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Phosphonoacetate hydrolase YjdM

Catalyzes the hydrolysis of phosphonoacetate.

AlphaFold DB , UniProt , Accession P0AFJ1, Species ECOLI (Escherichia coli (strain K12)), Gene yjdM, Length 111 aa.

						>YJDM_ECOLI|P0AFJ1|yjdM
MSLPHCPKCNSEYTYEDNGMYICPECAYEWNDAEPAQESDELIVKDANGNLLADGDSVTIIKDLKVKGSSSMLKIGTKVKNIRLVEGDHNIDCKIDGFGPMKLKSEFVKKN
					

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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	Low	78.2	Confident	229 Å²	229	92.9 Å²	92.9	100%	1.128	51%	0.51	S	S	*	.				0	114.5	0	-81.3	68.9	178.9	0	0	107.1
2	S	67.9	Low	78.6	Confident	128 Å²	128	96.4 Å²	96.4	90%	0.895	52%	0.52	S	S	*	.			trans	-85.2	115.4	172.1	-52	0	0	0	0	107.2
3	L	78.8	Confident	79	Confident	68 Å²	68	101.2 Å²	101.2	36%	0.356	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-67.5	150.3	177.1	-64.1	98.3	0	0	0	109.7	T14 E16 Y21	L3-T14 VanDerWaalsContact CB-OG1 3.25Å; L3-T14 WeakPolarHBondContact CB-OG1 3.44Å; L3-T14 WeakPolarHBondContact CD2-O 3.36Å; L3-E16 HydrophobicContact CD2-CB 4.11Å; L3-Y21 HydrophobicContact CB-CE1 4.49Å; L3-Y21 HydrophobicContact CD2-CD1 4.06Å; L3-Y21 HydrophobicContact CD2-CE1 3.96Å
4	P	79.3	Confident	79.4	Confident	42 Å²	42	94.4 Å²	94.4	27%	0.273	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-62.4	139.2	-177.5	25.4	-33.8	0	0	0	110.9	T14 Y21	P4-T14 WeakPolarHBondContact O-CB 3.44Å; P4-T14 WeakPolarHBondContact O-CG2 3.49Å; P4-T14 PolarHBondContact O-OG1 3.03Å; P4-Y21 VanDerWaalsContact CD-CE1 3.45Å; P4-Y21 HydrophobicContact CG-CD1 3.8Å; P4-Y21 HydrophobicContact CG-CD2 4.05Å; P4-Y21 HydrophobicContact CG-CE1 3.87Å; P4-Y21 HydrophobicContact CG-CE2 4.14Å; P4-Y21 HydrophobicContact CG-CG 3.9Å
5	H	82.7	Confident	79.9	Confident	114 Å²	114	95.3 Å²	95.3	53%	0.528	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.9	144.5	172.8	-57.1	127.1	0	0	0	110.3	S11	H5-S11 WeakPolarHBondContact CA-O 3.45Å
6	C	84.7	Confident	80.2	Confident	1 Å²	1	96.6 Å²	96.6	1%	0.007	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-62.5	125.6	177.1	-178	0	0	0	0	111.4	K8 C9 N10 S11 T14 C23 W30	C6-K8 PolarHBondContact O-N 3.24Å; C6-K8 VanDerWaalsContact O-N 3.15Å; C6-K8 PolarHBondContact SG-N 3.44Å; C6-C9 VanDerWaalsContact CB-SG 3.58Å; C6-C9 VanDerWaalsContact SG-SG 3.65Å; C6-N10 WeakPolarHBondContact O-CA 3.06Å; C6-N10 PolarHBondContact O-N 2.9Å; C6-S11 PolarHBondContact N-O 3.32Å; C6-T14 HydrophobicContact CB-CG2 3.93Å; C6-C23 HydrophobicContact CB-CB 3.94Å; C6-W30 HydrophobicContact CB-CH2 3.52Å; C6-W30 HydrophobicContact CB-CZ2 4.39Å; C6-W30 HydrophobicContact CB-CZ3 4.01Å; C6-W30 VanDerWaalsContact SG-CZ3 3.51Å
7	P	82.3	Confident	80.4	Confident	95 Å²	95	96.1 Å²	96.1	62%	0.617	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.6	179.9	28.6	-36.5	0	0	0	113.3	Y28 W30	P7-Y28 HydrophobicContact CG-CD1 4.03Å; P7-Y28 HydrophobicContact CG-CE1 3.53Å; P7-W30 HydrophobicContact CG-CD2 4.4Å
8	K	80.8	Confident	80.4	Confident	146 Å²	146	99.1 Å²	99.1	64%	0.635	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-37.3	-177.2	-166.7	176.2	-176.9	-178.2	0	113.7	C6 Y28	C6-K8 PolarHBondContact O-N 3.24Å; C6-K8 VanDerWaalsContact O-N 3.15Å; C6-K8 PolarHBondContact SG-N 3.44Å; K8-Y28 HydrophobicContact CB-CD1 4.17Å; K8-Y28 HydrophobicContact CB-CG 4.24Å; K8-Y28 HydrophobicContact CD-CD2 4.12Å; K8-Y28 HydrophobicContact CD-CG 4.1Å
9	C	88.9	Confident	80.4	Confident	58 Å²	58	95.7 Å²	95.7	39%	0.392	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-0.2	-177.7	65.1	0	0	0	0	114.2	C6 S11 C23 C26	C6-C9 VanDerWaalsContact CB-SG 3.58Å; C6-C9 VanDerWaalsContact SG-SG 3.65Å; C9-S11 PolarHBondContact O-N 2.91Å; C9-S11 VanDerWaalsContact O-N 3.17Å; C9-S11 WeakPolarHBondContact SG-CB 2.93Å; C9-C23 PolarHBondContact SG-SG 3.37Å; C9-C26 HydrophobicContact CB-CB 4.45Å; C9-C26 VanDerWaalsContact SG-SG 3.61Å
10	N	82.3	Confident	80.5	Confident	124 Å²	124	93.8 Å²	93.8	66%	0.663	49%	0.489	S	S	*	.			trans	55.3	26.9	-176.1	-155.7	85.4	0	0	0	113.8	C6	C6-N10 WeakPolarHBondContact O-CA 3.06Å; C6-N10 PolarHBondContact O-N 2.9Å
11	S	80.3	Confident	80.9	Confident	17 Å²	17	91 Å²	91	12%	0.119	47%	0.472	C	S	.	.			trans	-75.7	140.5	178	-175.5	0	0	0	0	111.3	H5 C6 C9 Y13	H5-S11 WeakPolarHBondContact CA-O 3.45Å; C6-S11 PolarHBondContact N-O 3.32Å; C9-S11 PolarHBondContact O-N 2.91Å; C9-S11 VanDerWaalsContact O-N 3.17Å; C9-S11 WeakPolarHBondContact SG-CB 2.93Å; S11-Y13 PolarHBondContact OG-N 3.34Å
12	E	83	Confident	82.5	Confident	135 Å²	135	81.1 Å²	81.1	63%	0.631	42%	0.424	S	S	*	.	S	Bend	trans	-87	-6.3	177.9	63.8	-173.2	91.3	0	0	114.5	T14	E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 2.83Å
13	Y	83.8	Confident	83.5	Confident	158 Å²	158	75 Å²	75	62%	0.62	38%	0.381	S	S	*	.			trans	-94	29.9	-175.9	-58.8	-74.7	0	0	0	113.4	S11 P24	S11-Y13 PolarHBondContact OG-N 3.34Å; Y13-P24 WeakPolarHBondContact O-CD 3.3Å; Y13-P24 VanDerWaalsContact O-CG 3.25Å; Y13-P24 WeakPolarHBondContact O-CG 3.37Å
14	T	85.2	Confident	83.9	Confident	6 Å²	6	75.1 Å²	75.1	4%	0.037	39%	0.386	C	S	.	.			trans	-67.5	143	176.9	63.7	0	0	0	0	109.4	L3 P4 C6 E12 I22 W30	L3-T14 VanDerWaalsContact CB-OG1 3.25Å; L3-T14 WeakPolarHBondContact CB-OG1 3.44Å; L3-T14 WeakPolarHBondContact CD2-O 3.36Å; P4-T14 WeakPolarHBondContact O-CB 3.44Å; P4-T14 WeakPolarHBondContact O-CG2 3.49Å; P4-T14 PolarHBondContact O-OG1 3.03Å; C6-T14 HydrophobicContact CB-CG2 3.93Å; E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 2.83Å; T14-I22 WeakPolarHBondContact CA-O 3.27Å; T14-W30 HydrophobicContact CG2-CH2 3.48Å; T14-W30 VanDerWaalsContact CG2-CH2 3.48Å; T14-W30 HydrophobicContact CG2-CZ2 3.92Å
15	Y	86.8	Confident	84.2	Confident	109 Å²	109	80.2 Å²	80.2	43%	0.427	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.3	174.9	64	-87.1	0	0	0	109.3	D17 Y21 I22 P24	Y15-D17 HydrophobicContact CD2-CB 4.42Å; Y15-D17 HydrophobicContact CE2-CB 4.24Å; Y15-Y21 CarbonylContact O-C 3.59Å; Y15-Y21 WeakPolarHBondContact O-CA 3.29Å; Y15-I22 HydrophobicContact CD1-CB 4.48Å; Y15-I22 WeakPolarHBondContact CD1-O 3.45Å; Y15-I22 HydrophobicContact CD2-CB 4.29Å; Y15-I22 HydrophobicContact CE1-CB 3.99Å; Y15-I22 HydrophobicContact CE1-CG2 3.85Å; Y15-I22 HydrophobicContact CE2-CB 3.8Å; Y15-I22 HydrophobicContact CE2-CD1 3.89Å; Y15-I22 HydrophobicContact CE2-CG1 4.38Å; Y15-I22 HydrophobicContact CE2-CG2 4.17Å; Y15-I22 PolarHBondContact N-O 3.19Å; Y15-I22 PolarHBondContact O-N 2.97Å; Y15-I22 VanDerWaalsContact OH-CG2 3.31Å; Y15-I22 WeakPolarHBondContact OH-CG2 3.47Å; Y15-P24 HydrophobicContact CD1-CG 4.42Å; Y15-P24 HydrophobicContact CE1-CB 4.13Å; Y15-P24 HydrophobicContact CE1-CG 4.38Å
