A0A087YD76_POEFO Loading...

Prostate-associated microseminoprotein-like

AlphaFold DB , UniProt , Accession A0A087YD76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 128 aa.

						>A0A087YD76_POEFO|A0A087YD76
MANAREVLLASLLLLGVSLPCFSVYNSGECFFNTKASCEYTGQVYGIGESWITSDCYQCVCMEPFGVGCCDLATKPIDYPEWCEVIRKPDSCTSVAVMRVNHKLPCLWGQGRLRTAGQPWKSDNDPLF
					

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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	57.5	Low	78.5	Confident	239 Å²	239	110.3 Å²	110.3	100%	1.177	61%	0.608	S	S	*	*				0	114.5	0	-66.5	173.5	-160.1	0	0	106.2
2	A	59.6	Low	79	Confident	72 Å²	72	110.7 Å²	110.7	60%	0.595	61%	0.608	S	S	*	*			trans	-69.4	132.6	-179.9	0	0	0	0	0	109.3	V7	A2-V7 HydrophobicContact CB-CG2 3.94Å
3	N	80.2	Confident	79.3	Confident	115 Å²	115	111.7 Å²	111.7	62%	0.615	61%	0.611	S	S	*	*			trans	-68.5	145.4	178.8	-77.6	-27.9	0	0	0	110	R5 E6 V7	N3-R5 PolarHBondContact O-N 2.91Å; N3-E6 PolarHBondContact O-N 3.09Å; N3-V7 PolarHBondContact O-N 3.17Å; N3-V7 VanDerWaalsContact O-N 3.13Å
4	A	81.9	Confident	79.2	Confident	77 Å²	77	112.9 Å²	112.9	64%	0.636	62%	0.615	S	S	*	*	H	α-helix	trans	-52.5	-33	-178.3	0	0	0	0	0	113.3	V7 L8	A4-V7 PolarHBondContact O-N 3.5Å; A4-L8 WeakPolarHBondContact O-CB 3.41Å; A4-L8 WeakPolarHBondContact O-CG 3.18Å; A4-L8 PolarHBondContact O-N 2.99Å
5	R	81.8	Confident	78.8	Confident	196 Å²	196	112.5 Å²	112.5	74%	0.74	61%	0.612	S	S	*	*	H	α-helix	trans	-66.1	-37.9	175.2	-173.4	177.3	173.9	-177.2	-1.9	113.1	N3 L9	N3-R5 PolarHBondContact O-N 2.91Å; R5-L9 HydrophobicContact CG-CD1 4.22Å; R5-L9 WeakPolarHBondContact O-CB 3.44Å; R5-L9 WeakPolarHBondContact O-CG 3.35Å; R5-L9 PolarHBondContact O-N 2.91Å
6	E	79.8	Confident	78.4	Confident	129 Å²	129	108.2 Å²	108.2	60%	0.603	60%	0.601	S	S	*	*	H	α-helix	trans	-73.1	-37.1	177.1	-65.7	-157.6	165.3	0	0	111.7	N3 L9 A10	N3-E6 PolarHBondContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 2.85Å; E6-A10 VanDerWaalsContact O-CB 3.31Å; E6-A10 WeakPolarHBondContact O-CB 3.43Å; E6-A10 PolarHBondContact O-N 2.02Å
7	V	83.3	Confident	77.8	Confident	75 Å²	75	108.7 Å²	108.7	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-63.8	-41.8	174.1	-179.8	0	0	0	0	110.9	A2 N3 A4 S11	A2-V7 HydrophobicContact CB-CG2 3.94Å; N3-V7 PolarHBondContact O-N 3.17Å; N3-V7 VanDerWaalsContact O-N 3.13Å; A4-V7 PolarHBondContact O-N 3.5Å; V7-S11 WeakPolarHBondContact O-CB 3.36Å; V7-S11 PolarHBondContact O-N 2.72Å; V7-S11 PolarHBondContact O-OG 2.92Å
8	L	85	Confident	77	Confident	111 Å²	111	105.8 Å²	105.8	58%	0.581	60%	0.596	S	S	*	*	H	α-helix	trans	-64	-46	175.6	-84.3	161.1	0	0	0	112.5	A4 S11 L12	A4-L8 WeakPolarHBondContact O-CB 3.41Å; A4-L8 WeakPolarHBondContact O-CG 3.18Å; A4-L8 PolarHBondContact O-N 2.99Å; L8-S11 PolarHBondContact O-N 3.28Å; L8-L12 WeakPolarHBondContact O-CD1 3.29Å; L8-L12 WeakPolarHBondContact O-CG 2.93Å; L8-L12 PolarHBondContact O-N 3.03Å
