	E8 K39	D6-E8 VanDerWaalsContact C-N 3.31Å; D6-E8 PolarHBondContact O-N 3.18Å; D6-K39 IonicContact OD2-NZ 3.09Å; D6-K39 PolarHBondContact OD2-NZ 3.02Å
7	S	51.7	Low	61.5	Low	123 Å²	123	118.2 Å²	118.2	86%	0.86	64%	0.636	S	S	*	*			trans	-71.9	95.3	-179.9	-158.9	0	0	0	0	108.9	E5	E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.94Å
8	E	49.9	Very low	63.3	Low	164 Å²	164	115.5 Å²	115.5	77%	0.766	62%	0.617	S	S	*	*			trans	-41.8	144	165.1	-159.8	162.9	77.6	0	0	111.9	D6	D6-E8 VanDerWaalsContact C-N 3.31Å; D6-E8 PolarHBondContact O-N 3.18Å
9	S	46.1	Very low	64.9	Low	102 Å²	102	109.4 Å²	109.4	71%	0.713	59%	0.585	S	S	*	*			trans	82	72.3	160.6	-48.9	0	0	0	0	119.7
10	A	52.3	Low	66.3	Low	56 Å²	56	105.8 Å²	105.8	46%	0.463	57%	0.567	S	S	.	*			trans	-132.5	111.2	139.4	0	0	0	0	0	109.6
11	P	52.8	Low	67.5	Low	117 Å²	117	101.5 Å²	101.5	76%	0.76	54%	0.544	S	S	*	.			trans	-74.8	148.1	171	30.9	-29.3	0	0	0	109.5
12	D	60.1	Low	69.5	Low	159 Å²	159	95.5 Å²	95.5	85%	0.85	51%	0.513	S	S	*	.	S	Bend	trans	93.3	3.8	163.6	-142.5	-118.6	0	0	0	121
13	R	75	Confident	71.4	Confident	184 Å²	184	95.2 Å²	95.2	69%	0.694	51%	0.507	S	S	*	.			trans	-119.3	50.8	176.2	-58.6	-171.9	173.9	100.9	1.3	113.8	S33	R13-S33 PolarHBondContact O-N 2.78Å; R13-S33 VanDerWaalsContact O-N 3.13Å
14	S	84.1	Confident	73.1	Confident	57 Å²	57	88.7 Å²	88.7	40%	0.399	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.9	170.2	-59.9	0	0	0	0	110.1	V31	S14-V31 CarbonylContact C-O 3.55Å; S14-V31 WeakPolarHBondContact CA-O 3.3Å
15	I	90.1	Very high	74.9	Confident	19 Å²	19	87.6 Å²	87.6	10%	0.097	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.2	173.1	64	169.6	0	0	0	111.6	I17 R30 V31 P70 L75 N77	I15-I17 HydrophobicContact CD1-CG2 3.9Å; I15-I17 HydrophobicContact CG1-CG2 4.22Å; I15-R30 CarbonylContact O-C 3.5Å; I15-R30 WeakPolarHBondContact O-CA 3.41Å; I15-V31 HydrophobicContact CG1-CG2 4.31Å; I15-V31 PolarHBondContact N-O 3.44Å; I15-V31 PolarHBondContact O-N 3.27Å; I15-V31 VanDerWaalsContact O-O 3.08Å; I15-P70 HydrophobicContact CD1-CB 3.63Å; I15-L75 HydrophobicContact CD1-CB 3.73Å; I15-L75 WeakPolarHBondContact CD1-O 3.36Å; I15-N77 WeakPolarHBondContact CA-OD1 3.47Å; I15-N77 WeakPolarHBondContact CB-OD1 3.4Å
16	V	91.8	Very high	76.6	Confident	45 Å²	45	83.4 Å²	83.4	27%	0.273	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.6	171.3	-178	0	0	0	0	109	F29 R30 N77 N78	V16-F29 CarbonylContact C-O 3.5Å; V16-F29 WeakPolarHBondContact CA-O 3.4Å; V16-R30 HydrophobicContact CG2-CB 4.37Å; V16-R30 HydrophobicContact CG2-CG 4.32Å; V16-N77 PolarHBondContact N-OD1 3.23Å; V16-N77 VanDerWaalsContact N-OD1 3.1Å; V16-N78 WeakPolarHBondContact O-CA 3.35Å; V16-N78 PolarHBondContact O-N 3.22Å
17	I	92.5	Very high	78.6	Confident	0 Å²	0	79 Å²	79	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147	175.7	62	177.5	0	0	0	109.2	I15 S28 F29 V31 M37 V40 L75 E79 I81	I15-I17 HydrophobicContact CD1-CG2 3.9Å; I15-I17 HydrophobicContact CG1-CG2 4.22Å; I17-S28 CarbonylContact O-C 3.59Å; I17-S28 WeakPolarHBondContact O-CA 3.34Å; I17-F29 HydrophobicContact CG1-CB 4Å; I17-F29 PolarHBondContact N-O 2.99Å; I17-F29 PolarHBondContact O-N 2.75Å; I17-V31 HydrophobicContact CD1-CG2 3.82Å; I17-V31 HydrophobicContact CG1-CG2 4.25Å; I17-M37 HydrophobicContact CD1-CE 4.3Å; I17-V40 HydrophobicContact CD1-CB 4.33Å; I17-V40 HydrophobicContact CD1-CG1 3.69Å; I17-V40 HydrophobicContact CD1-CG2 3.69Å; I17-L75 HydrophobicContact CG2-CB 4.37Å; I17-L75 HydrophobicContact CG2-CD1 4.12Å; I17-E79 CarbonylContact C-O 3.53Å; I17-E79 WeakPolarHBondContact CA-O 2.85Å; I17-I81 HydrophobicContact CD1-CD1 3.92Å
18	K	93.5	Very high	80.6	Confident	69 Å²	69	76.3 Å²	76.3	30%	0.3	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134	177.7	-61.3	-173.7	179.6	177.5	0	108.9	V27 E79 T80 I81	K18-V27 CarbonylContact C-O 3.48Å; K18-V27 WeakPolarHBondContact CA-O 3.39Å; K18-E79 PolarHBondContact N-O 2.87Å; K18-T80 CarbonylContact O-C 3.54Å; K18-T80 WeakPolarHBondContact O-CA 3.07Å; K18-I81 PolarHBondContact O-N 3.3Å
19	V	93.3	Very high	82.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110	-178.6	-177.2	0	0	0	0	107.8	D26 V27 F29 V40 Y44 F57 I81 V83	V19-D26 CarbonylContact O-C 3.6Å; V19-D26 VanDerWaalsContact O-CA 3.28Å; V19-D26 WeakPolarHBondContact O-CA 3.35Å; V19-V27 PolarHBondContact N-O 2.66Å; V19-V27 PolarHBondContact O-N 3.44Å; V19-F29 HydrophobicContact CB-CD2 4.3Å; V19-F29 HydrophobicContact CB-CE2 4Å; V19-F29 HydrophobicContact CG2-CD2 3.59Å; V19-F29 HydrophobicContact CG2-CE2 3.69Å; V19-V40 HydrophobicContact CG2-CG1 4Å; V19-Y44 HydrophobicContact CB-CD2 3.78Å; V19-Y44 HydrophobicContact CB-CE2 4.03Å; V19-Y44 HydrophobicContact CB-CG 4.49Å; V19-Y44 HydrophobicContact CG1-CD1 4.25Å; V19-Y44 HydrophobicContact CG1-CD2 3.37Å; V19-Y44 HydrophobicContact CG1-CE1 4.4Å; V19-Y44 HydrophobicContact CG1-CE2 3.53Å; V19-Y44 HydrophobicContact CG1-CG 3.74Å; V19-F57 HydrophobicContact CG1-CD1 4.26Å; V19-F57 HydrophobicContact CG1-CE1 3.92Å; V19-I81 CarbonylContact C-O 3.51Å; V19-I81 WeakPolarHBondContact CA-O 3.37Å; V19-I81 HydrophobicContact CG2-CB 4.34Å; V19-V83 HydrophobicContact CG1-CB 4.45Å; V19-V83 HydrophobicContact CG1-CG2 3.19Å
20	V	93.5	Very high	84.7	Confident	37 Å²	37	74.2 Å²	74.2	22%	0.224	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.2	-171.5	-172.7	0	0	0	0	109.8	N25 D26 T80 I81 E82 V83	V20-N25 CarbonylContact C-O 3.52Å; V20-N25 VanDerWaalsContact CA-O 3.3Å; V20-N25 WeakPolarHBondContact CA-O 3.43Å; V20-D26 HydrophobicContact CB-CB 4.39Å; V20-D26 HydrophobicContact CG2-CB 3.62Å; V20-T80 HydrophobicContact CB-CG2 4.17Å; V20-T80 HydrophobicContact CG2-CG2 3.35Å; V20-I81 PolarHBondContact N-O 2.65Å; V20-E82 CarbonylContact O-C 3.56Å; V20-E82 WeakPolarHBondContact O-CA 3.26Å; V20-V83 PolarHBondContact O-N 3.08Å
21	N	91.1	Very high	86.4	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.08	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	173.9	172.2	68	14.5	0	0	0	113.1	H23 G24 N25 Y44 V83	N21-H23 PolarHBondContact O-N 2.83Å; N21-H23 VanDerWaalsContact O-N 3.11Å; N21-H23 WeakPolarHBondContact OD1-CA 3.41Å; N21-H23 WeakPolarHBondContact OD1-CB 3.35Å; N21-H23 PolarHBondContact OD1-N 2.77Å; N21-G24 PolarHBondContact O-N 3.01Å; N21-G24 PolarHBondContact OD1-N 3.02Å; N21-N25 PolarHBondContact N-O 3.11Å; N21-N25 WeakPolarHBondContact ND2-CB 3.47Å; N21-N25 PolarHBondContact ND2-OD1 3.49Å; N21-N25 WeakPolarHBondContact OD1-CB 3.39Å; N21-N25 PolarHBondContact OD1-N 2.94Å; N21-N25 PolarHBondContact OD1-O 2.75Å; N21-N25 PolarHBondContact OD1-OD1 2.95Å; N21-Y44 WeakPolarHBondContact CB-OH 3.49Å; N21-V83 WeakPolarHBondContact CA-O 3.41Å