16	E	85.3	Confident	84.5	Confident	115 Å²	115	76.7 Å²	76.7	54%	0.537	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.1	174.7	-174.9	-176.9	96.3	0	0	108.8	L3 M20 Y21	L3-E16 HydrophobicContact CD2-CB 4.11Å; E16-M20 CarbonylContact C-O 3.47Å; E16-M20 VanDerWaalsContact CA-O 3.25Å; E16-M20 WeakPolarHBondContact CA-O 3.48Å; E16-Y21 HydrophobicContact CB-CD1 4.29Å; E16-Y21 HydrophobicContact CB-CE1 4.12Å; E16-Y21 HydrophobicContact CG-CE1 4.45Å; E16-Y21 PolarHBondContact OE2-OH 3.39Å
17	D	82.9	Confident	84.4	Confident	88 Å²	88	80.6 Å²	80.6	47%	0.471	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.9	169	-171	-108.6	0	0	0	109.1	Y15 G19 M20 I22	Y15-D17 HydrophobicContact CD2-CB 4.42Å; Y15-D17 HydrophobicContact CE2-CB 4.24Å; D17-G19 PolarHBondContact O-N 3.16Å; D17-G19 VanDerWaalsContact O-N 3.08Å; D17-M20 PolarHBondContact N-O 3.12Å; D17-M20 PolarHBondContact O-N 3.43Å; D17-I22 HydrophobicContact CB-CD1 3.44Å; D17-I22 VanDerWaalsContact CB-CD1 3.44Å; D17-I22 HydrophobicContact CB-CG1 4.39Å
18	N	80	Confident	84.5	Confident	151 Å²	151	80.5 Å²	80.5	81%	0.807	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.9	176.7	-147.6	2.7	0	0	0	115.1
19	G	80	Confident	84.7	Confident	34 Å²	34	78.4 Å²	78.4	35%	0.351	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	2.6	-179.1	0	0	0	0	0	115.1	D17 N31	D17-G19 PolarHBondContact O-N 3.16Å; D17-G19 VanDerWaalsContact O-N 3.08Å; G19-N31 VanDerWaalsContact O-CG 3.24Å; G19-N31 PolarHBondContact O-ND2 2.77Å; G19-N31 PolarHBondContact O-OD1 2.91Å
20	M	84.1	Confident	84.5	Confident	57 Å²	57	77.2 Å²	77.2	28%	0.281	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.5	176.3	-56.7	177.8	-66.9	0	0	109.8	E16 D17 E29 N31	E16-M20 CarbonylContact C-O 3.47Å; E16-M20 VanDerWaalsContact CA-O 3.25Å; E16-M20 WeakPolarHBondContact CA-O 3.48Å; D17-M20 PolarHBondContact N-O 3.12Å; D17-M20 PolarHBondContact O-N 3.43Å; M20-E29 HydrophobicContact CB-CG 4.04Å; M20-E29 HydrophobicContact SD-CG 4.19Å; M20-N31 HydrophobicContact CG-CB 4.34Å
21	Y	86.9	Confident	84.4	Confident	36 Å²	36	73.2 Å²	73.2	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.1	171.8	-63.6	-77.5	0	0	0	110.5	L3 P4 Y15 E16 E29 W30 D32	L3-Y21 HydrophobicContact CB-CE1 4.49Å; L3-Y21 HydrophobicContact CD2-CD1 4.06Å; L3-Y21 HydrophobicContact CD2-CE1 3.96Å; P4-Y21 VanDerWaalsContact CD-CE1 3.45Å; P4-Y21 HydrophobicContact CG-CD1 3.8Å; P4-Y21 HydrophobicContact CG-CD2 4.05Å; P4-Y21 HydrophobicContact CG-CE1 3.87Å; P4-Y21 HydrophobicContact CG-CE2 4.14Å; P4-Y21 HydrophobicContact CG-CG 3.9Å; Y15-Y21 CarbonylContact O-C 3.59Å; Y15-Y21 WeakPolarHBondContact O-CA 3.29Å; E16-Y21 HydrophobicContact CB-CD1 4.29Å; E16-Y21 HydrophobicContact CB-CE1 4.12Å; E16-Y21 HydrophobicContact CG-CE1 4.45Å; E16-Y21 PolarHBondContact OE2-OH 3.39Å; Y21-E29 VanDerWaalsContact O-CA 3.3Å; Y21-E29 WeakPolarHBondContact O-CA 2.88Å; Y21-W30 WeakPolarHBondContact CA-O 3.4Å; Y21-W30 WeakPolarHBondContact CB-O 3.47Å; Y21-W30 AromaticContact CD2-NE1 3.9Å; Y21-W30 PolarHBondContact N-O 3.13Å; Y21-W30 PolarHBondContact O-N 2.69Å; Y21-D32 HydrophobicContact CD2-CB 3.85Å; Y21-D32 HydrophobicContact CE2-CB 3.29Å
22	I	87.5	Confident	84	Confident	21 Å²	21	77.8 Å²	77.8	11%	0.108	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.6	178.6	-57.2	171.3	0	0	0	108.9	T14 Y15 D17 Y28 E29	T14-I22 WeakPolarHBondContact CA-O 3.27Å; Y15-I22 HydrophobicContact CD1-CB 4.48Å; Y15-I22 WeakPolarHBondContact CD1-O 3.45Å; Y15-I22 HydrophobicContact CD2-CB 4.29Å; Y15-I22 HydrophobicContact CE1-CB 3.99Å; Y15-I22 HydrophobicContact CE1-CG2 3.85Å; Y15-I22 HydrophobicContact CE2-CB 3.8Å; Y15-I22 HydrophobicContact CE2-CD1 3.89Å; Y15-I22 HydrophobicContact CE2-CG1 4.38Å; Y15-I22 HydrophobicContact CE2-CG2 4.17Å; Y15-I22 PolarHBondContact N-O 3.19Å; Y15-I22 PolarHBondContact O-N 2.97Å; Y15-I22 VanDerWaalsContact OH-CG2 3.31Å; Y15-I22 WeakPolarHBondContact OH-CG2 3.47Å; D17-I22 HydrophobicContact CB-CD1 3.44Å; D17-I22 VanDerWaalsContact CB-CD1 3.44Å; D17-I22 HydrophobicContact CB-CG1 4.39Å; I22-Y28 WeakPolarHBondContact CA-O 3.23Å; I22-E29 HydrophobicContact CG1-CG 4.12Å
23	C	88.8	Confident	83	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	40%	0.396	C	S	.	.			trans	-93.8	120.8	171.5	-176.4	0	0	0	0	111	C6 C9 E25 A27 Y28 W30	C6-C23 HydrophobicContact CB-CB 3.94Å; C9-C23 PolarHBondContact SG-SG 3.37Å; C23-E25 VanDerWaalsContact C-N 3.31Å; C23-E25 PolarHBondContact O-N 2.96Å; C23-A27 WeakPolarHBondContact O-CA 3.27Å; C23-A27 PolarHBondContact O-N 2.9Å; C23-Y28 PolarHBondContact N-O 2.7Å; C23-W30 HydrophobicContact CB-CH2 4.16Å; C23-W30 HydrophobicContact CB-CZ3 3.86Å
24	P	85.5	Confident	81.5	Confident	70 Å²	70	73.7 Å²	73.7	46%	0.455	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.1	178.5	27.1	-33.2	0	0	0	113.5	Y13 Y15	Y13-P24 WeakPolarHBondContact O-CD 3.3Å; Y13-P24 VanDerWaalsContact O-CG 3.25Å; Y13-P24 WeakPolarHBondContact O-CG 3.37Å; Y15-P24 HydrophobicContact CD1-CG 4.42Å; Y15-P24 HydrophobicContact CE1-CB 4.13Å; Y15-P24 HydrophobicContact CE1-CG 4.38Å
25	E	85.8	Confident	79.9	Confident	149 Å²	149	78.7 Å²	78.7	70%	0.696	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-29.9	-177	-72.6	-69.6	101	0	0	113.2	C23	C23-E25 VanDerWaalsContact C-N 3.31Å; C23-E25 PolarHBondContact O-N 2.96Å
26	C	89.4	Confident	78	Confident	40 Å²	40	77.9 Å²	77.9	27%	0.27	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	2.4	-176.8	68.5	0	0	0	0	114.8	C9 Y28	C9-C26 HydrophobicContact CB-CB 4.45Å; C9-C26 VanDerWaalsContact SG-SG 3.61Å; C26-Y28 PolarHBondContact O-N 3.28Å; C26-Y28 VanDerWaalsContact O-N 3.13Å; C26-Y28 WeakPolarHBondContact SG-CB 2.93Å
27	A	82.8	Confident	76.2	Confident	84 Å²	84	78.7 Å²	78.7	69%	0.694	45%	0.448	S	S	*	.			trans	50.7	31.9	-175	0	0	0	0	0	113.2	C23	C23-A27 WeakPolarHBondContact O-CA 3.27Å; C23-A27 PolarHBondContact O-N 2.9Å
28	Y	83.9	Confident	74.4	Confident	92 Å²	92	83.9 Å²	83.9	36%	0.361	47%	0.469	S	S	.	.			trans	-82.8	125.8	174.9	-173.1	-119.2	0	0	0	108.7	P7 K8 I22 C23 C26 W30	P7-Y28 HydrophobicContact CG-CD1 4.03Å; P7-Y28 HydrophobicContact CG-CE1 3.53Å; K8-Y28 HydrophobicContact CB-CD1 4.17Å; K8-Y28 HydrophobicContact CB-CG 4.24Å; K8-Y28 HydrophobicContact CD-CD2 4.12Å; K8-Y28 HydrophobicContact CD-CG 4.1Å; I22-Y28 WeakPolarHBondContact CA-O 3.23Å; C23-Y28 PolarHBondContact N-O 2.7Å; C26-Y28 PolarHBondContact O-N 3.28Å; C26-Y28 VanDerWaalsContact O-N 3.13Å; C26-Y28 WeakPolarHBondContact SG-CB 2.93Å; Y28-W30 AromaticContact CD1-CD2 3.97Å; Y28-W30 HydrophobicContact CD1-CD2 3.97Å; Y28-W30 AromaticContact CD1-CE3 3.08Å; Y28-W30 HydrophobicContact CD1-CE3 3.08Å; Y28-W30 AromaticContact CD1-CZ3 3.51Å; Y28-W30 HydrophobicContact CD1-CZ3 3.51Å; Y28-W30 HydrophobicContact CE1-CB 3.84Å; Y28-W30 AromaticContact CE1-CD2 3.92Å; Y28-W30 HydrophobicContact CE1-CD2 3.92Å; Y28-W30 AromaticContact CE1-CE3 3.49Å; Y28-W30 HydrophobicContact CE1-CE3 3.49Å; Y28-W30 VanDerWaalsContact CE1-CE3 3.49Å; Y28-W30 HydrophobicContact CE1-CG 4.11Å; Y28-W30 HydrophobicContact CE1-CZ3 4.29Å; Y28-W30 AromaticContact CG-CE3 3.97Å; Y28-W30 HydrophobicContact CG-CE3 3.97Å; Y28-W30 HydrophobicContact CG-CZ3 4.28Å; Y28-W30 VanDerWaalsContact O-CZ3 3.24Å; Y28-W30 WeakPolarHBondContact O-CZ3 3.23Å