9	L	85.9	Confident	76.1	Confident	95 Å²	95	106.4 Å²	106.4	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-62.1	-45.1	177	-83.4	159.7	0	0	0	111.7	R5 E6 S11 L12 L13	R5-L9 HydrophobicContact CG-CD1 4.22Å; R5-L9 WeakPolarHBondContact O-CB 3.44Å; R5-L9 WeakPolarHBondContact O-CG 3.35Å; R5-L9 PolarHBondContact O-N 2.91Å; E6-L9 PolarHBondContact O-N 2.85Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 3.49Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 2.77Å
10	A	85.6	Confident	75.1	Confident	49 Å²	49	105.4 Å²	105.4	41%	0.405	60%	0.595	S	S	.	*	H	α-helix	trans	-61.6	-40.8	176.5	0	0	0	0	0	111.8	E6 L13 L14	E6-A10 VanDerWaalsContact O-CB 3.31Å; E6-A10 WeakPolarHBondContact O-CB 3.43Å; E6-A10 PolarHBondContact O-N 2.02Å; A10-L13 PolarHBondContact O-N 2.78Å; A10-L14 WeakPolarHBondContact O-CD1 3.32Å; A10-L14 VanDerWaalsContact O-CG 3.26Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 3.19Å
11	S	83.2	Confident	74.2	Confident	55 Å²	55	105.8 Å²	105.8	39%	0.385	60%	0.603	S	S	.	*	H	α-helix	trans	-65.8	-42.9	178.4	-56.6	0	0	0	0	112.3	V7 L8 L9 L14 L15	V7-S11 WeakPolarHBondContact O-CB 3.36Å; V7-S11 PolarHBondContact O-N 2.72Å; V7-S11 PolarHBondContact O-OG 2.92Å; L8-S11 PolarHBondContact O-N 3.28Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.35Å; S11-L14 PolarHBondContact O-N 2.77Å; S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 3.18Å
12	L	84.5	Confident	73.9	Confident	115 Å²	115	102.1 Å²	102.1	60%	0.602	58%	0.581	S	S	*	*	H	α-helix	trans	-64.1	-39.4	176.7	-78.4	159.1	0	0	0	112.1	L8 L9 L15 G16	L8-L12 WeakPolarHBondContact O-CD1 3.29Å; L8-L12 WeakPolarHBondContact O-CG 2.93Å; L8-L12 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-G16 PolarHBondContact O-N 3.32Å
13	L	83.1	Confident	73.5	Confident	124 Å²	124	103 Å²	103	65%	0.649	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-41.1	176	-71.3	168.3	0	0	0	111.7	L9 A10 G16 V17	L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.21Å; L9-L13 PolarHBondContact O-N 2.77Å; A10-L13 PolarHBondContact O-N 2.78Å; L13-G16 PolarHBondContact O-N 3.05Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.29Å; L13-V17 VanDerWaalsContact O-N 3.13Å
14	L	78	Confident	72.2	Confident	128 Å²	128	101.7 Å²	101.7	67%	0.67	58%	0.578	S	S	*	*	H	α-helix	trans	-66.3	-36.6	176.4	-71.7	166.5	0	0	0	112.5	A10 S11 S18	A10-L14 WeakPolarHBondContact O-CD1 3.32Å; A10-L14 VanDerWaalsContact O-CG 3.26Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 3.19Å; S11-L14 PolarHBondContact O-N 2.77Å; L14-S18 PolarHBondContact O-N 2.78Å; L14-S18 PolarHBondContact O-OG 2.87Å