22	Q	87.2	Confident	88	Confident	115 Å²	115	72 Å²	72	54%	0.537	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.1	174.2	-60.7	173.9	-64.6	0	0	114.4	V83 Y84	Q22-V83 PolarHBondContact N-O 2.88Å; Q22-Y84 HydrophobicContact CG-CD1 3.74Å; Q22-Y84 HydrophobicContact CG-CE1 4.04Å; Q22-Y84 HydrophobicContact CG-CG 4.4Å; Q22-Y84 VanDerWaalsContact NE2-CD1 3.26Å
23	H	88.4	Confident	89.1	Confident	133 Å²	133	65.3 Å²	65.3	62%	0.616	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.3	177.3	-55.5	-66.6	0	0	0	112.8	N21	N21-H23 PolarHBondContact O-N 2.83Å; N21-H23 VanDerWaalsContact O-N 3.11Å; N21-H23 WeakPolarHBondContact OD1-CA 3.41Å; N21-H23 WeakPolarHBondContact OD1-CB 3.35Å; N21-H23 PolarHBondContact OD1-N 2.77Å
24	G	86.4	Confident	89.5	Confident	53 Å²	53	62.3 Å²	62.3	55%	0.546	33%	0.325	S	S	.	.	S	Bend	trans	81.2	9.4	-176.2	0	0	0	0	0	114.7	N21	N21-G24 PolarHBondContact O-N 3.01Å; N21-G24 PolarHBondContact OD1-N 3.02Å
25	N	89.5	Confident	89.6	Confident	86 Å²	86	60.8 Å²	60.8	46%	0.46	31%	0.313	S	S	.	.			trans	-77.6	122.6	170.3	-52.6	110.2	0	0	0	109.9	V20 N21	V20-N25 CarbonylContact C-O 3.52Å; V20-N25 VanDerWaalsContact CA-O 3.3Å; V20-N25 WeakPolarHBondContact CA-O 3.43Å; N21-N25 PolarHBondContact N-O 3.11Å; N21-N25 WeakPolarHBondContact ND2-CB 3.47Å; N21-N25 PolarHBondContact ND2-OD1 3.49Å; N21-N25 WeakPolarHBondContact OD1-CB 3.39Å; N21-N25 PolarHBondContact OD1-N 2.94Å; N21-N25 PolarHBondContact OD1-O 2.75Å; N21-N25 PolarHBondContact OD1-OD1 2.95Å
26	D	90.3	Very high	89.6	Confident	90 Å²	90	61.5 Å²	61.5	48%	0.481	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.4	175.4	76	-79.9	0	0	0	112.9	V19 V20	V19-D26 CarbonylContact O-C 3.6Å; V19-D26 VanDerWaalsContact O-CA 3.28Å; V19-D26 WeakPolarHBondContact O-CA 3.35Å; V20-D26 HydrophobicContact CB-CB 4.39Å; V20-D26 HydrophobicContact CG2-CB 3.62Å
27	V	91.7	Very high	89.5	Confident	36 Å²	36	59.4 Å²	59.4	22%	0.218	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	120.9	175.1	-173.7	0	0	0	0	109.1	K18 V19 F29 Y44	K18-V27 CarbonylContact C-O 3.48Å; K18-V27 WeakPolarHBondContact CA-O 3.39Å; V19-V27 PolarHBondContact N-O 2.66Å; V19-V27 PolarHBondContact O-N 3.44Å; V27-F29 HydrophobicContact CB-CE2 3.78Å; V27-F29 HydrophobicContact CB-CZ 4.05Å; V27-F29 HydrophobicContact CG1-CD2 4.28Å; V27-F29 HydrophobicContact CG1-CE1 4Å; V27-F29 HydrophobicContact CG1-CE2 3.52Å; V27-F29 HydrophobicContact CG1-CZ 3.36Å; V27-F29 WeakPolarHBondContact O-CD2 3.48Å; V27-Y44 HydrophobicContact CB-CD2 4.12Å; V27-Y44 HydrophobicContact CB-CE2 4.22Å; V27-Y44 HydrophobicContact CG2-CD2 4.06Å; V27-Y44 HydrophobicContact CG2-CE2 3.81Å
28	S	92.4	Very high	89.4	Confident	66 Å²	66	62.3 Å²	62.3	46%	0.462	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130	177.9	-62.1	0	0	0	0	111.5	I17	I17-S28 CarbonylContact O-C 3.59Å; I17-S28 WeakPolarHBondContact O-CA 3.34Å
29	F	91.3	Very high	89.2	Confident	22 Å²	22	63.9 Å²	63.9	10%	0.096	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.9	175.1	-63	-79.7	0	0	0	110.6	V16 I17 V19 V27 V31 V40 T43 Y44	V16-F29 CarbonylContact C-O 3.5Å; V16-F29 WeakPolarHBondContact CA-O 3.4Å; I17-F29 HydrophobicContact CG1-CB 4Å; I17-F29 PolarHBondContact N-O 2.99Å; I17-F29 PolarHBondContact O-N 2.75Å; V19-F29 HydrophobicContact CB-CD2 4.3Å; V19-F29 HydrophobicContact CB-CE2 4Å; V19-F29 HydrophobicContact CG2-CD2 3.59Å; V19-F29 HydrophobicContact CG2-CE2 3.69Å; V27-F29 HydrophobicContact CB-CE2 3.78Å; V27-F29 HydrophobicContact CB-CZ 4.05Å; V27-F29 HydrophobicContact CG1-CD2 4.28Å; V27-F29 HydrophobicContact CG1-CE1 4Å; V27-F29 HydrophobicContact CG1-CE2 3.52Å; V27-F29 HydrophobicContact CG1-CZ 3.36Å; V27-F29 WeakPolarHBondContact O-CD2 3.48Å; F29-V31 HydrophobicContact CB-CG1 4.42Å; F29-V40 HydrophobicContact CD2-CG1 4.16Å; F29-T43 HydrophobicContact CD1-CG2 4.14Å; F29-T43 HydrophobicContact CE1-CG2 3.44Å; F29-T43 VanDerWaalsContact CE1-CG2 3.44Å; F29-T43 HydrophobicContact CZ-CG2 4.28Å; F29-Y44 HydrophobicContact CE2-CD2 4.02Å; F29-Y44 HydrophobicContact CZ-CD2 4.28Å
30	R	91	Very high	89.1	Confident	200 Å²	200	64 Å²	64	76%	0.755	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.4	169.7	-174.1	174.4	68	179.4	1.5	109.1	I15 V16	I15-R30 CarbonylContact O-C 3.5Å; I15-R30 WeakPolarHBondContact O-CA 3.41Å; V16-R30 HydrophobicContact CG2-CB 4.37Å; V16-R30 HydrophobicContact CG2-CG 4.32Å
31	V	88.4	Confident	89	Confident	19 Å²	19	63 Å²	63	12%	0.115	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.8	-178.3	-64.1	0	0	0	0	111.1	S14 I15 I17 F29 T35 V40 P70	S14-V31 CarbonylContact C-O 3.55Å; S14-V31 WeakPolarHBondContact CA-O 3.3Å; I15-V31 HydrophobicContact CG1-CG2 4.31Å; I15-V31 PolarHBondContact N-O 3.44Å; I15-V31 PolarHBondContact O-N 3.27Å; I15-V31 VanDerWaalsContact O-O 3.08Å; I17-V31 HydrophobicContact CD1-CG2 3.82Å; I17-V31 HydrophobicContact CG1-CG2 4.25Å; F29-V31 HydrophobicContact CB-CG1 4.42Å; V31-T35 HydrophobicContact CB-CG2 4.46Å; V31-V40 HydrophobicContact CB-CG2 4.44Å; V31-V40 HydrophobicContact CG1-CG2 3.66Å; V31-V40 HydrophobicContact CG2-CG2 4.26Å; V31-P70 HydrophobicContact CG2-CG 4.01Å
32	K	86.8	Confident	89	Confident	106 Å²	106	69.5 Å²	69.5	46%	0.461	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	151.5	174.5	-51.5	-179.7	-179.3	179.7	0	110	Q34 T35	K32-Q34 PolarHBondContact O-N 2.75Å; K32-Q34 VanDerWaalsContact O-N 3.12Å; K32-T35 WeakPolarHBondContact CA-OG1 3.42Å; K32-T35 VanDerWaalsContact CB-OG1 3.26Å; K32-T35 WeakPolarHBondContact CB-OG1 3.39Å; K32-T35 PolarHBondContact N-OG1 3.44Å; K32-T35 VanDerWaalsContact O-CB 3.26Å; K32-T35 WeakPolarHBondContact O-CB 3.49Å; K32-T35 PolarHBondContact O-N 2.97Å; K32-T35 PolarHBondContact O-OG1 2.8Å; K32-T35 VanDerWaalsContact O-OG1 3.08Å