29	E	86.2	Confident	72.8	Confident	103 Å²	103	79.5 Å²	79.5	48%	0.481	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.9	177.6	-171.3	168	80.4	0	0	107.9	M20 Y21 I22	M20-E29 HydrophobicContact CB-CG 4.04Å; M20-E29 HydrophobicContact SD-CG 4.19Å; Y21-E29 VanDerWaalsContact O-CA 3.3Å; Y21-E29 WeakPolarHBondContact O-CA 2.88Å; I22-E29 HydrophobicContact CG1-CG 4.12Å
30	W	83.8	Confident	71.5	Confident	33 Å²	33	85.1 Å²	85.1	13%	0.125	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.7	174.5	70.6	93	0	0	0	109	C6 P7 T14 Y21 C23 Y28	C6-W30 HydrophobicContact CB-CH2 3.52Å; C6-W30 HydrophobicContact CB-CZ2 4.39Å; C6-W30 HydrophobicContact CB-CZ3 4.01Å; C6-W30 VanDerWaalsContact SG-CZ3 3.51Å; P7-W30 HydrophobicContact CG-CD2 4.4Å; T14-W30 HydrophobicContact CG2-CH2 3.48Å; T14-W30 VanDerWaalsContact CG2-CH2 3.48Å; T14-W30 HydrophobicContact CG2-CZ2 3.92Å; Y21-W30 WeakPolarHBondContact CA-O 3.4Å; Y21-W30 WeakPolarHBondContact CB-O 3.47Å; Y21-W30 AromaticContact CD2-NE1 3.9Å; Y21-W30 PolarHBondContact N-O 3.13Å; Y21-W30 PolarHBondContact O-N 2.69Å; C23-W30 HydrophobicContact CB-CH2 4.16Å; C23-W30 HydrophobicContact CB-CZ3 3.86Å; Y28-W30 AromaticContact CD1-CD2 3.97Å; Y28-W30 HydrophobicContact CD1-CD2 3.97Å; Y28-W30 AromaticContact CD1-CE3 3.08Å; Y28-W30 HydrophobicContact CD1-CE3 3.08Å; Y28-W30 AromaticContact CD1-CZ3 3.51Å; Y28-W30 HydrophobicContact CD1-CZ3 3.51Å; Y28-W30 HydrophobicContact CE1-CB 3.84Å; Y28-W30 AromaticContact CE1-CD2 3.92Å; Y28-W30 HydrophobicContact CE1-CD2 3.92Å; Y28-W30 AromaticContact CE1-CE3 3.49Å; Y28-W30 HydrophobicContact CE1-CE3 3.49Å; Y28-W30 VanDerWaalsContact CE1-CE3 3.49Å; Y28-W30 HydrophobicContact CE1-CG 4.11Å; Y28-W30 HydrophobicContact CE1-CZ3 4.29Å; Y28-W30 AromaticContact CG-CE3 3.97Å; Y28-W30 HydrophobicContact CG-CE3 3.97Å; Y28-W30 HydrophobicContact CG-CZ3 4.28Å; Y28-W30 VanDerWaalsContact O-CZ3 3.24Å; Y28-W30 WeakPolarHBondContact O-CZ3 3.23Å
31	N	81.3	Confident	70.1	Confident	40 Å²	40	85.8 Å²	85.8	21%	0.214	48%	0.475	C	S	.	.			trans	-118	119.7	179.1	-176.4	-33.1	0	0	0	108.7	G19 M20 A33 E34	G19-N31 VanDerWaalsContact O-CG 3.24Å; G19-N31 PolarHBondContact O-ND2 2.77Å; G19-N31 PolarHBondContact O-OD1 2.91Å; M20-N31 HydrophobicContact CG-CB 4.34Å; N31-A33 WeakPolarHBondContact OD1-CA 3.28Å; N31-A33 WeakPolarHBondContact OD1-CB 3.39Å; N31-A33 PolarHBondContact OD1-N 3.19Å; N31-E34 HydrophobicContact CB-CB 4.45Å; N31-E34 HydrophobicContact CB-CG 3.7Å; N31-E34 WeakPolarHBondContact CB-OE2 3.24Å; N31-E34 PolarHBondContact O-N 3.36Å; N31-E34 PolarHBondContact OD1-N 3.33Å
32	D	70.8	Confident	68.8	Low	113 Å²	113	86 Å²	86	60%	0.604	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.8	175.4	-167.6	-110.1	0	0	0	111.1	Y21 E34	Y21-D32 HydrophobicContact CD2-CB 3.85Å; Y21-D32 HydrophobicContact CE2-CB 3.29Å; D32-E34 PolarHBondContact O-N 3.1Å
33	A	63	Low	67.9	Low	78 Å²	78	91.2 Å²	91.2	65%	0.645	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	17.1	172.8	0	0	0	0	0	113.1	N31 P35	N31-A33 WeakPolarHBondContact OD1-CA 3.28Å; N31-A33 WeakPolarHBondContact OD1-CB 3.39Å; N31-A33 PolarHBondContact OD1-N 3.19Å; A33-P35 WeakPolarHBondContact O-CD 3.32Å
34	E	51.7	Low	67.3	Low	128 Å²	128	91.6 Å²	91.6	60%	0.598	51%	0.507	S	S	*	.			trans	-91.8	89.8	157.9	-71.7	176.1	121	0	0	108.9	N31 D32 A36	N31-E34 HydrophobicContact CB-CB 4.45Å; N31-E34 HydrophobicContact CB-CG 3.7Å; N31-E34 WeakPolarHBondContact CB-OE2 3.24Å; N31-E34 PolarHBondContact O-N 3.36Å; N31-E34 PolarHBondContact OD1-N 3.33Å; D32-E34 PolarHBondContact O-N 3.1Å; E34-A36 PolarHBondContact O-N 2.76Å
35	P	50.5	Low	67.1	Low	111 Å²	111	94.2 Å²	94.2	72%	0.721	51%	0.511	S	S	*	.			trans	-60.8	96.3	136.9	29.7	-24.7	0	0	0	104.5	A33 Q37	A33-P35 WeakPolarHBondContact O-CD 3.32Å; P35-Q37 PolarHBondContact O-N 3.13Å
36	A	48.5	Very low	67.1	Low	92 Å²	92	87.5 Å²	87.5	76%	0.76	48%	0.48	S	S	*	.			trans	-61	78.3	169	0	0	0	0	0	108.5	E34	E34-A36 PolarHBondContact O-N 2.76Å
37	Q	46.9	Very low	66.7	Low	132 Å²	132	87.8 Å²	87.8	62%	0.617	49%	0.485	S	S	*	.			trans	-157.9	49.8	164.3	-145	154	-22.4	0	0	110.2	P35 S39 E41	P35-Q37 PolarHBondContact O-N 3.13Å; Q37-S39 VanDerWaalsContact CA-N 3.26Å; Q37-S39 WeakPolarHBondContact CG-OG 3.44Å; Q37-S39 PolarHBondContact O-N 2.91Å; Q37-S39 VanDerWaalsContact O-N 3.13Å; Q37-E41 PolarHBondContact NE2-OE2 3.4Å
38	E	45.1	Very low	66.7	Low	198 Å²	198	88.5 Å²	88.5	93%	0.925	48%	0.477	S	S	*	.			trans	-70	44.2	130.2	-60.4	-169.2	104.2	0	0	109.1	D40	E38-D40 PolarHBondContact O-N 3.2Å
39	S	47	Very low	66.5	Low	58 Å²	58	86.3 Å²	86.3	41%	0.406	48%	0.483	S	S	.	.			trans	-53.2	122.5	149.4	-81.4	0	0	0	0	103.2	Q37 E41	Q37-S39 VanDerWaalsContact CA-N 3.26Å; Q37-S39 WeakPolarHBondContact CG-OG 3.44Å; Q37-S39 PolarHBondContact O-N 2.91Å; Q37-S39 VanDerWaalsContact O-N 3.13Å; S39-E41 WeakPolarHBondContact CB-OE2 3.17Å; S39-E41 PolarHBondContact O-N 2.76Å; S39-E41 PolarHBondContact OG-OE2 3.05Å
40	D	52.2	Low	66.3	Low	152 Å²	152	84.6 Å²	84.6	81%	0.813	48%	0.477	S	S	*	.			trans	-48.8	18.8	155.5	-152.2	-116.7	0	0	0	112.9	E38 L42	E38-D40 PolarHBondContact O-N 3.2Å; D40-L42 PolarHBondContact O-N 2.92Å
41	E	54.5	Low	66.3	Low	72 Å²	72	87.9 Å²	87.9	34%	0.336	50%	0.497	S	S	.	.			trans	-61.4	87.9	159.6	-78.9	173.5	101.2	0	0	106.9	Q37 S39 I43	Q37-E41 PolarHBondContact NE2-OE2 3.4Å; S39-E41 WeakPolarHBondContact CB-OE2 3.17Å; S39-E41 PolarHBondContact O-N 2.76Å; S39-E41 PolarHBondContact OG-OE2 3.05Å; E41-I43 VanDerWaalsContact O-CG1 3.3Å; E41-I43 WeakPolarHBondContact O-CG1 3.18Å; E41-I43 PolarHBondContact O-N 3.41Å
42	L	60.3	Low	66.4	Low	41 Å²	41	86.3 Å²	86.3	22%	0.215	49%	0.488	C	S	.	.			trans	-28.4	106	156.2	-54.2	178	0	0	0	108.2	D40 V44 L84 V85 E86	D40-L42 PolarHBondContact O-N 2.92Å; L42-V44 HydrophobicContact CB-CG2 3.94Å; L42-V44 WeakPolarHBondContact O-CG2 3.27Å; L42-V44 PolarHBondContact O-N 3.05Å; L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD1-CB 4.32Å; L42-L84 WeakPolarHBondContact O-CD1 3.4Å; L42-V85 VanDerWaalsContact CD1-C 3.41Å; L42-E86 HydrophobicContact CD1-CB 4.4Å; L42-E86 HydrophobicContact CD1-CG 3.44Å; L42-E86 VanDerWaalsContact CD1-CG 3.44Å; L42-E86 VanDerWaalsContact CD2-CD 3.45Å; L42-E86 HydrophobicContact CD2-CG 3.17Å; L42-E86 HydrophobicContact CG-CG 3.89Å
43	I	67.9	Low	67	Low	129 Å²	129	82.3 Å²	82.3	66%	0.662	47%	0.471	S	S	*	.			trans	-75.2	74	-173.6	-54.4	179.2	0	0	0	106.7	E41 K45 L51	E41-I43 VanDerWaalsContact O-CG1 3.3Å; E41-I43 WeakPolarHBondContact O-CG1 3.18Å; E41-I43 PolarHBondContact O-N 3.41Å; I43-K45 PolarHBondContact O-N 2.99Å; I43-L51 HydrophobicContact CG2-CD2 3.25Å