15	L	73.3	Confident	70.6	Confident	108 Å²	108	108.2 Å²	108.2	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-68.7	-40.6	173.6	-73	166	0	0	0	111.6	S11 L12 V17 S18 L19	S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 3.18Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 3.04Å; L15-S18 WeakPolarHBondContact CA-OG 3.47Å; L15-S18 PolarHBondContact O-N 3.44Å; L15-S18 PolarHBondContact O-OG 2.05Å; L15-S18 VanDerWaalsContact O-OG 3.06Å; L15-L19 WeakPolarHBondContact O-CD1 3.29Å; L15-L19 VanDerWaalsContact O-CG 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 2.87Å
16	G	72	Confident	69.4	Low	43 Å²	43	100.6 Å²	100.6	44%	0.443	56%	0.562	S	S	.	*	H	α-helix	trans	-60.1	-38.4	176.7	0	0	0	0	0	113.6	L12 L13 P20	L12-G16 PolarHBondContact O-N 3.32Å; L13-G16 PolarHBondContact O-N 3.05Å; G16-P20 WeakPolarHBondContact O-CD 3.27Å
17	V	68.8	Low	68.4	Low	117 Å²	117	98 Å²	98	71%	0.709	56%	0.558	S	S	*	*	H	α-helix	trans	-78.2	-22.8	-179.8	176.4	0	0	0	0	112.9	L13 L15 P20	L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.29Å; L13-V17 VanDerWaalsContact O-N 3.13Å; L15-V17 VanDerWaalsContact C-N 3.31Å; L15-V17 PolarHBondContact O-N 3.04Å; V17-P20 WeakPolarHBondContact O-CD 3.36Å
18	S	62.8	Low	67.8	Low	57 Å²	57	95.1 Å²	95.1	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-88.5	-22.2	-179.3	46.9	0	0	0	0	114.2	L14 L15 P20 C21	L14-S18 PolarHBondContact O-N 2.78Å; L14-S18 PolarHBondContact O-OG 2.87Å; L15-S18 WeakPolarHBondContact CA-OG 3.47Å; L15-S18 PolarHBondContact O-N 3.44Å; L15-S18 PolarHBondContact O-OG 2.05Å; L15-S18 VanDerWaalsContact O-OG 3.06Å; S18-P20 VanDerWaalsContact C-CD 3.48Å; S18-C21 PolarHBondContact O-N 3.08Å
19	L	59.6	Low	67.7	Low	116 Å²	116	96.5 Å²	96.5	61%	0.607	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-59	-38.9	177.3	-73.9	159.9	0	0	0	116.1	L15 C21 F22	L15-L19 WeakPolarHBondContact O-CD1 3.29Å; L15-L19 VanDerWaalsContact O-CG 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 2.87Å; L19-C21 PolarHBondContact O-N 2.88Å; L19-F22 PolarHBondContact O-N 3.47Å
20	P	57	Low	67.8	Low	86 Å²	86	95.8 Å²	95.8	56%	0.558	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-72.1	-11.3	-178.7	23.3	-27.3	0	0	0	114.3	G16 V17 S18 F22 S23	G16-P20 WeakPolarHBondContact O-CD 3.27Å; V17-P20 WeakPolarHBondContact O-CD 3.36Å; S18-P20 VanDerWaalsContact C-CD 3.48Å; P20-F22 VanDerWaalsContact C-N 3.26Å; P20-F22 PolarHBondContact O-N 2.84Å; P20-S23 WeakPolarHBondContact O-CB 3.46Å; P20-S23 PolarHBondContact O-N 3.36Å; P20-S23 PolarHBondContact O-OG 2.82Å
21	C	54.8	Low	68	Low	114 Å²	114	98.4 Å²	98.4	77%	0.77	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-76.6	-9.4	174.4	-106.6	0	0	0	0	113.8	S18 L19	S18-C21 PolarHBondContact O-N 3.08Å; L19-C21 PolarHBondContact O-N 2.88Å
22	F	51.8	Low	68.4	Low	163 Å²	163	100.2 Å²	100.2	72%	0.715	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-86.3	9.5	168.7	-61.3	-74.1	0	0	0	112.6	L19 P20 V24	L19-F22 PolarHBondContact O-N 3.47Å; P20-F22 VanDerWaalsContact C-N 3.26Å; P20-F22 PolarHBondContact O-N 2.84Å; F22-V24 PolarHBondContact O-N 3.32Å