33	S	83.1	Confident	89.2	Confident	19 Å²	19	67 Å²	67	13%	0.133	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.8	177	68	0	0	0	0	113.2	R13 P70 E71	R13-S33 PolarHBondContact O-N 2.78Å; R13-S33 VanDerWaalsContact O-N 3.13Å; S33-P70 VanDerWaalsContact O-CD 3.29Å; S33-P70 WeakPolarHBondContact O-CD 3.34Å; S33-E71 WeakPolarHBondContact CB-OE2 3.28Å; S33-E71 WeakPolarHBondContact O-CB 3.46Å; S33-E71 PolarHBondContact O-N 2.87Å; S33-E71 PolarHBondContact OG-OE2 2.86Å
34	Q	82.8	Confident	89.3	Confident	122 Å²	122	60.8 Å²	60.8	57%	0.57	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.3	178.2	-66.3	-70.3	-43.2	0	0	114.3	K32 S36 E71	K32-Q34 PolarHBondContact O-N 2.75Å; K32-Q34 VanDerWaalsContact O-N 3.12Å; Q34-S36 PolarHBondContact O-N 2.79Å; Q34-E71 PolarHBondContact NE2-OE1 3.07Å; Q34-E71 PolarHBondContact NE2-OE2 3.18Å
35	T	86.3	Confident	89.5	Confident	25 Å²	25	58.5 Å²	58.5	15%	0.153	28%	0.284	C	S	.	.	S	Bend	trans	-72.7	132.2	-179.2	-55	0	0	0	0	109.8	V31 K32 M37 K39 P70	V31-T35 HydrophobicContact CB-CG2 4.46Å; K32-T35 WeakPolarHBondContact CA-OG1 3.42Å; K32-T35 VanDerWaalsContact CB-OG1 3.26Å; K32-T35 WeakPolarHBondContact CB-OG1 3.39Å; K32-T35 PolarHBondContact N-OG1 3.44Å; K32-T35 VanDerWaalsContact O-CB 3.26Å; K32-T35 WeakPolarHBondContact O-CB 3.49Å; K32-T35 PolarHBondContact O-N 2.97Å; K32-T35 PolarHBondContact O-OG1 2.8Å; K32-T35 VanDerWaalsContact O-OG1 3.08Å; T35-M37 PolarHBondContact O-N 2.75Å; T35-K39 HydrophobicContact CG2-CB 4.29Å; T35-K39 HydrophobicContact CG2-CD 3.85Å; T35-P70 WeakPolarHBondContact O-CD 3.29Å
36	S	89.8	Confident	89.6	Confident	34 Å²	34	58.8 Å²	58.8	24%	0.238	29%	0.293	C	S	.	.			trans	-58	135.9	171.7	159.3	0	0	0	0	111.5	Q34 E38 K39 D66	Q34-S36 PolarHBondContact O-N 2.79Å; S36-E38 PolarHBondContact O-N 2.89Å; S36-E38 WeakPolarHBondContact OG-CB 3.31Å; S36-E38 PolarHBondContact OG-N 2.82Å; S36-E38 VanDerWaalsContact OG-N 3.07Å; S36-K39 PolarHBondContact O-N 3.15Å; S36-D66 PolarHBondContact OG-O 2.96Å
37	M	90.1	Very high	89.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-19.1	175.5	-72.1	-56.6	-61.9	0	0	112.4	I17 T35 K39 V40 K41 I64 M68 P70 L73 L75 I81	I17-M37 HydrophobicContact CD1-CE 4.3Å; T35-M37 PolarHBondContact O-N 2.75Å; M37-K39 VanDerWaalsContact C-N 3.25Å; M37-K39 PolarHBondContact O-N 3.44Å; M37-V40 HydrophobicContact CE-CB 4.05Å; M37-V40 HydrophobicContact CE-CG1 4.13Å; M37-V40 HydrophobicContact CE-CG2 4.13Å; M37-V40 WeakPolarHBondContact O-CB 3.43Å; M37-V40 PolarHBondContact O-N 3.3Å; M37-V40 VanDerWaalsContact O-N 3.15Å; M37-V40 HydrophobicContact SD-CG2 4.14Å; M37-K41 VanDerWaalsContact O-CG 3.29Å; M37-K41 WeakPolarHBondContact O-CG 3.39Å; M37-K41 PolarHBondContact O-N 3.49Å; M37-I64 HydrophobicContact CB-CG2 3.58Å; M37-I64 HydrophobicContact CE-CD1 4.01Å; M37-I64 HydrophobicContact CE-CG2 4.05Å; M37-I64 HydrophobicContact CG-CG2 3.67Å; M37-M68 WeakPolarHBondContact CB-O 3.3Å; M37-M68 HydrophobicContact CG-CB 4.38Å; M37-M68 VanDerWaalsContact CG-O 3.28Å; M37-M68 WeakPolarHBondContact CG-O 3.45Å; M37-M68 PolarHBondContact N-O 3.15Å; M37-P70 HydrophobicContact SD-CG 3.73Å; M37-L73 HydrophobicContact CG-CD1 4.03Å; M37-L73 HydrophobicContact SD-CD1 4.44Å; M37-L75 HydrophobicContact CE-CD1 4.39Å; M37-L75 HydrophobicContact SD-CD1 4.17Å; M37-I81 HydrophobicContact CE-CD1 3.37Å
38	E	91.3	Very high	89.4	Confident	62 Å²	62	64.3 Å²	64.3	29%	0.29	31%	0.306	S	S	.	.	H	α-helix	trans	-51.7	-45.1	172	-167.7	-168.9	-169.5	0	0	111.9	S36 V40 K41 R42 D66	S36-E38 PolarHBondContact O-N 2.89Å; S36-E38 WeakPolarHBondContact OG-CB 3.31Å; S36-E38 PolarHBondContact OG-N 2.82Å; S36-E38 VanDerWaalsContact OG-N 3.07Å; E38-V40 PolarHBondContact O-N 2.95Å; E38-K41 PolarHBondContact O-N 3.31Å; E38-R42 HydrophobicContact CG-CG 4.33Å; E38-R42 WeakPolarHBondContact O-CB 3.21Å; E38-R42 WeakPolarHBondContact O-CG 3.34Å; E38-R42 PolarHBondContact O-N 3.03Å; E38-R42 IonicContact OE1-CZ 2.65Å; E38-R42 IonicContact OE1-NE 2.88Å; E38-R42 PolarHBondContact OE1-NE 2.98Å; E38-R42 IonicContact OE1-NH2 2.91Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; E38-D66 HydrophobicContact CB-CB 3.84Å; E38-D66 HydrophobicContact CG-CB 4.02Å
39	K	89	Confident	89.2	Confident	101 Å²	101	69.7 Å²	69.7	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-43.5	-179.8	-68	-178.7	-175.2	170.6	0	111	D6 T35 S36 M37 T43	D6-K39 IonicContact OD2-NZ 3.09Å; D6-K39 PolarHBondContact OD2-NZ 3.02Å; T35-K39 HydrophobicContact CG2-CB 4.29Å; T35-K39 HydrophobicContact CG2-CD 3.85Å; S36-K39 PolarHBondContact O-N 3.15Å; M37-K39 VanDerWaalsContact C-N 3.25Å; M37-K39 PolarHBondContact O-N 3.44Å; K39-T43 WeakPolarHBondContact O-CB 3.34Å; K39-T43 PolarHBondContact O-N 3.16Å; K39-T43 PolarHBondContact O-OG1 3.45Å
40	V	90	Very high	89.1	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-50.7	176.6	179	0	0	0	0	109.9	I17 V19 F29 V31 M37 E38 T43 Y44	I17-V40 HydrophobicContact CD1-CB 4.33Å; I17-V40 HydrophobicContact CD1-CG1 3.69Å; I17-V40 HydrophobicContact CD1-CG2 3.69Å; V19-V40 HydrophobicContact CG2-CG1 4Å; F29-V40 HydrophobicContact CD2-CG1 4.16Å; V31-V40 HydrophobicContact CB-CG2 4.44Å; V31-V40 HydrophobicContact CG1-CG2 3.66Å; V31-V40 HydrophobicContact CG2-CG2 4.26Å; M37-V40 HydrophobicContact CE-CB 4.05Å; M37-V40 HydrophobicContact CE-CG1 4.13Å; M37-V40 HydrophobicContact CE-CG2 4.13Å; M37-V40 WeakPolarHBondContact O-CB 3.43Å; M37-V40 PolarHBondContact O-N 3.3Å; M37-V40 VanDerWaalsContact O-N 3.15Å; M37-V40 HydrophobicContact SD-CG2 4.14Å; E38-V40 PolarHBondContact O-N 2.95Å; V40-T43 PolarHBondContact O-N 3.14Å; V40-Y44 WeakPolarHBondContact O-CB 3.42Å; V40-Y44 PolarHBondContact O-N 2.92Å
41	K	91.3	Very high	89	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.078	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-46.1	-176.3	-62.2	176.1	178.1	174.2	0	112.5	M37 E38 T43 Y44 A45 L52 F57 I64 T65	M37-K41 VanDerWaalsContact O-CG 3.29Å; M37-K41 WeakPolarHBondContact O-CG 3.39Å; M37-K41 PolarHBondContact O-N 3.49Å; E38-K41 PolarHBondContact O-N 3.31Å; K41-T43 VanDerWaalsContact C-N 3.3Å; K41-T43 PolarHBondContact O-N 3.29Å; K41-Y44 PolarHBondContact O-N 3.44Å; K41-A45 VanDerWaalsContact O-CB 3.28Å; K41-A45 WeakPolarHBondContact O-CB 3.25Å; K41-A45 PolarHBondContact O-N 2.75Å; K41-L52 HydrophobicContact CB-CD1 3.43Å; K41-L52 VanDerWaalsContact CB-CD1 3.43Å; K41-L52 HydrophobicContact CD-CD1 4.18Å; K41-L52 HydrophobicContact CG-CD1 4.36Å; K41-F57 HydrophobicContact CB-CD2 4.09Å; K41-F57 HydrophobicContact CB-CE1 4.11Å; K41-F57 HydrophobicContact CB-CE2 3.66Å; K41-F57 HydrophobicContact CB-CZ 3.67Å; K41-F57 HydrophobicContact CD-CD2 3.86Å; K41-F57 HydrophobicContact CD-CE2 4.22Å; K41-F57 HydrophobicContact CD-CG 4.22Å; K41-F57 HydrophobicContact CG-CB 4.41Å; K41-F57 HydrophobicContact CG-CD1 3.87Å; K41-F57 HydrophobicContact CG-CD2 3.59Å; K41-F57 HydrophobicContact CG-CE1 3.96Å; K41-F57 HydrophobicContact CG-CE2 3.71Å; K41-F57 HydrophobicContact CG-CG 3.69Å; K41-F57 HydrophobicContact CG-CZ 3.89Å; K41-I64 VanDerWaalsContact CE-O 3.26Å; K41-I64 WeakPolarHBondContact CE-O 3.26Å; K41-I64 PolarHBondContact NZ-O 2.74Å; K41-T65 VanDerWaalsContact NZ-CA 3.32Å; K41-T65 PolarHBondContact NZ-O 2.82Å