44	V	76.5	Confident	68	Low	8 Å²	8	83.5 Å²	83.5	5%	0.048	47%	0.467	C	S	.	.			trans	-82.5	104.1	-177.2	-177.4	0	0	0	0	107.1	L42 L52 L84 N90 I91 S105	L42-V44 HydrophobicContact CB-CG2 3.94Å; L42-V44 WeakPolarHBondContact O-CG2 3.27Å; L42-V44 PolarHBondContact O-N 3.05Å; V44-L52 HydrophobicContact CG1-CD1 4.12Å; V44-L52 WeakPolarHBondContact O-CB 3.21Å; V44-L52 PolarHBondContact O-N 3.14Å; V44-L84 HydrophobicContact CB-CD1 4.34Å; V44-L84 HydrophobicContact CB-CD2 3.8Å; V44-L84 HydrophobicContact CG1-CD2 4.27Å; V44-L84 HydrophobicContact CG2-CB 4.14Å; V44-L84 HydrophobicContact CG2-CD1 4.26Å; V44-L84 HydrophobicContact CG2-CD2 3.9Å; V44-L84 HydrophobicContact CG2-CG 4.32Å; V44-N90 HydrophobicContact CB-CB 4.48Å; V44-N90 HydrophobicContact CG1-CB 3.67Å; V44-N90 HydrophobicContact CG2-CB 3.88Å; V44-I91 HydrophobicContact CG1-CD1 4.47Å; V44-I91 HydrophobicContact CG1-CG1 4.1Å; V44-S105 VanDerWaalsContact CG1-CB 3.42Å
45	K	81.6	Confident	69.6	Low	125 Å²	125	79 Å²	79	54%	0.543	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-83.2	126.7	172.6	-68.4	176.4	-172.6	178.3	0	109.6	I43 N50 L51 S105	I43-K45 PolarHBondContact O-N 2.99Å; K45-N50 WeakPolarHBondContact CA-O 3.12Å; K45-L51 HydrophobicContact CG-CD2 3.92Å; K45-S105 WeakPolarHBondContact O-CB 3.37Å; K45-S105 PolarHBondContact O-OG 3Å
46	D	85	Confident	71.2	Confident	8 Å²	8	75.5 Å²	75.5	4%	0.043	43%	0.43	C	S	.	.			trans	-65.8	170.3	170.6	-177.4	-96.7	0	0	0	112.9	N48 G49 N50 L52 S105 V108 K109 K110	D46-N48 PolarHBondContact O-N 2.89Å; D46-N48 VanDerWaalsContact O-N 3.14Å; D46-N48 PolarHBondContact OD1-N 2.83Å; D46-G49 PolarHBondContact O-N 2.87Å; D46-N50 HydrophobicContact CB-CB 4.22Å; D46-N50 WeakPolarHBondContact CB-O 3.22Å; D46-N50 PolarHBondContact N-O 3.08Å; D46-L52 HydrophobicContact CB-CD1 4.37Å; D46-L52 HydrophobicContact CB-CD2 4.24Å; D46-L52 HydrophobicContact CB-CG 4.19Å; D46-S105 CarbonylContact C-O 3.59Å; D46-S105 WeakPolarHBondContact CA-O 3.12Å; D46-V108 VanDerWaalsContact OD1-O 3.11Å; D46-V108 VanDerWaalsContact OD2-CG2 3.23Å; D46-V108 WeakPolarHBondContact OD2-CG2 3.43Å; D46-K109 VanDerWaalsContact OD1-CA 3.23Å; D46-K109 WeakPolarHBondContact OD1-CA 3.43Å; D46-K109 WeakPolarHBondContact OD2-CA 3.42Å; D46-K109 PolarHBondContact OD2-N 2.82Å; D46-K110 PolarHBondContact OD2-N 3.41Å; D46-K110 VanDerWaalsContact OD2-N 3.08Å
47	A	81.9	Confident	73.1	Confident	46 Å²	46	72.7 Å²	72.7	38%	0.38	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.3	176	0	0	0	0	0	113.7	I61 S105 E106 V108	A47-I61 HydrophobicContact CB-CD1 3.42Å; A47-I61 VanDerWaalsContact CB-CD1 3.42Å; A47-I61 HydrophobicContact CB-CG1 4.42Å; A47-S105 PolarHBondContact N-O 3.34Å; A47-E106 WeakPolarHBondContact CB-O 3.31Å; A47-V108 VanDerWaalsContact CB-O 3.27Å; A47-V108 WeakPolarHBondContact CB-O 3.46Å; A47-V108 PolarHBondContact N-O 3.13Å
48	N	81.8	Confident	75.1	Confident	99 Å²	99	66.4 Å²	66.4	53%	0.529	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2	176.5	-81.6	21.2	0	0	0	113.9	D46 N50	D46-N48 PolarHBondContact O-N 2.89Å; D46-N48 VanDerWaalsContact O-N 3.14Å; D46-N48 PolarHBondContact OD1-N 2.83Å; N48-N50 WeakPolarHBondContact CB-ND2 3.42Å
49	G	80.9	Confident	77.2	Confident	47 Å²	47	58.3 Å²	58.3	49%	0.485	34%	0.339	S	S	.	.	S	Bend	trans	79.6	14.1	-176.7	0	0	0	0	0	114.7	D46	D46-G49 PolarHBondContact O-N 2.87Å
50	N	81.8	Confident	79.1	Confident	67 Å²	67	55.6 Å²	55.6	36%	0.358	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-78.6	139.8	175.4	-67.6	-67.5	0	0	0	111	K45 D46 N48 L52 K110	K45-N50 WeakPolarHBondContact CA-O 3.12Å; D46-N50 HydrophobicContact CB-CB 4.22Å; D46-N50 WeakPolarHBondContact CB-O 3.22Å; D46-N50 PolarHBondContact N-O 3.08Å; N48-N50 WeakPolarHBondContact CB-ND2 3.42Å; N50-L52 PolarHBondContact O-N 3.35Å; N50-K110 HydrophobicContact CB-CB 3.76Å; N50-K110 HydrophobicContact CB-CD 4.09Å
51	L	84.1	Confident	80.9	Confident	101 Å²	101	51.4 Å²	51.4	53%	0.529	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-72.1	117.7	170.3	-63.5	-177.7	0	0	0	109.7	I43 K45 K110	I43-L51 HydrophobicContact CG2-CD2 3.25Å; K45-L51 HydrophobicContact CG-CD2 3.92Å; L51-K110 PolarHBondContact O-NZ 2.77Å
52	L	82.9	Confident	82.3	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.037	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-82.5	148	169.3	-60.9	-179.1	0	0	0	109.2	V44 D46 N50 V58 I82 L84 I91 V108 K110	V44-L52 HydrophobicContact CG1-CD1 4.12Å; V44-L52 WeakPolarHBondContact O-CB 3.21Å; V44-L52 PolarHBondContact O-N 3.14Å; D46-L52 HydrophobicContact CB-CD1 4.37Å; D46-L52 HydrophobicContact CB-CD2 4.24Å; D46-L52 HydrophobicContact CB-CG 4.19Å; N50-L52 PolarHBondContact O-N 3.35Å; L52-V58 HydrophobicContact CD1-CG1 4.09Å; L52-V58 HydrophobicContact CD2-CG1 3.57Å; L52-V58 HydrophobicContact CG-CG1 4.48Å; L52-I82 HydrophobicContact CB-CD1 3.93Å; L52-I82 HydrophobicContact CD1-CD1 3.95Å; L52-I82 HydrophobicContact CD2-CD1 4.29Å; L52-I82 HydrophobicContact CG-CD1 4.28Å; L52-L84 HydrophobicContact CB-CD1 4.46Å; L52-L84 HydrophobicContact CB-CD2 3.82Å; L52-L84 VanDerWaalsContact O-CD1 3.3Å; L52-L84 WeakPolarHBondContact O-CD1 3.39Å; L52-I91 HydrophobicContact CD1-CD1 3.36Å; L52-I91 HydrophobicContact CD1-CG1 4.04Å; L52-V108 HydrophobicContact CD1-CG2 4.24Å; L52-K110 HydrophobicContact CD2-CB 3.75Å; L52-K110 HydrophobicContact CD2-CD 4.44Å; L52-K110 HydrophobicContact CD2-CG 3.93Å
53	A	82.8	Confident	83.5	Confident	30 Å²	30	55.6 Å²	55.6	25%	0.248	32%	0.316	C	S	.	.			trans	-123.5	157.1	173.5	0	0	0	0	0	109.2	G55 D56	A53-G55 PolarHBondContact O-N 3.15Å; A53-D56 VanDerWaalsContact O-CB 3.25Å; A53-D56 WeakPolarHBondContact O-CB 3.25Å; A53-D56 PolarHBondContact O-N 3.07Å
54	D	84.3	Confident	84.1	Confident	102 Å²	102	51.1 Å²	51.1	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	132.7	170.2	-172.4	-93	0	0	0	110	R83	D54-R83 WeakPolarHBondContact OD2-CA 3.08Å; D54-R83 WeakPolarHBondContact OD2-CG 3.43Å
55	G	85.1	Confident	84.1	Confident	33 Å²	33	59.5 Å²	59.5	34%	0.34	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-4.8	-176.6	0	0	0	0	0	115.6	A53 I82	A53-G55 PolarHBondContact O-N 3.15Å; G55-I82 PolarHBondContact N-O 2.67Å
56	D	84.8	Confident	83.6	Confident	39 Å²	39	54.5 Å²	54.5	21%	0.209	31%	0.309	C	S	.	.			trans	-71.7	176.6	-177.6	-158.7	-93.7	0	0	0	112.8	A53 N81 I82 K110	A53-D56 VanDerWaalsContact O-CB 3.25Å; A53-D56 WeakPolarHBondContact O-CB 3.25Å; A53-D56 PolarHBondContact O-N 3.07Å; D56-N81 PolarHBondContact O-N 3.27Å; D56-N81 VanDerWaalsContact O-N 3.07Å; D56-I82 HydrophobicContact CB-CD1 4.46Å; D56-I82 HydrophobicContact CB-CG1 4.23Å; D56-I82 WeakPolarHBondContact O-CG1 3.18Å; D56-I82 PolarHBondContact O-N 2.84Å; D56-I82 VanDerWaalsContact O-N 3.16Å; D56-K110 VanDerWaalsContact CG-CE 3.45Å; D56-K110 VanDerWaalsContact OD1-CE 3.25Å; D56-K110 WeakPolarHBondContact OD1-CE 3.25Å; D56-K110 VanDerWaalsContact OD1-CG 3.24Å; D56-K110 WeakPolarHBondContact OD1-CG 3.05Å; D56-K110 WeakPolarHBondContact OD2-CE 3.45Å; D56-K110 IonicContact OD2-NZ 2.77Å