23	S	50.2	Low	68.6	Low	89 Å²	89	98.5 Å²	98.5	62%	0.622	54%	0.544	S	S	*	.	S	Bend	trans	-51.2	118.4	165.4	42.1	0	0	0	0	107.7	P20 Y25	P20-S23 WeakPolarHBondContact O-CB 3.46Å; P20-S23 PolarHBondContact O-N 3.36Å; P20-S23 PolarHBondContact O-OG 2.82Å; S23-Y25 VanDerWaalsContact C-N 3.3Å; S23-Y25 PolarHBondContact O-N 3.03Å
24	V	53.5	Low	68.8	Low	88 Å²	88	98 Å²	98	53%	0.533	55%	0.546	S	S	.	.			trans	-60.6	94.4	-174.1	-176	0	0	0	0	107.2	F22 N26	F22-V24 PolarHBondContact O-N 3.32Å; V24-N26 HydrophobicContact CG1-CB 4.14Å; V24-N26 PolarHBondContact O-N 3.36Å
25	Y	49.2	Very low	69.1	Low	215 Å²	215	97.6 Å²	97.6	84%	0.843	54%	0.539	S	S	*	.			trans	-70.6	91.9	169.6	-178	-97.2	0	0	0	106.3	S23	S23-Y25 VanDerWaalsContact C-N 3.3Å; S23-Y25 PolarHBondContact O-N 3.03Å
26	N	55.3	Low	69.4	Low	35 Å²	35	95.6 Å²	95.6	19%	0.187	54%	0.538	C	S	.	.			trans	-104.5	116	176.4	-143.2	-11	0	0	0	108.1	V24 G28 D71 L72	V24-N26 HydrophobicContact CG1-CB 4.14Å; V24-N26 PolarHBondContact O-N 3.36Å; N26-G28 PolarHBondContact O-N 2.93Å; N26-D71 PolarHBondContact ND2-O 3.28Å; N26-D71 PolarHBondContact OD1-O 2.81Å; N26-L72 WeakPolarHBondContact ND2-CA 3.18Å
27	S	58.9	Low	70	Confident	75 Å²	75	95.7 Å²	95.7	52%	0.524	53%	0.532	S	S	.	.			trans	-82.7	16.4	173.3	64.3	0	0	0	0	112.1
28	G	70.6	Confident	71.1	Confident	15 Å²	15	90.2 Å²	90.2	16%	0.155	50%	0.499	C	S	.	.	S	Bend	trans	-90.1	165	-177.5	0	0	0	0	0	113.2	N26	N26-G28 PolarHBondContact O-N 2.93Å
29	E	83.1	Confident	72.4	Confident	139 Å²	139	92.6 Å²	92.6	65%	0.65	50%	0.504	S	S	*	.			trans	-70.8	133.3	172.8	-64.6	-176.9	140.2	0	0	109.4	D71	E29-D71 PolarHBondContact O-N 3.44Å
30	C	88.5	Confident	73.9	Confident	80 Å²	80	90.2 Å²	90.2	54%	0.541	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141	176.2	-60.8	0	0	0	0	110.1	C69 C70	C30-C69 CarbonylContact C-O 3.48Å; C30-C69 WeakPolarHBondContact CA-O 3.32Å; C30-C70 HydrophobicContact CB-CB 4.12Å; C30-C70 WeakPolarHBondContact CB-SG 3.38Å; C30-C70 WeakPolarHBondContact SG-CB 3.47Å; C30-C70 CovalentContact SG-SG 2.04Å; C30-C70 PolarHBondContact SG-SG 3.24Å
31	F	90.6	Very high	75.5	Confident	104 Å²	104	91.7 Å²	91.7	46%	0.456	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.5	172.1	69.2	-93.5	0	0	0	110.6	Y57 C69	F31-Y57 HydrophobicContact CD1-CD1 4.16Å; F31-Y57 AromaticContact CD1-CE1 3.94Å; F31-Y57 HydrophobicContact CD1-CE1 3.94Å; F31-Y57 AromaticContact CE1-CD1 3.56Å; F31-Y57 HydrophobicContact CE1-CD1 3.56Å; F31-Y57 AromaticContact CE1-CE1 3.61Å; F31-Y57 HydrophobicContact CE1-CE1 3.61Å; F31-Y57 HydrophobicContact CE1-CG 4.16Å; F31-C69 HydrophobicContact CD1-CB 4.12Å; F31-C69 HydrophobicContact CD2-CB 4.35Å; F31-C69 HydrophobicContact CE1-CB 3.58Å; F31-C69 HydrophobicContact CE2-CB 3.82Å; F31-C69 HydrophobicContact CG-CB 4.49Å; F31-C69 HydrophobicContact CZ-CB 3.41Å; F31-C69 VanDerWaalsContact CZ-CB 3.41Å; F31-C69 PolarHBondContact N-O 3.47Å; F31-C69 PolarHBondContact O-N 2.8Å