42	R	91.4	Very high	89.1	Confident	150 Å²	150	67 Å²	67	57%	0.566	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-42.2	176.4	-74.9	-176.8	179.2	-143	4.2	111.3	E38 A45 S46 L52	E38-R42 HydrophobicContact CG-CG 4.33Å; E38-R42 WeakPolarHBondContact O-CB 3.21Å; E38-R42 WeakPolarHBondContact O-CG 3.34Å; E38-R42 PolarHBondContact O-N 3.03Å; E38-R42 IonicContact OE1-CZ 2.65Å; E38-R42 IonicContact OE1-NE 2.88Å; E38-R42 PolarHBondContact OE1-NE 2.98Å; E38-R42 IonicContact OE1-NH2 2.91Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; R42-A45 PolarHBondContact O-N 2.78Å; R42-S46 WeakPolarHBondContact O-CB 3.48Å; R42-S46 PolarHBondContact O-N 3.06Å; R42-L52 HydrophobicContact CG-CD2 3.97Å
43	T	91	Very high	89.1	Confident	62 Å²	62	70.5 Å²	70.5	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-44.4	178.3	-50.2	0	0	0	0	110.8	F29 K39 V40 K41 S46 R47	F29-T43 HydrophobicContact CD1-CG2 4.14Å; F29-T43 HydrophobicContact CE1-CG2 3.44Å; F29-T43 VanDerWaalsContact CE1-CG2 3.44Å; F29-T43 HydrophobicContact CZ-CG2 4.28Å; K39-T43 WeakPolarHBondContact O-CB 3.34Å; K39-T43 PolarHBondContact O-N 3.16Å; K39-T43 PolarHBondContact O-OG1 3.45Å; V40-T43 PolarHBondContact O-N 3.14Å; K41-T43 VanDerWaalsContact C-N 3.3Å; K41-T43 PolarHBondContact O-N 3.29Å; T43-S46 PolarHBondContact O-N 2.81Å; T43-R47 VanDerWaalsContact O-CG 3.25Å; T43-R47 WeakPolarHBondContact O-CG 3.5Å; T43-R47 PolarHBondContact O-N 3.16Å
44	Y	92.2	Very high	89.3	Confident	3 Å²	3	71 Å²	71	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-47.8	175.8	-177.7	-92.6	0	0	0	112.4	V19 N21 V27 F29 V40 K41 S46 R47 M48 L55 F57 V83	V19-Y44 HydrophobicContact CB-CD2 3.78Å; V19-Y44 HydrophobicContact CB-CE2 4.03Å; V19-Y44 HydrophobicContact CB-CG 4.49Å; V19-Y44 HydrophobicContact CG1-CD1 4.25Å; V19-Y44 HydrophobicContact CG1-CD2 3.37Å; V19-Y44 HydrophobicContact CG1-CE1 4.4Å; V19-Y44 HydrophobicContact CG1-CE2 3.53Å; V19-Y44 HydrophobicContact CG1-CG 3.74Å; N21-Y44 WeakPolarHBondContact CB-OH 3.49Å; V27-Y44 HydrophobicContact CB-CD2 4.12Å; V27-Y44 HydrophobicContact CB-CE2 4.22Å; V27-Y44 HydrophobicContact CG2-CD2 4.06Å; V27-Y44 HydrophobicContact CG2-CE2 3.81Å; F29-Y44 HydrophobicContact CE2-CD2 4.02Å; F29-Y44 HydrophobicContact CZ-CD2 4.28Å; V40-Y44 WeakPolarHBondContact O-CB 3.42Å; V40-Y44 PolarHBondContact O-N 2.92Å; K41-Y44 PolarHBondContact O-N 3.44Å; Y44-S46 VanDerWaalsContact C-N 3.29Å; Y44-S46 PolarHBondContact O-N 3.01Å; Y44-R47 WeakPolarHBondContact O-CB 3.5Å; Y44-R47 PolarHBondContact O-N 2.73Å; Y44-M48 HydrophobicContact CD1-CG 3.98Å; Y44-M48 HydrophobicContact CD2-CG 4.48Å; Y44-M48 HydrophobicContact CE1-CG 3.46Å; Y44-M48 VanDerWaalsContact CE1-CG 3.46Å; Y44-M48 HydrophobicContact CE2-CG 4.04Å; Y44-M48 HydrophobicContact CE2-SD 4.26Å; Y44-M48 HydrophobicContact CG-CG 4.46Å; Y44-M48 VanDerWaalsContact CZ-CG 3.49Å; Y44-M48 WeakPolarHBondContact O-CG 3.28Å; Y44-M48 PolarHBondContact O-N 2.73Å; Y44-L55 HydrophobicContact CD1-CD1 3.91Å; Y44-L55 HydrophobicContact CE1-CD1 4.07Å; Y44-F57 AromaticContact CD1-CE1 3.84Å; Y44-F57 HydrophobicContact CD1-CE1 3.84Å; Y44-F57 AromaticContact CD1-CZ 3.62Å; Y44-F57 HydrophobicContact CD1-CZ 3.62Å; Y44-F57 HydrophobicContact CG-CE1 4Å; Y44-F57 HydrophobicContact CG-CZ 4.1Å; Y44-V83 HydrophobicContact CD1-CG1 4.35Å; Y44-V83 HydrophobicContact CD1-CG2 4.29Å; Y44-V83 HydrophobicContact CE1-CB 4.03Å; Y44-V83 HydrophobicContact CE1-CG1 3.74Å; Y44-V83 HydrophobicContact CE1-CG2 3.98Å
45	A	91	Very high	89.7	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-44.5	176.4	0	0	0	0	0	111.6	K41 R42 R47 M48 Q49 L50 L52 L55	K41-A45 VanDerWaalsContact O-CB 3.28Å; K41-A45 WeakPolarHBondContact O-CB 3.25Å; K41-A45 PolarHBondContact O-N 2.75Å; R42-A45 PolarHBondContact O-N 2.78Å; A45-R47 PolarHBondContact O-N 3.48Å; A45-M48 CarbonylContact O-C 3.46Å; A45-M48 PolarHBondContact O-N 3.48Å; A45-Q49 PolarHBondContact O-N 2.83Å; A45-L50 CarbonylContact C-O 3.54Å; A45-L50 WeakPolarHBondContact CB-O 3.33Å; A45-L50 PolarHBondContact O-N 3.34Å; A45-L52 HydrophobicContact CB-CB 4.1Å; A45-L52 HydrophobicContact CB-CD1 4.37Å; A45-L55 HydrophobicContact CB-CD1 3.87Å
46	S	90.8	Very high	89.9	Confident	92 Å²	92	69.9 Å²	69.9	64%	0.643	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-39.4	174.9	179.1	0	0	0	0	113	R42 T43 Y44 Q49	R42-S46 WeakPolarHBondContact O-CB 3.48Å; R42-S46 PolarHBondContact O-N 3.06Å; T43-S46 PolarHBondContact O-N 2.81Å; Y44-S46 VanDerWaalsContact C-N 3.29Å; Y44-S46 PolarHBondContact O-N 3.01Å; S46-Q49 PolarHBondContact O-N 2.92Å
47	R	88.4	Confident	90	Very high	184 Å²	184	68.5 Å²	68.5	69%	0.694	33%	0.328	S	S	*	.	H	α-helix	trans	-65.2	-39.5	175.6	-70.8	-72.4	-173.1	178.7	1.9	112.4	T43 Y44 A45 Q49	T43-R47 VanDerWaalsContact O-CG 3.25Å; T43-R47 WeakPolarHBondContact O-CG 3.5Å; T43-R47 PolarHBondContact O-N 3.16Å; Y44-R47 WeakPolarHBondContact O-CB 3.5Å; Y44-R47 PolarHBondContact O-N 2.73Å; A45-R47 PolarHBondContact O-N 3.48Å; R47-Q49 VanDerWaalsContact C-N 3.28Å
48	M	88.5	Confident	90.2	Very high	58 Å²	58	69.8 Å²	69.8	29%	0.286	33%	0.334	S	S	.	.	H	α-helix	trans	-81.8	-7.2	178.1	-59.9	-54.6	-68.1	0	0	113	Y44 A45 L50	Y44-M48 HydrophobicContact CD1-CG 3.98Å; Y44-M48 HydrophobicContact CD2-CG 4.48Å; Y44-M48 HydrophobicContact CE1-CG 3.46Å; Y44-M48 VanDerWaalsContact CE1-CG 3.46Å; Y44-M48 HydrophobicContact CE2-CG 4.04Å; Y44-M48 HydrophobicContact CE2-SD 4.26Å; Y44-M48 HydrophobicContact CG-CG 4.46Å; Y44-M48 VanDerWaalsContact CZ-CG 3.49Å; Y44-M48 WeakPolarHBondContact O-CG 3.28Å; Y44-M48 PolarHBondContact O-N 2.73Å; A45-M48 CarbonylContact O-C 3.46Å; A45-M48 PolarHBondContact O-N 3.48Å; M48-L50 HydrophobicContact CB-CB 4.35Å; M48-L50 HydrophobicContact CB-CD1 4.04Å; M48-L50 HydrophobicContact CB-CG 4.19Å; M48-L50 PolarHBondContact O-N 2.91Å