57	S	87	Confident	82.8	Confident	32 Å²	32	64.3 Å²	64.3	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.6	-179.7	-65.5	0	0	0	0	110.7	V79 N111	S57-V79 CarbonylContact C-O 3.56Å; S57-V79 WeakPolarHBondContact CA-O 2.94Å; S57-N111 PolarHBondContact O-N 3.33Å
58	V	88.9	Confident	82	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.4	178.9	-57.2	0	0	0	0	111.7	L52 K78 V79 I82 V108 K109	L52-V58 HydrophobicContact CD1-CG1 4.09Å; L52-V58 HydrophobicContact CD2-CG1 3.57Å; L52-V58 HydrophobicContact CG-CG1 4.48Å; V58-K78 CarbonylContact O-C 3.41Å; V58-K78 WeakPolarHBondContact O-CA 3.37Å; V58-V79 HydrophobicContact CG2-CB 4.12Å; V58-V79 PolarHBondContact N-O 3.41Å; V58-V79 PolarHBondContact O-N 2.83Å; V58-V79 VanDerWaalsContact O-O 3.08Å; V58-I82 HydrophobicContact CB-CG2 4.4Å; V58-I82 HydrophobicContact CG1-CD1 3.69Å; V58-I82 HydrophobicContact CG1-CG1 4.31Å; V58-I82 HydrophobicContact CG1-CG2 4.12Å; V58-I82 HydrophobicContact CG2-CG2 3.54Å; V58-V108 HydrophobicContact CB-CB 4Å; V58-V108 HydrophobicContact CB-CG1 4.28Å; V58-V108 HydrophobicContact CG2-CB 4.14Å; V58-V108 HydrophobicContact CG2-CG1 3.84Å; V58-K109 CarbonylContact C-O 3.49Å; V58-K109 VanDerWaalsContact CA-O 3.28Å; V58-K109 WeakPolarHBondContact CA-O 3.13Å
59	T	89	Confident	81.1	Confident	29 Å²	29	64 Å²	64	18%	0.178	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	178.9	-55.6	0	0	0	0	109.1	I61 T77 V108 K109	T59-I61 PolarHBondContact O-N 3.18Å; T59-T77 WeakPolarHBondContact CA-O 3.15Å; T59-V108 CarbonylContact O-C 3.41Å; T59-V108 WeakPolarHBondContact O-CA 3.25Å; T59-K109 PolarHBondContact N-O 3.09Å; T59-K109 PolarHBondContact O-N 3.41Å
60	I	88.8	Confident	80.5	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.2	178.7	-58.6	-66.7	0	0	0	110	K62 L64 L73 G76 T77 L103 V108	I60-K62 WeakPolarHBondContact CG2-O 3.48Å; I60-L64 HydrophobicContact CG2-CD1 4.41Å; I60-L73 HydrophobicContact CD1-CD2 4.45Å; I60-L73 HydrophobicContact CG1-CD2 4.27Å; I60-G76 PolarHBondContact O-N 3Å; I60-T77 WeakPolarHBondContact CG1-O 3.36Å; I60-T77 PolarHBondContact N-O 2.79Å; I60-L103 HydrophobicContact CD1-CD1 3.54Å; I60-L103 HydrophobicContact CD1-CD2 4.23Å; I60-L103 HydrophobicContact CD1-CG 4.49Å; I60-V108 HydrophobicContact CD1-CG1 3.83Å
61	I	88.2	Confident	80.1	Confident	63 Å²	63	68 Å²	68	32%	0.323	39%	0.393	S	S	.	.			trans	-97	-5.1	178.8	57.9	156.5	0	0	0	113.7	A47 T59 I75 F107 K109	A47-I61 HydrophobicContact CB-CD1 3.42Å; A47-I61 VanDerWaalsContact CB-CD1 3.42Å; A47-I61 HydrophobicContact CB-CG1 4.42Å; T59-I61 PolarHBondContact O-N 3.18Å; I61-I75 WeakPolarHBondContact O-CD1 2.91Å; I61-I75 WeakPolarHBondContact O-CG1 3.3Å; I61-F107 VanDerWaalsContact CG1-O 3.3Å; I61-F107 WeakPolarHBondContact CG1-O 3.3Å; I61-F107 PolarHBondContact N-O 2.78Å; I61-K109 HydrophobicContact CG2-CB 3.47Å; I61-K109 VanDerWaalsContact CG2-CB 3.47Å
62	K	84.2	Confident	79.6	Confident	124 Å²	124	68 Å²	68	54%	0.539	39%	0.392	S	S	.	.	S	Bend	trans	-141.4	143.7	-177.6	-163.7	151.2	-173	-100.4	0	111.6	I60 L64 F107	I60-K62 WeakPolarHBondContact CG2-O 3.48Å; K62-L64 PolarHBondContact O-N 3.07Å; K62-F107 HydrophobicContact CB-CD1 4.05Å; K62-F107 HydrophobicContact CD-CD1 4.15Å; K62-F107 HydrophobicContact CD-CE1 4.15Å
63	D	85.3	Confident	79.5	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	39%	0.39	S	S	.	.			trans	-64.3	122.4	173.2	-166.3	-90	0	0	0	109.8	L73 K74	D63-L73 WeakPolarHBondContact CA-O 3.38Å; D63-K74 WeakPolarHBondContact OD2-CA 3.39Å
64	L	80.9	Confident	79.5	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.183	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.1	-179.2	-69.2	174	0	0	0	109.2	I60 K62 V66 L73 L103 F107	I60-L64 HydrophobicContact CG2-CD1 4.41Å; K62-L64 PolarHBondContact O-N 3.07Å; L64-V66 PolarHBondContact O-N 3.39Å; L64-L73 HydrophobicContact CB-CB 4.33Å; L64-L73 PolarHBondContact N-O 3.18Å; L64-L73 PolarHBondContact O-N 2.74Å; L64-L103 HydrophobicContact CD1-CD2 3.74Å; L64-F107 HydrophobicContact CD1-CB 3.99Å; L64-F107 HydrophobicContact CD1-CG 4.36Å; L64-F107 HydrophobicContact CD2-CD1 4.36Å; L64-F107 HydrophobicContact CD2-CD2 4.25Å; L64-F107 HydrophobicContact CD2-CG 4.14Å
65	K	76.6	Confident	79.6	Confident	183 Å²	183	72.8 Å²	72.8	80%	0.796	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.1	171.9	-169.9	175.2	-174.9	176.6	0	109.4	K67	K65-K67 PolarHBondContact O-N 3.36Å
66	V	72.5	Confident	79.6	Confident	20 Å²	20	73.7 Å²	73.7	12%	0.121	42%	0.415	C	S	.	.			trans	-74.3	122.2	176.1	-170.8	0	0	0	0	109.3	L64 G68 L73 F98 M101	L64-V66 PolarHBondContact O-N 3.39Å; V66-G68 PolarHBondContact O-N 2.75Å; V66-G68 VanDerWaalsContact O-N 3.16Å; V66-L73 HydrophobicContact CG2-CD1 3.24Å; V66-F98 HydrophobicContact CG2-CD1 4.17Å; V66-F98 HydrophobicContact CG2-CE1 4.13Å; V66-M101 HydrophobicContact CB-CE 4.35Å; V66-M101 HydrophobicContact CG1-CE 3.95Å; V66-M101 HydrophobicContact CG1-SD 4.39Å; V66-M101 HydrophobicContact CG2-CE 3.91Å; V66-M101 HydrophobicContact CG2-SD 4.18Å
67	K	67.2	Low	79.7	Confident	215 Å²	215	73.8 Å²	73.8	94%	0.935	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	103.2	169.5	-72.8	-176.1	177.6	178.1	0	108.2	K65	K65-K67 PolarHBondContact O-N 3.36Å
68	G	65.4	Low	79.7	Confident	83 Å²	83	77 Å²	77	86%	0.856	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.4	-17.2	178.7	0	0	0	0	0	114.6	V66	V66-G68 PolarHBondContact O-N 2.75Å; V66-G68 VanDerWaalsContact O-N 3.16Å
69	S	62.5	Low	79.6	Confident	55 Å²	55	77 Å²	77	39%	0.385	43%	0.427	S	S	.	.			trans	-122.4	144.7	175.5	-65.5	0	0	0	0	110.5	S71	S69-S71 PolarHBondContact O-N 3.16Å
70	S	68.4	Low	79.5	Confident	135 Å²	135	82.4 Å²	82.4	94%	0.944	45%	0.448	S	S	*	.	S	Bend	trans	-70.3	-10.6	171.4	47.5	0	0	0	0	112.9
71	S	72.4	Confident	79.4	Confident	63 Å²	63	88.2 Å²	88.2	44%	0.441	48%	0.479	S	S	.	.			trans	-89.8	132.8	179	-65.3	0	0	0	0	112.3	S69	S69-S71 PolarHBondContact O-N 3.16Å
72	M	75	Confident	79.4	Confident	102 Å²	102	85.2 Å²	85.2	50%	0.502	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.4	169.6	47.1	-179.7	156.1	0	0	110.2	K74	M72-K74 HydrophobicContact CG-CG 4.23Å; M72-K74 PolarHBondContact O-N 3.07Å; M72-K74 HydrophobicContact SD-CG 4.37Å
73	L	80.8	Confident	79.4	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.005	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	108	163.9	-96.9	79.4	0	0	0	107.3	I60 D63 L64 V66 I95 F98 M101	I60-L73 HydrophobicContact CD1-CD2 4.45Å; I60-L73 HydrophobicContact CG1-CD2 4.27Å; D63-L73 WeakPolarHBondContact CA-O 3.38Å; L64-L73 HydrophobicContact CB-CB 4.33Å; L64-L73 PolarHBondContact N-O 3.18Å; L64-L73 PolarHBondContact O-N 2.74Å; V66-L73 HydrophobicContact CG2-CD1 3.24Å; L73-I95 HydrophobicContact CD2-CD1 3.62Å; L73-F98 HydrophobicContact CD1-CD1 3.68Å; L73-F98 HydrophobicContact CD1-CE1 3.55Å; L73-F98 HydrophobicContact CD1-CE2 4.42Å; L73-F98 HydrophobicContact CD1-CG 4.17Å; L73-F98 HydrophobicContact CD1-CZ 3.94Å; L73-M101 HydrophobicContact CD1-SD 4.12Å; L73-M101 HydrophobicContact CD2-SD 4.3Å