32	F	91.8	Very high	77.2	Confident	93 Å²	93	89 Å²	89	41%	0.408	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.8	178.4	-169.3	-95	0	0	0	109.9	T34 M62 F65	F32-T34 HydrophobicContact CD1-CG2 3.62Å; F32-T34 HydrophobicContact CE1-CG2 3.76Å; F32-M62 HydrophobicContact CD2-CE 3.86Å; F32-M62 HydrophobicContact CE2-CB 4.38Å; F32-M62 HydrophobicContact CE2-CE 3.58Å; F32-M62 HydrophobicContact CE2-SD 4.08Å; F32-F65 HydrophobicContact CE1-CB 4.28Å; F32-F65 VanDerWaalsContact CE1-O 3.29Å; F32-F65 WeakPolarHBondContact CE1-O 3.45Å; F32-F65 HydrophobicContact CZ-CB 3.65Å; F32-F65 WeakPolarHBondContact CZ-O 3.5Å
33	N	88.7	Confident	79.2	Confident	79 Å²	79	86.5 Å²	86.5	42%	0.422	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.6	172.7	-172.1	-20.7	0	0	0	108.8	K35 G66 V67	N33-K35 PolarHBondContact O-N 2.95Å; N33-K35 WeakPolarHBondContact OD1-CB 3.49Å; N33-K35 PolarHBondContact OD1-N 2.86Å; N33-G66 CarbonylContact O-C 3.56Å; N33-G66 WeakPolarHBondContact O-CA 3.5Å; N33-V67 PolarHBondContact N-O 2.82Å; N33-V67 PolarHBondContact O-N 3Å
34	T	87.1	Confident	81.1	Confident	113 Å²	113	87.5 Å²	87.5	69%	0.693	48%	0.479	S	S	*	.			trans	-80.2	8.1	-178.6	54.9	0	0	0	0	113.9	F32 A36 F65	F32-T34 HydrophobicContact CD1-CG2 3.62Å; F32-T34 HydrophobicContact CE1-CG2 3.76Å; T34-A36 PolarHBondContact O-N 2.99Å; T34-F65 WeakPolarHBondContact CA-O 3.38Å
35	K	83.3	Confident	83	Confident	121 Å²	121	84.7 Å²	84.7	53%	0.526	46%	0.459	S	S	.	.			trans	-63.6	110.9	168.6	-163.7	-175.1	179.8	-166.1	0	106.5	N33 S37 G66	N33-K35 PolarHBondContact O-N 2.95Å; N33-K35 WeakPolarHBondContact OD1-CB 3.49Å; N33-K35 PolarHBondContact OD1-N 2.86Å; K35-S37 WeakPolarHBondContact CD-OG 3.02Å; K35-S37 WeakPolarHBondContact CE-OG 3.18Å; K35-S37 WeakPolarHBondContact CG-OG 3.08Å; K35-S37 PolarHBondContact O-N 2.84Å; K35-G66 WeakPolarHBondContact O-CA 3.27Å
36	A	80.5	Confident	85.1	Confident	66 Å²	66	76 Å²	76	55%	0.545	44%	0.436	S	S	.	.	S	Bend	trans	-64.2	21.2	-178	0	0	0	0	0	114.5	T34 P64	T34-A36 PolarHBondContact O-N 2.99Å; A36-P64 WeakPolarHBondContact CB-O 3.46Å
37	S	84.8	Confident	86.8	Confident	44 Å²	44	80 Å²	80	31%	0.308	46%	0.456	S	S	.	.	S	Bend	trans	-126	122.8	176.3	64.3	0	0	0	0	109	K35 E39	K35-S37 WeakPolarHBondContact CD-OG 3.02Å; K35-S37 WeakPolarHBondContact CE-OG 3.18Å; K35-S37 WeakPolarHBondContact CG-OG 3.08Å; K35-S37 PolarHBondContact O-N 2.84Å; S37-E39 PolarHBondContact O-N 2.94Å