49	Q	89.5	Confident	90.2	Very high	180 Å²	180	67.3 Å²	67.3	84%	0.841	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	35.1	-172.1	-56.2	-177.5	-2.7	0	0	112.9	A45 S46 R47	A45-Q49 PolarHBondContact O-N 2.83Å; S46-Q49 PolarHBondContact O-N 2.92Å; R47-Q49 VanDerWaalsContact C-N 3.28Å
50	L	88.7	Confident	90.2	Very high	51 Å²	51	69.3 Å²	69.3	27%	0.267	33%	0.333	S	S	.	.			trans	-116	147.2	179.8	-69.4	171.9	0	0	0	110	A45 M48 L52 L55 Q85	A45-L50 CarbonylContact C-O 3.54Å; A45-L50 WeakPolarHBondContact CB-O 3.33Å; A45-L50 PolarHBondContact O-N 3.34Å; M48-L50 HydrophobicContact CB-CB 4.35Å; M48-L50 HydrophobicContact CB-CD1 4.04Å; M48-L50 HydrophobicContact CB-CG 4.19Å; M48-L50 PolarHBondContact O-N 2.91Å; L50-L52 PolarHBondContact O-N 2.99Å; L50-L55 HydrophobicContact CB-CD1 4.09Å; L50-L55 HydrophobicContact CB-CD2 4.4Å; L50-L55 HydrophobicContact CB-CG 4.27Å; L50-L55 HydrophobicContact CD1-CD2 3.94Å; L50-Q85 HydrophobicContact CD1-CG 4.41Å
51	P	89.3	Confident	90.1	Very high	77 Å²	77	71.9 Å²	71.9	50%	0.5	36%	0.36	S	S	.	.			trans	-65.5	136.7	174	24.8	-28.5	0	0	0	109.6	E53 S54	P51-E53 PolarHBondContact O-N 3.29Å; P51-E53 VanDerWaalsContact O-N 3.15Å; P51-S54 WeakPolarHBondContact O-CB 3.42Å; P51-S54 PolarHBondContact O-N 2.94Å
52	L	88.8	Confident	90	Very high	56 Å²	56	78.8 Å²	78.8	29%	0.293	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-55.6	-33.9	179.7	174.4	60.4	0	0	0	112.1	K41 R42 A45 L50 S54 L55 F57	K41-L52 HydrophobicContact CB-CD1 3.43Å; K41-L52 VanDerWaalsContact CB-CD1 3.43Å; K41-L52 HydrophobicContact CD-CD1 4.18Å; K41-L52 HydrophobicContact CG-CD1 4.36Å; R42-L52 HydrophobicContact CG-CD2 3.97Å; A45-L52 HydrophobicContact CB-CB 4.1Å; A45-L52 HydrophobicContact CB-CD1 4.37Å; L50-L52 PolarHBondContact O-N 2.99Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.44Å; L52-F57 HydrophobicContact CD1-CD2 4.5Å; L52-F57 HydrophobicContact CD1-CE2 3.71Å; L52-F57 HydrophobicContact CD1-CZ 4.41Å
53	E	87.3	Confident	90	Very high	179 Å²	179	80.3 Å²	80.3	84%	0.836	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-66.9	-28.7	179.6	-63.5	169.5	100.7	0	0	112.6	P51 L55	P51-E53 PolarHBondContact O-N 3.29Å; P51-E53 VanDerWaalsContact O-N 3.15Å; E53-L55 PolarHBondContact O-N 3.42Å
54	S	88	Confident	90	Very high	29 Å²	29	77.5 Å²	77.5	20%	0.203	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-82.4	0.1	173.5	-173.6	0	0	0	0	112.2	P51 L52 Q85 V86	P51-S54 WeakPolarHBondContact O-CB 3.42Å; P51-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 3.44Å; S54-Q85 CarbonylContact O-C 3.51Å; S54-Q85 WeakPolarHBondContact O-CA 3.26Å; S54-V86 PolarHBondContact O-N 2.91Å
55	L	90.2	Very high	89.9	Confident	13 Å²	13	80 Å²	80	7%	0.068	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	179.5	-62.9	177	0	0	0	111.3	Y44 A45 L50 L52 E53 F57 V83 Q85	Y44-L55 HydrophobicContact CD1-CD1 3.91Å; Y44-L55 HydrophobicContact CE1-CD1 4.07Å; A45-L55 HydrophobicContact CB-CD1 3.87Å; L50-L55 HydrophobicContact CB-CD1 4.09Å; L50-L55 HydrophobicContact CB-CD2 4.4Å; L50-L55 HydrophobicContact CB-CG 4.27Å; L50-L55 HydrophobicContact CD1-CD2 3.94Å; L52-L55 PolarHBondContact O-N 3.44Å; E53-L55 PolarHBondContact O-N 3.42Å; L55-F57 HydrophobicContact CB-CD2 4.41Å; L55-F57 HydrophobicContact CB-CE2 3.71Å; L55-F57 HydrophobicContact CB-CZ 4.39Å; L55-F57 HydrophobicContact CD1-CZ 4.48Å; L55-V83 HydrophobicContact CB-CG1 4.08Å; L55-V83 HydrophobicContact CD2-CG1 3.91Å; L55-V83 HydrophobicContact CG-CG1 4.44Å; L55-Q85 HydrophobicContact CD2-CG 3.87Å
56	R	90.8	Very high	89.8	Confident	112 Å²	112	83.5 Å²	83.5	42%	0.423	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.6	177.8	173.7	178.5	151.1	160.9	-2.4	109.5	Q58 V83 Y84 V86	R56-Q58 HydrophobicContact CG-CG 4.42Å; R56-Q58 VanDerWaalsContact CZ-OE1 3.25Å; R56-Q58 VanDerWaalsContact NH2-NE2 3.13Å; R56-V83 WeakPolarHBondContact O-CA 3.36Å; R56-Y84 PolarHBondContact N-O 3.2Å; R56-Y84 PolarHBondContact O-N 2.99Å; R56-V86 HydrophobicContact CB-CG2 4.13Å
57	F	92.8	Very high	89.6	Confident	5 Å²	5	85.7 Å²	85.7	2%	0.022	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.9	178.5	-64.1	-107	0	0	0	110.2	V19 K41 Y44 L52 L55 I64 I81 E82 V83	V19-F57 HydrophobicContact CG1-CD1 4.26Å; V19-F57 HydrophobicContact CG1-CE1 3.92Å; K41-F57 HydrophobicContact CB-CD2 4.09Å; K41-F57 HydrophobicContact CB-CE1 4.11Å; K41-F57 HydrophobicContact CB-CE2 3.66Å; K41-F57 HydrophobicContact CB-CZ 3.67Å; K41-F57 HydrophobicContact CD-CD2 3.86Å; K41-F57 HydrophobicContact CD-CE2 4.22Å; K41-F57 HydrophobicContact CD-CG 4.22Å; K41-F57 HydrophobicContact CG-CB 4.41Å; K41-F57 HydrophobicContact CG-CD1 3.87Å; K41-F57 HydrophobicContact CG-CD2 3.59Å; K41-F57 HydrophobicContact CG-CE1 3.96Å; K41-F57 HydrophobicContact CG-CE2 3.71Å; K41-F57 HydrophobicContact CG-CG 3.69Å; K41-F57 HydrophobicContact CG-CZ 3.89Å; Y44-F57 AromaticContact CD1-CE1 3.84Å; Y44-F57 HydrophobicContact CD1-CE1 3.84Å; Y44-F57 AromaticContact CD1-CZ 3.62Å; Y44-F57 HydrophobicContact CD1-CZ 3.62Å; Y44-F57 HydrophobicContact CG-CE1 4Å; Y44-F57 HydrophobicContact CG-CZ 4.1Å; L52-F57 HydrophobicContact CD1-CD2 4.5Å; L52-F57 HydrophobicContact CD1-CE2 3.71Å; L52-F57 HydrophobicContact CD1-CZ 4.41Å; L55-F57 HydrophobicContact CB-CD2 4.41Å; L55-F57 HydrophobicContact CB-CE2 3.71Å; L55-F57 HydrophobicContact CB-CZ 4.39Å; L55-F57 HydrophobicContact CD1-CZ 4.48Å; F57-I64 HydrophobicContact CB-CB 4.15Å; F57-I64 HydrophobicContact CB-CD1 4.35Å; F57-I64 PolarHBondContact O-N 3.49Å; F57-I81 HydrophobicContact CB-CG2 4.36Å; F57-I81 HydrophobicContact CD1-CG2 4.19Å; F57-E82 CarbonylContact C-O 3.5Å; F57-E82 WeakPolarHBondContact CA-O 3.19Å; F57-V83 HydrophobicContact CD1-CG2 3.41Å; F57-V83 VanDerWaalsContact CD1-CG2 3.41Å; F57-V83 HydrophobicContact CE1-CG2 3.5Å; F57-V83 VanDerWaalsContact CE1-CG2 3.5Å; F57-V83 HydrophobicContact CE2-CG1 4.5Å; F57-V83 HydrophobicContact CG-CG2 4.06Å; F57-V83 HydrophobicContact CZ-CG1 4.42Å; F57-V83 HydrophobicContact CZ-CG2 4.19Å