74	K	82.7	Confident	79.4	Confident	121 Å²	121	84.2 Å²	84.2	53%	0.526	45%	0.452	S	S	.	.			trans	-75.6	153	178.3	-65.9	-168.6	176.4	-170.2	0	111	D63 M72 G76 T77	D63-K74 WeakPolarHBondContact OD2-CA 3.39Å; M72-K74 HydrophobicContact CG-CG 4.23Å; M72-K74 PolarHBondContact O-N 3.07Å; M72-K74 HydrophobicContact SD-CG 4.37Å; K74-G76 PolarHBondContact O-N 2.9Å; K74-T77 PolarHBondContact O-N 3.42Å; K74-T77 PolarHBondContact O-OG1 3.42Å
75	I	86.6	Confident	79.5	Confident	117 Å²	117	84 Å²	84	60%	0.6	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	134.9	163.7	-174.5	172.5	0	0	0	110.1	I61	I61-I75 WeakPolarHBondContact O-CD1 2.91Å; I61-I75 WeakPolarHBondContact O-CG1 3.3Å
76	G	85.2	Confident	79.6	Confident	51 Å²	51	83.2 Å²	83.2	53%	0.526	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-4.1	-177	0	0	0	0	0	115	I60 K74 K78	I60-G76 PolarHBondContact O-N 3Å; K74-G76 PolarHBondContact O-N 2.9Å; G76-K78 PolarHBondContact O-N 3.15Å; G76-K78 VanDerWaalsContact O-N 3.12Å
77	T	85.7	Confident	79.8	Confident	41 Å²	41	84.4 Å²	84.4	25%	0.252	47%	0.468	S	S	.	.			trans	-62.2	116	170.1	-62.6	0	0	0	0	109.6	T59 I60 K74 V79	T59-T77 WeakPolarHBondContact CA-O 3.15Å; I60-T77 WeakPolarHBondContact CG1-O 3.36Å; I60-T77 PolarHBondContact N-O 2.79Å; K74-T77 PolarHBondContact O-N 3.42Å; K74-T77 PolarHBondContact O-OG1 3.42Å; T77-V79 HydrophobicContact CG2-CG2 4.39Å
78	K	86.9	Confident	80.3	Confident	99 Å²	99	79 Å²	79	43%	0.43	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128	175.2	-180	172.6	-66.7	-158.2	0	109.6	V58 G76 K80 N111	V58-K78 CarbonylContact O-C 3.41Å; V58-K78 WeakPolarHBondContact O-CA 3.37Å; G76-K78 PolarHBondContact O-N 3.15Å; G76-K78 VanDerWaalsContact O-N 3.12Å; K78-K80 HydrophobicContact CG-CG 4.42Å; K78-N111 PolarHBondContact NZ-ND2 2.69Å; K78-N111 VanDerWaalsContact NZ-ND2 3.19Å; K78-N111 PolarHBondContact NZ-OD1 3.49Å
79	V	87.3	Confident	81.1	Confident	2 Å²	2	79 Å²	79	1%	0.012	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.9	174.7	-165.9	0	0	0	0	108.6	S57 V58 T77 C93 I95	S57-V79 CarbonylContact C-O 3.56Å; S57-V79 WeakPolarHBondContact CA-O 2.94Å; V58-V79 HydrophobicContact CG2-CB 4.12Å; V58-V79 PolarHBondContact N-O 3.41Å; V58-V79 PolarHBondContact O-N 2.83Å; V58-V79 VanDerWaalsContact O-O 3.08Å; T77-V79 HydrophobicContact CG2-CG2 4.39Å; V79-C93 HydrophobicContact CG1-CB 3.47Å; V79-C93 VanDerWaalsContact CG1-CB 3.47Å; V79-I95 HydrophobicContact CB-CG1 4.46Å; V79-I95 HydrophobicContact CG1-CG1 3.8Å; V79-I95 HydrophobicContact CG2-CD1 3.74Å; V79-I95 HydrophobicContact CG2-CG1 3.83Å
80	K	87.4	Confident	82	Confident	142 Å²	142	78.5 Å²	78.5	62%	0.617	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	157.4	-178.9	-57.1	179.3	-175.5	-177.9	0	108.6	K78	K78-K80 HydrophobicContact CG-CG 4.42Å
81	N	87.3	Confident	82.9	Confident	122 Å²	122	72 Å²	72	65%	0.652	38%	0.375	S	S	*	.	S	Bend	trans	60	53.6	177	-162.4	-113.1	0	0	0	111.3	D56	D56-N81 PolarHBondContact O-N 3.27Å; D56-N81 VanDerWaalsContact O-N 3.07Å
82	I	86.6	Confident	83.6	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	37%	0.365	C	S	.	.			trans	-71.5	150	172.6	60.1	151.6	0	0	0	110.8	L52 G55 D56 V58 L84 I91 C93	L52-I82 HydrophobicContact CB-CD1 3.93Å; L52-I82 HydrophobicContact CD1-CD1 3.95Å; L52-I82 HydrophobicContact CD2-CD1 4.29Å; L52-I82 HydrophobicContact CG-CD1 4.28Å; G55-I82 PolarHBondContact N-O 2.67Å; D56-I82 HydrophobicContact CB-CD1 4.46Å; D56-I82 HydrophobicContact CB-CG1 4.23Å; D56-I82 WeakPolarHBondContact O-CG1 3.18Å; D56-I82 PolarHBondContact O-N 2.84Å; D56-I82 VanDerWaalsContact O-N 3.16Å; V58-I82 HydrophobicContact CB-CG2 4.4Å; V58-I82 HydrophobicContact CG1-CD1 3.69Å; V58-I82 HydrophobicContact CG1-CG1 4.31Å; V58-I82 HydrophobicContact CG1-CG2 4.12Å; V58-I82 HydrophobicContact CG2-CG2 3.54Å; I82-L84 HydrophobicContact CD1-CD2 3.93Å; I82-I91 HydrophobicContact CB-CG2 3.93Å; I82-I91 HydrophobicContact CD1-CG2 4.33Å; I82-I91 HydrophobicContact CG2-CG2 3.83Å; I82-C93 HydrophobicContact CG2-CB 3.96Å
83	R	85.8	Confident	84	Confident	159 Å²	159	66.3 Å²	66.3	60%	0.6	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.4	171.8	179.4	172.5	-135.2	-167.5	-0.1	108.7	D54 V85 D92	D54-R83 WeakPolarHBondContact OD2-CA 3.08Å; D54-R83 WeakPolarHBondContact OD2-CG 3.43Å; R83-V85 HydrophobicContact CG-CG1 4.29Å; R83-D92 HydrophobicContact CB-CB 4.29Å; R83-D92 PolarHBondContact N-O 3.08Å; R83-D92 PolarHBondContact O-N 3.35Å
84	L	84.1	Confident	84.1	Confident	21 Å²	21	74 Å²	74	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.1	176.1	-55.7	-178.3	0	0	0	108.8	L42 V44 L52 I82	L42-L84 HydrophobicContact CB-CB 4.27Å; L42-L84 HydrophobicContact CD1-CB 4.32Å; L42-L84 WeakPolarHBondContact O-CD1 3.4Å; V44-L84 HydrophobicContact CB-CD1 4.34Å; V44-L84 HydrophobicContact CB-CD2 3.8Å; V44-L84 HydrophobicContact CG1-CD2 4.27Å; V44-L84 HydrophobicContact CG2-CB 4.14Å; V44-L84 HydrophobicContact CG2-CD1 4.26Å; V44-L84 HydrophobicContact CG2-CD2 3.9Å; V44-L84 HydrophobicContact CG2-CG 4.32Å; L52-L84 HydrophobicContact CB-CD1 4.46Å; L52-L84 HydrophobicContact CB-CD2 3.82Å; L52-L84 VanDerWaalsContact O-CD1 3.3Å; L52-L84 WeakPolarHBondContact O-CD1 3.39Å; I82-L84 HydrophobicContact CD1-CD2 3.93Å
85	V	83.9	Confident	84	Confident	32 Å²	32	69.1 Å²	69.1	19%	0.194	35%	0.354	C	S	.	.			trans	-135.7	150.3	178.8	-62.3	0	0	0	0	109.5	L42 R83 H89 N90 D92	L42-V85 VanDerWaalsContact CD1-C 3.41Å; R83-V85 HydrophobicContact CG-CG1 4.29Å; V85-H89 WeakPolarHBondContact CG2-O 3.3Å; V85-N90 PolarHBondContact N-O 2.76Å; V85-N90 VanDerWaalsContact N-O 3.09Å; V85-N90 CarbonylContact O-C 3.56Å; V85-N90 WeakPolarHBondContact O-CA 3.46Å; V85-N90 PolarHBondContact O-OD1 3.29Å; V85-D92 HydrophobicContact CG1-CB 3.89Å; V85-D92 HydrophobicContact CG2-CB 4.27Å
86	E	78	Confident	83.4	Confident	165 Å²	165	71.5 Å²	71.5	77%	0.771	37%	0.368	S	S	*	.	S	Bend	trans	-80.5	126.8	175.4	-64.9	-171.1	97.2	0	0	110.7	L42	L42-E86 HydrophobicContact CD1-CB 4.4Å; L42-E86 HydrophobicContact CD1-CG 3.44Å; L42-E86 VanDerWaalsContact CD1-CG 3.44Å; L42-E86 VanDerWaalsContact CD2-CD 3.45Å; L42-E86 HydrophobicContact CD2-CG 3.17Å; L42-E86 HydrophobicContact CG-CG 3.89Å
87	G	76.5	Confident	83	Confident	46 Å²	46	72.8 Å²	72.8	47%	0.474	38%	0.382	S	S	.	.	S	Bend	trans	155.2	-163.7	169.3	0	0	0	0	0	115	H89 N90	G87-H89 PolarHBondContact O-N 2.68Å; G87-N90 PolarHBondContact N-OD1 2.9Å; G87-N90 VanDerWaalsContact O-CG 3.25Å; G87-N90 PolarHBondContact O-ND2 2.68Å; G87-N90 VanDerWaalsContact O-ND2 3.15Å; G87-N90 PolarHBondContact O-OD1 3Å
88	D	78.8	Confident	82.3	Confident	102 Å²	102	74.3 Å²	74.3	55%	0.545	39%	0.385	S	S	.	.	S	Bend	trans	-64	-29.8	174.2	-176.3	-110.8	0	0	0	111.8	K104	D88-K104 WeakPolarHBondContact O-CE 3.4Å; D88-K104 IonicContact OD1-NZ 3.71Å; D88-K104 VanDerWaalsContact OD2-CE 3.32Å; D88-K104 WeakPolarHBondContact OD2-CE 3.25Å; D88-K104 IonicContact OD2-NZ 3.77Å; D88-K104 PolarHBondContact OD2-NZ 3.13Å