38	C	90.9	Very high	88.3	Confident	3 Å²	3	79 Å²	79	2%	0.02	46%	0.457	C	S	.	.			trans	-86.2	78.8	173	-62.3	0	0	0	0	110.3	V44 Y45 C61 G66 V67	C38-V44 WeakPolarHBondContact O-CA 3.23Å; C38-Y45 VanDerWaalsContact CB-O 3.29Å; C38-Y45 WeakPolarHBondContact CB-O 2.98Å; C38-Y45 PolarHBondContact O-N 3.43Å; C38-C61 HydrophobicContact CB-CB 3.59Å; C38-C61 WeakPolarHBondContact CB-SG 3.13Å; C38-C61 WeakPolarHBondContact SG-CA 3.41Å; C38-C61 WeakPolarHBondContact SG-CB 3.48Å; C38-C61 CovalentContact SG-SG 2.02Å; C38-C61 PolarHBondContact SG-SG 3.43Å; C38-G66 PolarHBondContact SG-O 2.87Å; C38-V67 HydrophobicContact CB-CG2 4.07Å
39	E	90.9	Very high	89.4	Confident	107 Å²	107	82.9 Å²	82.9	50%	0.5	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.9	177.4	-171.2	-169.5	165.9	0	0	110.2	S37 Q43	S37-E39 PolarHBondContact O-N 2.94Å; E39-Q43 WeakPolarHBondContact CA-O 3.32Å
40	Y	90.3	Very high	89.8	Confident	65 Å²	65	79.5 Å²	79.5	26%	0.255	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	126.1	174.5	178.1	-102.3	0	0	0	109.9	G42 Q43 W51 T53	Y40-G42 PolarHBondContact O-N 2.88Å; Y40-G42 VanDerWaalsContact O-N 3.09Å; Y40-Q43 PolarHBondContact N-O 3.15Å; Y40-Q43 PolarHBondContact O-N 2.04Å; Y40-W51 AromaticContact CD1-CD1 3.52Å; Y40-W51 HydrophobicContact CD1-CG 4.46Å; Y40-W51 AromaticContact CD1-NE1 3.43Å; Y40-W51 AromaticContact CD2-NE1 3.68Å; Y40-W51 AromaticContact CE1-CD1 3.86Å; Y40-W51 AromaticContact CE1-NE1 4Å; Y40-W51 AromaticContact CG-CD1 3.87Å; Y40-W51 AromaticContact CG-CE2 3.99Å; Y40-W51 HydrophobicContact CG-CZ2 4.44Å; Y40-W51 AromaticContact CG-NE1 3.26Å; Y40-W51 VanDerWaalsContact CG-NE1 3.26Å; Y40-T53 HydrophobicContact CD2-CG2 4.48Å; Y40-T53 HydrophobicContact CE1-CG2 4.48Å; Y40-T53 HydrophobicContact CE2-CG2 3.72Å; Y40-T53 WeakPolarHBondContact OH-CA 3.33Å; Y40-T53 WeakPolarHBondContact OH-CB 3.09Å
41	T	90.8	Very high	90	Very high	117 Å²	117	76.7 Å²	76.7	72%	0.718	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	32	179.8	55.6	0	0	0	0	114.7	Q43	T41-Q43 VanDerWaalsContact C-N 3.3Å; T41-Q43 PolarHBondContact O-N 3.28Å
42	G	90.3	Very high	89.9	Confident	59 Å²	59	76.4 Å²	76.4	61%	0.608	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	0.8	-178.1	0	0	0	0	0	114.9	Y40	Y40-G42 PolarHBondContact O-N 2.88Å; Y40-G42 VanDerWaalsContact O-N 3.09Å
43	Q	92.9	Very high	89.8	Confident	109 Å²	109	72.7 Å²	72.7	51%	0.509	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.8	170.6	-176.4	165.8	-11.3	0	0	110.1	E39 Y40 T41 Y45	E39-Q43 WeakPolarHBondContact CA-O 3.32Å; Y40-Q43 PolarHBondContact N-O 3.15Å; Y40-Q43 PolarHBondContact O-N 2.04Å; T41-Q43 VanDerWaalsContact C-N 3.3Å; T41-Q43 PolarHBondContact O-N 3.28Å; Q43-Y45 HydrophobicContact CB-CE2 3.99Å; Q43-Y45 HydrophobicContact CG-CD2 4.45Å; Q43-Y45 HydrophobicContact CG-CE2 3.91Å
44	V	91.9	Very high	89.5	Confident	110 Å²	110	73.3 Å²	73.3	67%	0.667	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.6	175.4	-177.5	0	0	0	0	108.9	C38	C38-V44 WeakPolarHBondContact O-CA 3.23Å