58	Q	93.4	Very high	89.6	Confident	26 Å²	26	79 Å²	79	12%	0.121	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.9	177.2	-74.7	-175.7	-97.2	0	0	111.5	R56 G61 R62 I81 E82 Y84	R56-Q58 HydrophobicContact CG-CG 4.42Å; R56-Q58 VanDerWaalsContact CZ-OE1 3.25Å; R56-Q58 VanDerWaalsContact NH2-NE2 3.13Å; Q58-G61 PolarHBondContact NE2-O 3.48Å; Q58-G61 VanDerWaalsContact NE2-O 3.16Å; Q58-R62 CarbonylContact C-O 3.5Å; Q58-R62 WeakPolarHBondContact CA-O 3.39Å; Q58-I81 WeakPolarHBondContact O-CG2 3.35Å; Q58-E82 PolarHBondContact N-O 2.88Å; Q58-E82 PolarHBondContact O-N 2.73Å; Q58-Y84 HydrophobicContact CB-CE2 4.32Å
59	Y	92.3	Very high	89.7	Confident	11 Å²	11	77.8 Å²	77.8	4%	0.043	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.8	173.8	172.2	-105	0	0	0	108.7	G61 R62 L73 L75 E79 T80 I81	Y59-G61 PolarHBondContact O-N 3.36Å; Y59-G61 VanDerWaalsContact O-N 3.16Å; Y59-R62 PolarHBondContact N-O 3.33Å; Y59-R62 WeakPolarHBondContact O-CA 3.5Å; Y59-R62 VanDerWaalsContact O-CB 3.3Å; Y59-R62 WeakPolarHBondContact O-CB 3.28Å; Y59-R62 PolarHBondContact O-N 3.36Å; Y59-L73 HydrophobicContact CD1-CB 4.42Å; Y59-L73 WeakPolarHBondContact CE1-O 3.39Å; Y59-L75 HydrophobicContact CD1-CD2 3.72Å; Y59-L75 HydrophobicContact CD2-CD2 3.49Å; Y59-L75 VanDerWaalsContact CD2-CD2 3.49Å; Y59-L75 HydrophobicContact CE1-CD2 3.55Å; Y59-L75 HydrophobicContact CE2-CD2 3.3Å; Y59-L75 HydrophobicContact CG-CD2 3.69Å; Y59-E79 HydrophobicContact CE2-CB 4.28Å; Y59-E79 HydrophobicContact CE2-CG 4.49Å; Y59-E79 PolarHBondContact OH-OE2 3.41Å; Y59-T80 VanDerWaalsContact CD2-O 3.31Å; Y59-T80 WeakPolarHBondContact CD2-O 3.32Å; Y59-I81 HydrophobicContact CD2-CG1 4.32Å
60	E	89.1	Confident	89.5	Confident	143 Å²	143	69.2 Å²	69.2	67%	0.668	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	41	-175.8	-60.3	-172.9	97.1	0	0	112.6	R62	E60-R62 PolarHBondContact O-N 3.46Å; E60-R62 VanDerWaalsContact O-N 3.14Å
61	G	87	Confident	89.4	Confident	56 Å²	56	71.6 Å²	71.6	58%	0.577	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-11.8	-175.6	0	0	0	0	0	115.5	Q58 Y59	Q58-G61 PolarHBondContact NE2-O 3.48Å; Q58-G61 VanDerWaalsContact NE2-O 3.16Å; Y59-G61 PolarHBondContact O-N 3.36Å; Y59-G61 VanDerWaalsContact O-N 3.16Å
62	R	90	Very high	89.4	Confident	163 Å²	163	71.5 Å²	71.5	62%	0.615	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	133.3	177.6	-59.8	-178.1	176.4	-165	-2.3	111	Q58 Y59 E60 I64	Q58-R62 CarbonylContact C-O 3.5Å; Q58-R62 WeakPolarHBondContact CA-O 3.39Å; Y59-R62 PolarHBondContact N-O 3.33Å; Y59-R62 WeakPolarHBondContact O-CA 3.5Å; Y59-R62 VanDerWaalsContact O-CB 3.3Å; Y59-R62 WeakPolarHBondContact O-CB 3.28Å; Y59-R62 PolarHBondContact O-N 3.36Å; E60-R62 PolarHBondContact O-N 3.46Å; E60-R62 VanDerWaalsContact O-N 3.14Å; R62-I64 PolarHBondContact O-N 2.69Å
63	R	90.6	Very high	89.4	Confident	182 Å²	182	69 Å²	69	69%	0.687	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.2	171.9	-175.7	178.3	-177.8	178.3	1	109.3
64	I	92.2	Very high	89.4	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-83.5	125	175.9	-56.4	-178.9	0	0	0	108	M37 K41 F57 R62 L73 I81	M37-I64 HydrophobicContact CB-CG2 3.58Å; M37-I64 HydrophobicContact CE-CD1 4.01Å; M37-I64 HydrophobicContact CE-CG2 4.05Å; M37-I64 HydrophobicContact CG-CG2 3.67Å; K41-I64 VanDerWaalsContact CE-O 3.26Å; K41-I64 WeakPolarHBondContact CE-O 3.26Å; K41-I64 PolarHBondContact NZ-O 2.74Å; F57-I64 HydrophobicContact CB-CB 4.15Å; F57-I64 HydrophobicContact CB-CD1 4.35Å; F57-I64 PolarHBondContact O-N 3.49Å; R62-I64 PolarHBondContact O-N 2.69Å; I64-L73 HydrophobicContact CD1-CD1 3.98Å; I64-L73 HydrophobicContact CG1-CD1 3.92Å; I64-L73 HydrophobicContact CG2-CD1 4Å; I64-I81 HydrophobicContact CD1-CD1 3.89Å; I64-I81 HydrophobicContact CD1-CG1 4.15Å; I64-I81 HydrophobicContact CD1-CG2 3.67Å
65	T	89.6	Confident	89.4	Confident	55 Å²	55	67.7 Å²	67.7	34%	0.337	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-97.1	167.9	168.9	61.7	0	0	0	0	110.8	K41 M68	K41-T65 VanDerWaalsContact NZ-CA 3.32Å; K41-T65 PolarHBondContact NZ-O 2.82Å; T65-M68 PolarHBondContact N-SD 3.44Å; T65-M68 PolarHBondContact O-N 3.1Å; T65-M68 WeakPolarHBondContact OG1-CG 3.43Å
66	D	87.7	Confident	89.3	Confident	80 Å²	80	73.4 Å²	73.4	43%	0.428	36%	0.358	S	S	.	.	S	Bend	trans	-65.8	-35	177.8	40.3	-49.7	0	0	0	112.6	S36 E38 M68	S36-D66 PolarHBondContact OG-O 2.96Å; E38-D66 HydrophobicContact CB-CB 3.84Å; E38-D66 HydrophobicContact CG-CB 4.02Å; D66-M68 PolarHBondContact O-N 3.27Å
67	D	86.7	Confident	89.3	Confident	138 Å²	138	72.6 Å²	72.6	74%	0.738	36%	0.362	S	S	*	.	S	Bend	trans	-73.8	-10.6	176.6	-48.9	-77.6	0	0	0	114.1
68	M	90	Very high	89	Confident	44 Å²	44	77.2 Å²	77.2	22%	0.217	39%	0.387	C	S	.	.			trans	-77	149.2	-179.4	-72.1	178.6	115.4	0	0	111.8	M37 T65 D66 L73	M37-M68 WeakPolarHBondContact CB-O 3.3Å; M37-M68 HydrophobicContact CG-CB 4.38Å; M37-M68 VanDerWaalsContact CG-O 3.28Å; M37-M68 WeakPolarHBondContact CG-O 3.45Å; M37-M68 PolarHBondContact N-O 3.15Å; T65-M68 PolarHBondContact N-SD 3.44Å; T65-M68 PolarHBondContact O-N 3.1Å; T65-M68 WeakPolarHBondContact OG1-CG 3.43Å; D66-M68 PolarHBondContact O-N 3.27Å; M68-L73 HydrophobicContact CB-CD1 4.42Å; M68-L73 HydrophobicContact CB-CG 4.5Å; M68-L73 HydrophobicContact CE-CD2 3.47Å; M68-L73 VanDerWaalsContact CE-CD2 3.47Å; M68-L73 HydrophobicContact CE-CG 4.27Å; M68-L73 HydrophobicContact SD-CD2 3.92Å; M68-L73 HydrophobicContact SD-CG 4.48Å
69	T	88.9	Confident	89	Confident	31 Å²	31	78.6 Å²	78.6	19%	0.19	39%	0.393	C	S	.	.			trans	-112.6	152.1	172	59.2	0	0	0	0	110.5	E71 S72 L73	T69-E71 PolarHBondContact O-N 3.29Å; T69-S72 WeakPolarHBondContact O-CB 3.37Å; T69-S72 PolarHBondContact O-N 2.65Å; T69-S72 VanDerWaalsContact O-N 3.09Å; T69-S72 WeakPolarHBondContact OG1-CB 3.41Å; T69-S72 PolarHBondContact OG1-N 3.28Å; T69-L73 PolarHBondContact O-N 3Å
70	P	86.7	Confident	89	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.3	171.4	-24.8	28.6	0	0	0	113	I15 V31 S33 T35 M37 L73 K74 L75	I15-P70 HydrophobicContact CD1-CB 3.63Å; V31-P70 HydrophobicContact CG2-CG 4.01Å; S33-P70 VanDerWaalsContact O-CD 3.29Å; S33-P70 WeakPolarHBondContact O-CD 3.34Å; T35-P70 WeakPolarHBondContact O-CD 3.29Å; M37-P70 HydrophobicContact SD-CG 3.73Å; P70-L73 CarbonylContact O-C 3.57Å; P70-L73 PolarHBondContact O-N 2.82Å; P70-K74 PolarHBondContact O-N 3Å; P70-L75 HydrophobicContact CB-CB 3.92Å; P70-L75 HydrophobicContact CB-CD1 3.91Å; P70-L75 HydrophobicContact CB-CG 4.32Å; P70-L75 PolarHBondContact O-N 3.09Å