89	H	80.9	Confident	81.9	Confident	83 Å²	83	70.7 Å²	70.7	38%	0.384	38%	0.376	S	S	.	.	S	Bend	trans	-111.8	97.2	173.7	-59.6	75.8	0	0	0	109.2	V85 G87 I91 K102 L103	V85-H89 WeakPolarHBondContact CG2-O 3.3Å; G87-H89 PolarHBondContact O-N 2.68Å; H89-I91 VanDerWaalsContact C-N 3.25Å; H89-I91 PolarHBondContact O-N 3.19Å; H89-K102 HydrophobicContact CB-CB 3.57Å; H89-K102 PolarHBondContact CD2-O 2.87Å; H89-L103 CarbonylContact C-O 3.46Å; H89-L103 WeakPolarHBondContact CA-O 3.44Å
90	N	82.8	Confident	81.6	Confident	43 Å²	43	75.6 Å²	75.6	23%	0.23	41%	0.408	C	S	.	.			trans	-79.8	-2.3	-172.4	-64.3	-70.5	0	0	0	115	V44 V85 G87 L103	V44-N90 HydrophobicContact CB-CB 4.48Å; V44-N90 HydrophobicContact CG1-CB 3.67Å; V44-N90 HydrophobicContact CG2-CB 3.88Å; V85-N90 PolarHBondContact N-O 2.76Å; V85-N90 VanDerWaalsContact N-O 3.09Å; V85-N90 CarbonylContact O-C 3.56Å; V85-N90 WeakPolarHBondContact O-CA 3.46Å; V85-N90 PolarHBondContact O-OD1 3.29Å; G87-N90 PolarHBondContact N-OD1 2.9Å; G87-N90 VanDerWaalsContact O-CG 3.25Å; G87-N90 PolarHBondContact O-ND2 2.68Å; G87-N90 VanDerWaalsContact O-ND2 3.15Å; G87-N90 PolarHBondContact O-OD1 3Å; N90-L103 PolarHBondContact N-O 2.91Å
91	I	85.9	Confident	81.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.3	-174.9	-58.7	175	0	0	0	108.5	V44 L52 I82 H89 K102 L103 V108	V44-I91 HydrophobicContact CG1-CD1 4.47Å; V44-I91 HydrophobicContact CG1-CG1 4.1Å; L52-I91 HydrophobicContact CD1-CD1 3.36Å; L52-I91 HydrophobicContact CD1-CG1 4.04Å; I82-I91 HydrophobicContact CB-CG2 3.93Å; I82-I91 HydrophobicContact CD1-CG2 4.33Å; I82-I91 HydrophobicContact CG2-CG2 3.83Å; H89-I91 VanDerWaalsContact C-N 3.25Å; H89-I91 PolarHBondContact O-N 3.19Å; I91-K102 CarbonylContact O-C 3.56Å; I91-K102 VanDerWaalsContact O-CA 3.27Å; I91-K102 WeakPolarHBondContact O-CA 3.5Å; I91-L103 HydrophobicContact CB-CB 4.41Å; I91-L103 PolarHBondContact N-O 2.64Å; I91-L103 PolarHBondContact O-N 2.95Å; I91-V108 HydrophobicContact CD1-CB 4.18Å; I91-V108 HydrophobicContact CD1-CG1 4.09Å; I91-V108 HydrophobicContact CD1-CG2 3.16Å
92	D	86.9	Confident	81.1	Confident	43 Å²	43	70.4 Å²	70.4	23%	0.23	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130	168	-168.7	-90.3	0	0	0	108.7	R83 V85 K102	R83-D92 HydrophobicContact CB-CB 4.29Å; R83-D92 PolarHBondContact N-O 3.08Å; R83-D92 PolarHBondContact O-N 3.35Å; V85-D92 HydrophobicContact CG1-CB 3.89Å; V85-D92 HydrophobicContact CG2-CB 4.27Å; D92-K102 HydrophobicContact CB-CG 4.39Å; D92-K102 WeakPolarHBondContact OD2-CE 3.16Å; D92-K102 WeakPolarHBondContact OD2-CG 3.25Å
93	C	84.4	Confident	81	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.3	-177.6	69.2	0	0	0	0	111	V79 I82 P100 M101 L103	V79-C93 HydrophobicContact CG1-CB 3.47Å; V79-C93 VanDerWaalsContact CG1-CB 3.47Å; I82-C93 HydrophobicContact CG2-CB 3.96Å; C93-P100 CarbonylContact O-C 3.4Å; C93-P100 WeakPolarHBondContact O-CA 3.24Å; C93-M101 PolarHBondContact N-O 2.99Å; C93-M101 PolarHBondContact O-N 2.79Å; C93-M101 VanDerWaalsContact O-O 3.1Å; C93-M101 PolarHBondContact SG-O 2.78Å; C93-L103 VanDerWaalsContact SG-CD1 3.56Å
94	K	83.2	Confident	80.9	Confident	163 Å²	163	65.5 Å²	65.5	71%	0.709	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.4	176.7	-170	178.3	178.9	-176.2	0	109.9
95	I	79	Confident	80.8	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.092	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.2	177.8	-56.5	173.5	0	0	0	108.4	L73 V79 G97 F98 G99	L73-I95 HydrophobicContact CD2-CD1 3.62Å; V79-I95 HydrophobicContact CB-CG1 4.46Å; V79-I95 HydrophobicContact CG1-CG1 3.8Å; V79-I95 HydrophobicContact CG2-CD1 3.74Å; V79-I95 HydrophobicContact CG2-CG1 3.83Å; I95-G97 PolarHBondContact O-N 3.23Å; I95-F98 HydrophobicContact CB-CB 4.11Å; I95-F98 HydrophobicContact CG2-CB 4.21Å; I95-F98 HydrophobicContact CG2-CD2 3.82Å; I95-F98 HydrophobicContact CG2-CG 4.42Å; I95-F98 PolarHBondContact O-N 3.4Å; I95-F98 VanDerWaalsContact O-N 3.13Å; I95-G99 PolarHBondContact N-O 2.9Å; I95-G99 PolarHBondContact O-N 2.91Å
96	D	75.6	Confident	80.8	Confident	167 Å²	167	69.4 Å²	69.4	89%	0.893	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	122.8	175.2	-161	-112	0	0	0	109.8
97	G	75.5	Confident	81.2	Confident	79 Å²	79	64.5 Å²	64.5	81%	0.814	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-13	-175.2	0	0	0	0	0	116.7	I95	I95-G97 PolarHBondContact O-N 3.23Å
98	F	71.7	Confident	81.7	Confident	73 Å²	73	62.3 Å²	62.3	32%	0.32	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-24.9	174.7	-72.4	-97	0	0	0	113.5	V66 L73 I95	V66-F98 HydrophobicContact CG2-CD1 4.17Å; V66-F98 HydrophobicContact CG2-CE1 4.13Å; L73-F98 HydrophobicContact CD1-CD1 3.68Å; L73-F98 HydrophobicContact CD1-CE1 3.55Å; L73-F98 HydrophobicContact CD1-CE2 4.42Å; L73-F98 HydrophobicContact CD1-CG 4.17Å; L73-F98 HydrophobicContact CD1-CZ 3.94Å; I95-F98 HydrophobicContact CB-CB 4.11Å; I95-F98 HydrophobicContact CG2-CB 4.21Å; I95-F98 HydrophobicContact CG2-CD2 3.82Å; I95-F98 HydrophobicContact CG2-CG 4.42Å; I95-F98 PolarHBondContact O-N 3.4Å; I95-F98 VanDerWaalsContact O-N 3.13Å
99	G	79.4	Confident	82.1	Confident	22 Å²	22	61.8 Å²	61.8	23%	0.227	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-169	-179.2	0	0	0	0	0	113.8	I95 M101	I95-G99 PolarHBondContact N-O 2.9Å; I95-G99 PolarHBondContact O-N 2.91Å; G99-M101 PolarHBondContact O-N 2.7Å
100	P	79.8	Confident	82.2	Confident	106 Å²	106	61.2 Å²	61.2	69%	0.688	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	123	171.7	29.3	-32.5	0	0	0	109.4	C93	C93-P100 CarbonylContact O-C 3.4Å; C93-P100 WeakPolarHBondContact O-CA 3.24Å
101	M	81.9	Confident	81.8	Confident	38 Å²	38	65.4 Å²	65.4	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.3	-177.7	-169.3	166.5	-171.5	0	0	110	V66 L73 C93 G99 L103	V66-M101 HydrophobicContact CB-CE 4.35Å; V66-M101 HydrophobicContact CG1-CE 3.95Å; V66-M101 HydrophobicContact CG1-SD 4.39Å; V66-M101 HydrophobicContact CG2-CE 3.91Å; V66-M101 HydrophobicContact CG2-SD 4.18Å; L73-M101 HydrophobicContact CD1-SD 4.12Å; L73-M101 HydrophobicContact CD2-SD 4.3Å; C93-M101 PolarHBondContact N-O 2.99Å; C93-M101 PolarHBondContact O-N 2.79Å; C93-M101 VanDerWaalsContact O-O 3.1Å; C93-M101 PolarHBondContact SG-O 2.78Å; G99-M101 PolarHBondContact O-N 2.7Å; M101-L103 HydrophobicContact CE-CD2 4.34Å; M101-L103 HydrophobicContact CG-CD2 4.49Å; M101-L103 HydrophobicContact SD-CD2 4.44Å
102	K	83	Confident	81.6	Confident	116 Å²	116	68.7 Å²	68.7	50%	0.504	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.6	172.9	-59.2	-171.9	178.9	-167.4	0	109.6	H89 I91 D92	H89-K102 HydrophobicContact CB-CB 3.57Å; H89-K102 PolarHBondContact CD2-O 2.87Å; I91-K102 CarbonylContact O-C 3.56Å; I91-K102 VanDerWaalsContact O-CA 3.27Å; I91-K102 WeakPolarHBondContact O-CA 3.5Å; D92-K102 HydrophobicContact CB-CG 4.39Å; D92-K102 WeakPolarHBondContact OD2-CE 3.16Å; D92-K102 WeakPolarHBondContact OD2-CG 3.25Å