45	Y	92.7	Very high	89.4	Confident	29 Å²	29	72.3 Å²	72.3	11%	0.114	43%	0.429	C	S	.	.			trans	-108.7	138.4	-179.8	-69	-92.2	0	0	0	110.4	C38 Q43 E49 W51	C38-Y45 VanDerWaalsContact CB-O 3.29Å; C38-Y45 WeakPolarHBondContact CB-O 2.98Å; C38-Y45 PolarHBondContact O-N 3.43Å; Q43-Y45 HydrophobicContact CB-CE2 3.99Å; Q43-Y45 HydrophobicContact CG-CD2 4.45Å; Q43-Y45 HydrophobicContact CG-CE2 3.91Å; Y45-E49 VanDerWaalsContact CA-OE2 3.27Å; Y45-E49 WeakPolarHBondContact CA-OE2 3.3Å; Y45-E49 HydrophobicContact CD1-CB 4.08Å; Y45-W51 HydrophobicContact CD1-CD2 4.3Å; Y45-W51 AromaticContact CD1-CE3 3.6Å; Y45-W51 HydrophobicContact CD1-CE3 3.6Å; Y45-W51 HydrophobicContact CD1-CZ3 4.09Å; Y45-W51 HydrophobicContact CD2-CD2 4.21Å; Y45-W51 AromaticContact CD2-CE3 3.89Å; Y45-W51 HydrophobicContact CD2-CE3 3.89Å; Y45-W51 HydrophobicContact CD2-CH2 4.26Å; Y45-W51 AromaticContact CD2-CZ3 3.94Å; Y45-W51 HydrophobicContact CD2-CZ3 3.94Å; Y45-W51 HydrophobicContact CE1-CB 3.83Å; Y45-W51 HydrophobicContact CE1-CD2 4.09Å; Y45-W51 AromaticContact CE1-CE3 3.82Å; Y45-W51 HydrophobicContact CE1-CE3 3.82Å; Y45-W51 HydrophobicContact CE1-CG 4.13Å; Y45-W51 HydrophobicContact CE2-CD2 4.02Å; Y45-W51 HydrophobicContact CE2-CE3 4.13Å; Y45-W51 HydrophobicContact CE2-CG 4.32Å; Y45-W51 HydrophobicContact CG-CD2 4.33Å; Y45-W51 AromaticContact CG-CE3 3.61Å; Y45-W51 HydrophobicContact CG-CE3 3.61Å; Y45-W51 HydrophobicContact CG-CH2 4.39Å; Y45-W51 AromaticContact CG-CZ3 3.66Å; Y45-W51 HydrophobicContact CG-CZ3 3.66Å; Y45-W51 AromaticContact CZ-CD2 3.93Å; Y45-W51 AromaticContact CZ-CG 3.86Å
46	G	92.2	Very high	89.5	Confident	34 Å²	34	66.9 Å²	66.9	35%	0.351	41%	0.406	S	S	.	.			trans	-79.3	167.9	174.5	0	0	0	0	0	113.1	G48 E49 C61	G46-G48 PolarHBondContact O-N 2.91Å; G46-E49 PolarHBondContact N-OE2 3.07Å; G46-E49 WeakPolarHBondContact O-CB 3.49Å; G46-E49 PolarHBondContact O-N 3.05Å; G46-C61 WeakPolarHBondContact O-CB 3.09Å; G46-C61 PolarHBondContact O-SG 3.21Å; G46-C61 VanDerWaalsContact O-SG 3.35Å
47	I	92.6	Very high	89.9	Confident	119 Å²	119	66.5 Å²	66.5	61%	0.61	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	128.3	176.9	-63.9	160.8	0	0	0	110.6	E49 E63	I47-E49 PolarHBondContact O-N 2.03Å; I47-E63 HydrophobicContact CD1-CB 4.49Å; I47-E63 HydrophobicContact CG1-CB 3.71Å; I47-E63 HydrophobicContact CG1-CG 4.35Å
48	G	89.9	Confident	90.2	Very high	53 Å²	53	66.8 Å²	66.8	55%	0.546	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-5.8	177.9	0	0	0	0	0	114.7	G46 C61	G46-G48 PolarHBondContact O-N 2.91Å; G48-C61 PolarHBondContact N-O 3.08Å
49	E	93.4	Very high	90.2	Very high	97 Å²	97	66.8 Å²	66.8	45%	0.453	39%	0.387	S	S	.	.			trans	-69	148.4	172.2	-65	-168.2	147.2	0	0	110.9	Y45 G46 I47 V60 C61	Y45-E49 VanDerWaalsContact CA-OE2 3.27Å; Y45-E49 WeakPolarHBondContact CA-OE2 3.3Å; Y45-E49 HydrophobicContact CD1-CB 4.08Å; G46-E49 PolarHBondContact N-OE2 3.07Å; G46-E49 WeakPolarHBondContact O-CB 3.49Å; G46-E49 PolarHBondContact O-N 3.05Å; I47-E49 PolarHBondContact O-N 2.03Å; E49-V60 WeakPolarHBondContact O-CA 3.3Å; E49-C61 PolarHBondContact O-N 2.84Å