71	E	87	Confident	89.2	Confident	101 Å²	101	74.2 Å²	74.2	47%	0.472	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43	176.9	-163.7	167.7	140.7	0	0	112.9	S33 Q34 T69 L73 K74	S33-E71 WeakPolarHBondContact CB-OE2 3.28Å; S33-E71 WeakPolarHBondContact O-CB 3.46Å; S33-E71 PolarHBondContact O-N 2.87Å; S33-E71 PolarHBondContact OG-OE2 2.86Å; Q34-E71 PolarHBondContact NE2-OE1 3.07Å; Q34-E71 PolarHBondContact NE2-OE2 3.18Å; T69-E71 PolarHBondContact O-N 3.29Å; E71-L73 VanDerWaalsContact C-N 3.28Å; E71-L73 PolarHBondContact O-N 3.42Å; E71-K74 PolarHBondContact O-N 3.42Å
72	S	88.1	Confident	89.5	Confident	75 Å²	75	75.2 Å²	75.2	52%	0.524	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.2	175.2	178.7	0	0	0	0	112.1	T69 K74	T69-S72 WeakPolarHBondContact O-CB 3.37Å; T69-S72 PolarHBondContact O-N 2.65Å; T69-S72 VanDerWaalsContact O-N 3.09Å; T69-S72 WeakPolarHBondContact OG1-CB 3.41Å; T69-S72 PolarHBondContact OG1-N 3.28Å; S72-K74 PolarHBondContact O-N 3.31Å
73	L	88.3	Confident	89.6	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.9	173.9	-68.9	172.6	0	0	0	113.5	M37 Y59 I64 M68 T69 P70 E71 L75	M37-L73 HydrophobicContact CG-CD1 4.03Å; M37-L73 HydrophobicContact SD-CD1 4.44Å; Y59-L73 HydrophobicContact CD1-CB 4.42Å; Y59-L73 WeakPolarHBondContact CE1-O 3.39Å; I64-L73 HydrophobicContact CD1-CD1 3.98Å; I64-L73 HydrophobicContact CG1-CD1 3.92Å; I64-L73 HydrophobicContact CG2-CD1 4Å; M68-L73 HydrophobicContact CB-CD1 4.42Å; M68-L73 HydrophobicContact CB-CG 4.5Å; M68-L73 HydrophobicContact CE-CD2 3.47Å; M68-L73 VanDerWaalsContact CE-CD2 3.47Å; M68-L73 HydrophobicContact CE-CG 4.27Å; M68-L73 HydrophobicContact SD-CD2 3.92Å; M68-L73 HydrophobicContact SD-CG 4.48Å; T69-L73 PolarHBondContact O-N 3Å; P70-L73 CarbonylContact O-C 3.57Å; P70-L73 PolarHBondContact O-N 2.82Å; E71-L73 VanDerWaalsContact C-N 3.28Å; E71-L73 PolarHBondContact O-N 3.42Å; L73-L75 HydrophobicContact CB-CD1 4.35Å; L73-L75 HydrophobicContact CB-CG 3.86Å; L73-L75 HydrophobicContact CD1-CD1 4.2Å; L73-L75 PolarHBondContact O-N 2.99Å
74	K	87.5	Confident	89.6	Confident	168 Å²	168	62.3 Å²	62.3	73%	0.73	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.1	-172.5	-55.5	-177.2	179.1	-176.5	0	113.5	P70 E71 S72 Q76	P70-K74 PolarHBondContact O-N 3Å; E71-K74 PolarHBondContact O-N 3.42Å; S72-K74 PolarHBondContact O-N 3.31Å; K74-Q76 PolarHBondContact O-N 3.05Å
75	L	89.6	Confident	89.3	Confident	12 Å²	12	66 Å²	66	6%	0.063	34%	0.336	C	S	.	.			trans	-64.1	132.1	174.6	-66.4	-180	0	0	0	110.3	I15 I17 M37 Y59 P70 L73 E79 I81	I15-L75 HydrophobicContact CD1-CB 3.73Å; I15-L75 WeakPolarHBondContact CD1-O 3.36Å; I17-L75 HydrophobicContact CG2-CB 4.37Å; I17-L75 HydrophobicContact CG2-CD1 4.12Å; M37-L75 HydrophobicContact CE-CD1 4.39Å; M37-L75 HydrophobicContact SD-CD1 4.17Å; Y59-L75 HydrophobicContact CD1-CD2 3.72Å; Y59-L75 HydrophobicContact CD2-CD2 3.49Å; Y59-L75 VanDerWaalsContact CD2-CD2 3.49Å; Y59-L75 HydrophobicContact CE1-CD2 3.55Å; Y59-L75 HydrophobicContact CE2-CD2 3.3Å; Y59-L75 HydrophobicContact CG-CD2 3.69Å; P70-L75 HydrophobicContact CB-CB 3.92Å; P70-L75 HydrophobicContact CB-CD1 3.91Å; P70-L75 HydrophobicContact CB-CG 4.32Å; P70-L75 PolarHBondContact O-N 3.09Å; L73-L75 HydrophobicContact CB-CD1 4.35Å; L73-L75 HydrophobicContact CB-CG 3.86Å; L73-L75 HydrophobicContact CD1-CD1 4.2Å; L73-L75 PolarHBondContact O-N 2.99Å; L75-E79 HydrophobicContact CD2-CB 3.94Å; L75-E79 HydrophobicContact CD2-CG 4.34Å; L75-I81 HydrophobicContact CD1-CD1 3.92Å; L75-I81 HydrophobicContact CD1-CG1 4.49Å
76	Q	88.2	Confident	89	Confident	133 Å²	133	66.1 Å²	66.1	62%	0.621	34%	0.337	S	S	*	.			trans	-108.8	-179.6	176.5	-57.6	-170	-106.7	0	0	111.1	K74 N78 E79	K74-Q76 PolarHBondContact O-N 3.05Å; Q76-N78 PolarHBondContact O-N 3.25Å; Q76-E79 HydrophobicContact CB-CG 3.88Å; Q76-E79 WeakPolarHBondContact O-CB 3.29Å; Q76-E79 WeakPolarHBondContact O-CG 3.39Å; Q76-E79 PolarHBondContact O-N 2.97Å
77	N	88.8	Confident	88	Confident	95 Å²	95	71.1 Å²	71.1	51%	0.508	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	129.8	174.1	-80.8	-36.7	0	0	0	111.5	I15 V16 E79	I15-N77 WeakPolarHBondContact CA-OD1 3.47Å; I15-N77 WeakPolarHBondContact CB-OD1 3.4Å; V16-N77 PolarHBondContact N-OD1 3.23Å; V16-N77 VanDerWaalsContact N-OD1 3.1Å; N77-E79 VanDerWaalsContact C-N 3.33Å
78	N	88.5	Confident	86.8	Confident	102 Å²	102	72.1 Å²	72.1	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	19.1	-175.4	-55.1	-75.4	0	0	0	115	V16 Q76	V16-N78 WeakPolarHBondContact O-CA 3.35Å; V16-N78 PolarHBondContact O-N 3.22Å; Q76-N78 PolarHBondContact O-N 3.25Å
79	E	92.4	Very high	85.2	Confident	54 Å²	54	73.3 Å²	73.3	25%	0.252	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	153.6	174.1	-76.4	-51	138	0	0	112.9	I17 K18 Y59 L75 Q76 N77	I17-E79 CarbonylContact C-O 3.53Å; I17-E79 WeakPolarHBondContact CA-O 2.85Å; K18-E79 PolarHBondContact N-O 2.87Å; Y59-E79 HydrophobicContact CE2-CB 4.28Å; Y59-E79 HydrophobicContact CE2-CG 4.49Å; Y59-E79 PolarHBondContact OH-OE2 3.41Å; L75-E79 HydrophobicContact CD2-CB 3.94Å; L75-E79 HydrophobicContact CD2-CG 4.34Å; Q76-E79 HydrophobicContact CB-CG 3.88Å; Q76-E79 WeakPolarHBondContact O-CB 3.29Å; Q76-E79 WeakPolarHBondContact O-CG 3.39Å; Q76-E79 PolarHBondContact O-N 2.97Å; N77-E79 VanDerWaalsContact C-N 3.33Å
80	T	92.1	Very high	83.6	Confident	62 Å²	62	74.6 Å²	74.6	38%	0.38	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.9	-174.3	-59.8	0	0	0	0	111.8	K18 V20 Y59	K18-T80 CarbonylContact O-C 3.54Å; K18-T80 WeakPolarHBondContact O-CA 3.07Å; V20-T80 HydrophobicContact CB-CG2 4.17Å; V20-T80 HydrophobicContact CG2-CG2 3.35Å; Y59-T80 VanDerWaalsContact CD2-O 3.31Å; Y59-T80 WeakPolarHBondContact CD2-O 3.32Å
81	I	93.7	Very high	82.2	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.4	175.5	-62.2	177.1	0	0	0	108.1	I17 K18 V19 V20 M37 F57 Q58 Y59 I64 L75	I17-I81 HydrophobicContact CD1-CD1 3.92Å; K18-I81 PolarHBondContact O-N 3.3Å; V19-I81 CarbonylContact C-O 3.51Å; V19-I81 WeakPolarHBondContact CA-O 3.37Å; V19-I81 HydrophobicContact CG2-CB 4.34Å; V20-I81 PolarHBondContact N-O 2.65Å; M37-I81 HydrophobicContact CE-CD1 3.37Å; F57-I81 HydrophobicContact CB-CG2 4.36Å; F57-I81 HydrophobicContact CD1-CG2 4.19Å; Q58-I81 WeakPolarHBondContact O-CG2 3.35Å; Y59-I81 HydrophobicContact CD2-CG1 4.32Å; I64-I81 HydrophobicContact CD1-CD1 3.89Å; I64-I81 HydrophobicContact CD1-CG1 4.15Å; I64-I81 HydrophobicContact CD1-CG2 3.67Å; L75-I81 HydrophobicContact CD1-CD1 3.92Å; L75-I81 HydrophobicContact CD1-CG1 4.49Å