103	L	84.6	Confident	81.3	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	154.7	-179.5	-64.1	164.7	0	0	0	109.4	I60 L64 H89 N90 I91 C93 M101 V108	I60-L103 HydrophobicContact CD1-CD1 3.54Å; I60-L103 HydrophobicContact CD1-CD2 4.23Å; I60-L103 HydrophobicContact CD1-CG 4.49Å; L64-L103 HydrophobicContact CD1-CD2 3.74Å; H89-L103 CarbonylContact C-O 3.46Å; H89-L103 WeakPolarHBondContact CA-O 3.44Å; N90-L103 PolarHBondContact N-O 2.91Å; I91-L103 HydrophobicContact CB-CB 4.41Å; I91-L103 PolarHBondContact N-O 2.64Å; I91-L103 PolarHBondContact O-N 2.95Å; C93-L103 VanDerWaalsContact SG-CD1 3.56Å; M101-L103 HydrophobicContact CE-CD2 4.34Å; M101-L103 HydrophobicContact CG-CD2 4.49Å; M101-L103 HydrophobicContact SD-CD2 4.44Å; L103-V108 HydrophobicContact CD1-CG1 4.22Å
104	K	84.2	Confident	81.1	Confident	53 Å²	53	73.9 Å²	73.9	23%	0.23	39%	0.391	C	S	.	.			trans	-89.7	140.5	173.4	178.6	167.4	-92.6	-161.5	0	109.1	D88 E106 F107	D88-K104 WeakPolarHBondContact O-CE 3.4Å; D88-K104 IonicContact OD1-NZ 3.71Å; D88-K104 VanDerWaalsContact OD2-CE 3.32Å; D88-K104 WeakPolarHBondContact OD2-CE 3.25Å; D88-K104 IonicContact OD2-NZ 3.77Å; D88-K104 PolarHBondContact OD2-NZ 3.13Å; K104-E106 VanDerWaalsContact CD-OE2 3.29Å; K104-E106 WeakPolarHBondContact CD-OE2 3.48Å; K104-E106 HydrophobicContact CG-CB 4.2Å; K104-E106 HydrophobicContact CG-CG 4.21Å; K104-E106 PolarHBondContact O-N 3.49Å; K104-E106 VanDerWaalsContact O-N 3.13Å; K104-F107 HydrophobicContact CB-CD2 3.94Å; K104-F107 HydrophobicContact CB-CE2 4.16Å; K104-F107 HydrophobicContact CD-CE2 4.2Å; K104-F107 HydrophobicContact CG-CD2 4.48Å; K104-F107 HydrophobicContact CG-CE2 4.43Å; K104-F107 PolarHBondContact O-N 3.15Å; K104-F107 VanDerWaalsContact O-N 3.1Å
105	S	81.3	Confident	81	Confident	15 Å²	15	68.6 Å²	68.6	11%	0.105	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-63.1	-19.7	-175.5	60.7	0	0	0	0	113.8	V44 K45 D46 A47 F107 V108	V44-S105 VanDerWaalsContact CG1-CB 3.42Å; K45-S105 WeakPolarHBondContact O-CB 3.37Å; K45-S105 PolarHBondContact O-OG 3Å; D46-S105 CarbonylContact C-O 3.59Å; D46-S105 WeakPolarHBondContact CA-O 3.12Å; A47-S105 PolarHBondContact N-O 3.34Å; S105-F107 VanDerWaalsContact C-N 3.26Å; S105-F107 PolarHBondContact O-N 3.17Å; S105-V108 VanDerWaalsContact O-CG2 3.27Å; S105-V108 WeakPolarHBondContact O-CG2 3.36Å
106	E	84.6	Confident	81.1	Confident	120 Å²	120	71.8 Å²	71.8	56%	0.561	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12.8	174.9	-60.9	-179.8	79.9	0	0	114.7	A47 K104	A47-E106 WeakPolarHBondContact CB-O 3.31Å; K104-E106 VanDerWaalsContact CD-OE2 3.29Å; K104-E106 WeakPolarHBondContact CD-OE2 3.48Å; K104-E106 HydrophobicContact CG-CB 4.2Å; K104-E106 HydrophobicContact CG-CG 4.21Å; K104-E106 PolarHBondContact O-N 3.49Å; K104-E106 VanDerWaalsContact O-N 3.13Å
107	F	85.2	Confident	81.5	Confident	61 Å²	61	65.5 Å²	65.5	27%	0.268	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-113.4	3.7	-177.2	-58.5	-64.3	0	0	0	114.7	I61 K62 L64 K104 S105	I61-F107 VanDerWaalsContact CG1-O 3.3Å; I61-F107 WeakPolarHBondContact CG1-O 3.3Å; I61-F107 PolarHBondContact N-O 2.78Å; K62-F107 HydrophobicContact CB-CD1 4.05Å; K62-F107 HydrophobicContact CD-CD1 4.15Å; K62-F107 HydrophobicContact CD-CE1 4.15Å; L64-F107 HydrophobicContact CD1-CB 3.99Å; L64-F107 HydrophobicContact CD1-CG 4.36Å; L64-F107 HydrophobicContact CD2-CD1 4.36Å; L64-F107 HydrophobicContact CD2-CD2 4.25Å; L64-F107 HydrophobicContact CD2-CG 4.14Å; K104-F107 HydrophobicContact CB-CD2 3.94Å; K104-F107 HydrophobicContact CB-CE2 4.16Å; K104-F107 HydrophobicContact CD-CE2 4.2Å; K104-F107 HydrophobicContact CG-CD2 4.48Å; K104-F107 HydrophobicContact CG-CE2 4.43Å; K104-F107 PolarHBondContact O-N 3.15Å; K104-F107 VanDerWaalsContact O-N 3.1Å; S105-F107 VanDerWaalsContact C-N 3.26Å; S105-F107 PolarHBondContact O-N 3.17Å
108	V	87.4	Confident	81.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	163.6	177.9	-69.7	0	0	0	0	110.4	D46 A47 L52 V58 T59 I60 I91 L103 S105	D46-V108 VanDerWaalsContact OD1-O 3.11Å; D46-V108 VanDerWaalsContact OD2-CG2 3.23Å; D46-V108 WeakPolarHBondContact OD2-CG2 3.43Å; A47-V108 VanDerWaalsContact CB-O 3.27Å; A47-V108 WeakPolarHBondContact CB-O 3.46Å; A47-V108 PolarHBondContact N-O 3.13Å; L52-V108 HydrophobicContact CD1-CG2 4.24Å; V58-V108 HydrophobicContact CB-CB 4Å; V58-V108 HydrophobicContact CB-CG1 4.28Å; V58-V108 HydrophobicContact CG2-CB 4.14Å; V58-V108 HydrophobicContact CG2-CG1 3.84Å; T59-V108 CarbonylContact O-C 3.41Å; T59-V108 WeakPolarHBondContact O-CA 3.25Å; I60-V108 HydrophobicContact CD1-CG1 3.83Å; I91-V108 HydrophobicContact CD1-CB 4.18Å; I91-V108 HydrophobicContact CD1-CG1 4.09Å; I91-V108 HydrophobicContact CD1-CG2 3.16Å; L103-V108 HydrophobicContact CD1-CG1 4.22Å; S105-V108 VanDerWaalsContact O-CG2 3.27Å; S105-V108 WeakPolarHBondContact O-CG2 3.36Å
109	K	87.5	Confident	82.7	Confident	92 Å²	92	63.8 Å²	63.8	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.2	168.2	-176.4	-176.8	168.7	-168.5	0	111.6	D46 V58 T59 I61 N111	D46-K109 VanDerWaalsContact OD1-CA 3.23Å; D46-K109 WeakPolarHBondContact OD1-CA 3.43Å; D46-K109 WeakPolarHBondContact OD2-CA 3.42Å; D46-K109 PolarHBondContact OD2-N 2.82Å; V58-K109 CarbonylContact C-O 3.49Å; V58-K109 VanDerWaalsContact CA-O 3.28Å; V58-K109 WeakPolarHBondContact CA-O 3.13Å; T59-K109 PolarHBondContact N-O 3.09Å; T59-K109 PolarHBondContact O-N 3.41Å; I61-K109 HydrophobicContact CG2-CB 3.47Å; I61-K109 VanDerWaalsContact CG2-CB 3.47Å; K109-N111 PolarHBondContact O-N 3.39Å
110	K	83.1	Confident	83	Confident	71 Å²	71	67.3 Å²	67.3	31%	0.309	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	130.9	167.6	-163.6	-175.5	-178	175.1	0	111.5	D46 N50 L51 L52 D56	D46-K110 PolarHBondContact OD2-N 3.41Å; D46-K110 VanDerWaalsContact OD2-N 3.08Å; N50-K110 HydrophobicContact CB-CB 3.76Å; N50-K110 HydrophobicContact CB-CD 4.09Å; L51-K110 PolarHBondContact O-NZ 2.77Å; L52-K110 HydrophobicContact CD2-CB 3.75Å; L52-K110 HydrophobicContact CD2-CD 4.44Å; L52-K110 HydrophobicContact CD2-CG 3.93Å; D56-K110 VanDerWaalsContact CG-CE 3.45Å; D56-K110 VanDerWaalsContact OD1-CE 3.25Å; D56-K110 WeakPolarHBondContact OD1-CE 3.25Å; D56-K110 VanDerWaalsContact OD1-CG 3.24Å; D56-K110 WeakPolarHBondContact OD1-CG 3.05Å; D56-K110 WeakPolarHBondContact OD2-CE 3.45Å; D56-K110 IonicContact OD2-NZ 2.77Å
111	N	73.2	Confident	83.3	Confident	131 Å²	131	63.8 Å²	63.8	70%	0.701	30%	0.299	S	S	*	.			trans	-107.5	0	177.2	171.9	105.2	0	0	0	112.7	S57 K78 K109	S57-N111 PolarHBondContact O-N 3.33Å; K78-N111 PolarHBondContact NZ-ND2 2.69Å; K78-N111 VanDerWaalsContact NZ-ND2 3.19Å; K78-N111 PolarHBondContact NZ-OD1 3.49Å; K109-N111 PolarHBondContact O-N 3.39Å

Retrieved 111 of 111 residues in 210.7 ms (Link to these results)

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