82	E	93.3	Very high	80.9	Confident	77 Å²	77	87.1 Å²	87.1	36%	0.36	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.9	177.7	-60	172.4	79.5	0	0	110.5	V20 F57 Q58 Y84	V20-E82 CarbonylContact O-C 3.56Å; V20-E82 WeakPolarHBondContact O-CA 3.26Å; F57-E82 CarbonylContact C-O 3.5Å; F57-E82 WeakPolarHBondContact CA-O 3.19Å; Q58-E82 PolarHBondContact N-O 2.88Å; Q58-E82 PolarHBondContact O-N 2.73Å; E82-Y84 HydrophobicContact CB-CD2 4.36Å; E82-Y84 HydrophobicContact CB-CE2 3.56Å; E82-Y84 PolarHBondContact OE1-OH 3.49Å
83	V	91.9	Very high	79.5	Confident	3 Å²	3	90.1 Å²	90.1	2%	0.018	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	176.2	-174.7	0	0	0	0	110.3	V19 V20 N21 Q22 Y44 L55 R56 F57	V19-V83 HydrophobicContact CG1-CB 4.45Å; V19-V83 HydrophobicContact CG1-CG2 3.19Å; V20-V83 PolarHBondContact O-N 3.08Å; N21-V83 WeakPolarHBondContact CA-O 3.41Å; Q22-V83 PolarHBondContact N-O 2.88Å; Y44-V83 HydrophobicContact CD1-CG1 4.35Å; Y44-V83 HydrophobicContact CD1-CG2 4.29Å; Y44-V83 HydrophobicContact CE1-CB 4.03Å; Y44-V83 HydrophobicContact CE1-CG1 3.74Å; Y44-V83 HydrophobicContact CE1-CG2 3.98Å; L55-V83 HydrophobicContact CB-CG1 4.08Å; L55-V83 HydrophobicContact CD2-CG1 3.91Å; L55-V83 HydrophobicContact CG-CG1 4.44Å; R56-V83 WeakPolarHBondContact O-CA 3.36Å; F57-V83 HydrophobicContact CD1-CG2 3.41Å; F57-V83 VanDerWaalsContact CD1-CG2 3.41Å; F57-V83 HydrophobicContact CE1-CG2 3.5Å; F57-V83 VanDerWaalsContact CE1-CG2 3.5Å; F57-V83 HydrophobicContact CE2-CG1 4.5Å; F57-V83 HydrophobicContact CG-CG2 4.06Å; F57-V83 HydrophobicContact CZ-CG1 4.42Å; F57-V83 HydrophobicContact CZ-CG2 4.19Å
84	Y	90.3	Very high	78.4	Confident	72 Å²	72	96.6 Å²	96.6	28%	0.282	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.5	178	-64.4	-93.4	0	0	0	108	Q22 R56 Q58 E82 V86	Q22-Y84 HydrophobicContact CG-CD1 3.74Å; Q22-Y84 HydrophobicContact CG-CE1 4.04Å; Q22-Y84 HydrophobicContact CG-CG 4.4Å; Q22-Y84 VanDerWaalsContact NE2-CD1 3.26Å; R56-Y84 PolarHBondContact N-O 3.2Å; R56-Y84 PolarHBondContact O-N 2.99Å; Q58-Y84 HydrophobicContact CB-CE2 4.32Å; E82-Y84 HydrophobicContact CB-CD2 4.36Å; E82-Y84 HydrophobicContact CB-CE2 3.56Å; E82-Y84 PolarHBondContact OE1-OH 3.49Å; Y84-V86 PolarHBondContact O-N 3.3Å
85	Q	87.1	Confident	77.2	Confident	78 Å²	78	92.4 Å²	92.4	36%	0.364	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.4	165.3	-69.4	-178.6	11	0	0	107.6	L50 S54 L55 Q87	L50-Q85 HydrophobicContact CD1-CG 4.41Å; S54-Q85 CarbonylContact O-C 3.51Å; S54-Q85 WeakPolarHBondContact O-CA 3.26Å; L55-Q85 HydrophobicContact CD2-CG 3.87Å; Q85-Q87 PolarHBondContact O-N 2.65Å
86	V	81.9	Confident	76.1	Confident	59 Å²	59	96.5 Å²	96.5	36%	0.358	52%	0.52	S	S	.	.			trans	-63.2	107.6	170.7	-176.8	0	0	0	0	105.5	S54 R56 Y84 E88	S54-V86 PolarHBondContact O-N 2.91Å; R56-V86 HydrophobicContact CB-CG2 4.13Å; Y84-V86 PolarHBondContact O-N 3.3Å; V86-E88 HydrophobicContact CG1-CG 3.86Å; V86-E88 PolarHBondContact O-N 2.84Å
87	Q	67.1	Low	74.9	Confident	185 Å²	185	99.4 Å²	99.4	86%	0.864	53%	0.527	S	S	*	.			trans	-74.1	72.5	173.2	-167	179.6	22	0	0	107.6	Q85 G89	Q85-Q87 PolarHBondContact O-N 2.65Å; Q87-G89 VanDerWaalsContact C-N 3.27Å; Q87-G89 PolarHBondContact O-N 3.12Å
88	E	61.2	Low	73.8	Confident	158 Å²	158	100 Å²	100	74%	0.738	54%	0.538	S	S	*	.			trans	-64.3	101.7	156.6	-65.8	-170.4	100.5	0	0	105	V86 G90	V86-E88 HydrophobicContact CG1-CG 3.86Å; V86-E88 PolarHBondContact O-N 2.84Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.71Å
89	G	55.7	Low	72.5	Confident	69 Å²	69	106.6 Å²	106.6	71%	0.711	57%	0.565	S	S	*	*			trans	-60	89	-178.2	0	0	0	0	0	110.3	Q87	Q87-G89 VanDerWaalsContact C-N 3.27Å; Q87-G89 PolarHBondContact O-N 3.12Å
90	G	56.5	Low	71.5	Confident	58 Å²	58	109.3 Å²	109.3	60%	0.598	58%	0.581	S	S	*	*			trans	-123	25.5	-171.4	0	0	0	0	0	113.7	E88 T92	E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.71Å; G90-T92 PolarHBondContact O-N 3.2Å
91	W	57.5	Low	70.4	Confident	251 Å²	251	111.7 Å²	111.7	95%	0.951	59%	0.591	S	S	*	*			trans	-85.9	42.6	166.1	-61.8	93.4	0	0	0	110.9	N93	W91-N93 PolarHBondContact O-N 3.08Å
92	T	58.3	Low	69.1	Low	114 Å²	114	117.9 Å²	117.9	70%	0.699	62%	0.624	S	S	*	*			trans	-89.3	51.3	163.2	62.9	0	0	0	0	109	G90 I94	G90-T92 PolarHBondContact O-N 3.2Å; T92-I94 PolarHBondContact O-N 3.13Å
93	N	59.9	Low	67.7	Low	137 Å²	137	120.4 Å²	120.4	73%	0.733	64%	0.64	S	S	*	*			trans	-83.1	77.3	157.1	-155	-75.3	0	0	0	105.6	W91 P95	W91-N93 PolarHBondContact O-N 3.08Å; N93-P95 WeakPolarHBondContact O-CD 3.4Å; N93-P95 WeakPolarHBondContact OD1-CD 3.15Å
94	I	64.7	Low	66.2	Low	141 Å²	141	127.7 Å²	127.7	72%	0.723	68%	0.679	S	S	*	*			trans	-99.2	87.5	166.1	-46.8	175	0	0	0	105.6	T92 S96	T92-I94 PolarHBondContact O-N 3.13Å; I94-S96 PolarHBondContact O-N 2.88Å
95	P	62.8	Low	64.6	Low	80 Å²	80	131.4 Å²	131.4	52%	0.519	71%	0.705	S	S	.	*			trans	-70.2	92	162.1	29	-28.2	0	0	0	105.7	N93 Y97	N93-P95 WeakPolarHBondContact O-CD 3.4Å; N93-P95 WeakPolarHBondContact OD1-CD 3.15Å; P95-Y97 VanDerWaalsContact C-N 3.32Å; P95-Y97 PolarHBondContact O-N 2.88Å
96	S	66	Low	62.9	Low	99 Å²	99	135.2 Å²	135.2	69%	0.692	73%	0.729	S	S	*	*			trans	-66.9	99.4	168.7	-179.1	0	0	0	0	107.3	I94 S98	I94-S96 PolarHBondContact O-N 2.88Å; S96-S98 VanDerWaalsContact C-N 3.26Å; S96-S98 PolarHBondContact O-N 3.23Å
97	Y	63.5	Low	61.5	Low	194 Å²	194	141.1 Å²	141.1	76%	0.761	76%	0.758	S	S	*	*			trans	-62.8	87.5	163.6	-85.8	-100.1	0	0	0	108.5	P95 H99	P95-Y97 VanDerWaalsContact C-N 3.32Å; P95-Y97 PolarHBondContact O-N 2.88Å; Y97-H99 PolarHBondContact O-N 2.84Å
98	S	65.9	Low	61	Low	107 Å²	107	137.4 Å²	137.4	75%	0.748	75%	0.749	S	S	*	*			trans	-84.7	107.4	160.6	58.2	0	0	0	0	107.8	S96	S96-S98 VanDerWaalsContact C-N 3.26Å; S96-S98 PolarHBondContact O-N 3.23Å
99	H	60.3	Low	61	Low	241 Å²	241	135.5 Å²	135.5	100%	1.116	75%	0.75	S	S	*	*			trans	-67.1	0	165.4	-71.6	72.2	0	0	0	110.4	Y97	Y97-H99 PolarHBondContact O-N 2.84Å

Retrieved 99 of 99 residues in 244.6 ms (Link to these results)

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