50	S	92.1	Very high	90.3	Very high	67 Å²	67	64 Å²	64	47%	0.469	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.6	-177.9	70	0	0	0	0	111.7	C59	S50-C59 CarbonylContact C-O 3.6Å; S50-C59 WeakPolarHBondContact CA-O 2.96Å; S50-C59 WeakPolarHBondContact CB-O 3.21Å
51	W	92.1	Very high	90.5	Very high	21 Å²	21	61 Å²	61	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164	177	65.7	99.6	0	0	0	110.6	Y40 Y45 C59 C61 V67	Y40-W51 AromaticContact CD1-CD1 3.52Å; Y40-W51 HydrophobicContact CD1-CG 4.46Å; Y40-W51 AromaticContact CD1-NE1 3.43Å; Y40-W51 AromaticContact CD2-NE1 3.68Å; Y40-W51 AromaticContact CE1-CD1 3.86Å; Y40-W51 AromaticContact CE1-NE1 4Å; Y40-W51 AromaticContact CG-CD1 3.87Å; Y40-W51 AromaticContact CG-CE2 3.99Å; Y40-W51 HydrophobicContact CG-CZ2 4.44Å; Y40-W51 AromaticContact CG-NE1 3.26Å; Y40-W51 VanDerWaalsContact CG-NE1 3.26Å; Y45-W51 HydrophobicContact CD1-CD2 4.3Å; Y45-W51 AromaticContact CD1-CE3 3.6Å; Y45-W51 HydrophobicContact CD1-CE3 3.6Å; Y45-W51 HydrophobicContact CD1-CZ3 4.09Å; Y45-W51 HydrophobicContact CD2-CD2 4.21Å; Y45-W51 AromaticContact CD2-CE3 3.89Å; Y45-W51 HydrophobicContact CD2-CE3 3.89Å; Y45-W51 HydrophobicContact CD2-CH2 4.26Å; Y45-W51 AromaticContact CD2-CZ3 3.94Å; Y45-W51 HydrophobicContact CD2-CZ3 3.94Å; Y45-W51 HydrophobicContact CE1-CB 3.83Å; Y45-W51 HydrophobicContact CE1-CD2 4.09Å; Y45-W51 AromaticContact CE1-CE3 3.82Å; Y45-W51 HydrophobicContact CE1-CE3 3.82Å; Y45-W51 HydrophobicContact CE1-CG 4.13Å; Y45-W51 HydrophobicContact CE2-CD2 4.02Å; Y45-W51 HydrophobicContact CE2-CE3 4.13Å; Y45-W51 HydrophobicContact CE2-CG 4.32Å; Y45-W51 HydrophobicContact CG-CD2 4.33Å; Y45-W51 AromaticContact CG-CE3 3.61Å; Y45-W51 HydrophobicContact CG-CE3 3.61Å; Y45-W51 HydrophobicContact CG-CH2 4.39Å; Y45-W51 AromaticContact CG-CZ3 3.66Å; Y45-W51 HydrophobicContact CG-CZ3 3.66Å; Y45-W51 AromaticContact CZ-CD2 3.93Å; Y45-W51 AromaticContact CZ-CG 3.86Å; W51-C59 HydrophobicContact CD2-CB 3.76Å; W51-C59 HydrophobicContact CE3-CB 4.22Å; W51-C59 HydrophobicContact CG-CB 4.3Å; W51-C59 HydrophobicContact CH2-CB 4.05Å; W51-C59 HydrophobicContact CZ2-CB 3.55Å; W51-C59 HydrophobicContact CZ3-CB 4.34Å; W51-C59 PolarHBondContact N-O 2.98Å; W51-C59 PolarHBondContact O-N 2.88Å; W51-C61 HydrophobicContact CZ3-CB 4.16Å; W51-V67 HydrophobicContact CH2-CB 4.23Å; W51-V67 HydrophobicContact CH2-CG1 3.36Å; W51-V67 HydrophobicContact CH2-CG2 3.78Å; W51-V67 HydrophobicContact CZ2-CG1 3.58Å; W51-V67 HydrophobicContact CZ2-CG2 4.38Å; W51-V67 HydrophobicContact CZ3-CG1 4.37Å
52	I	89.2	Confident	90.5	Very high	99 Å²	99	59.2 Å²	59.2	51%	0.508	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.3	175.2	-63.2	171.4	0	0	0	108.2	Y57 L72	I52-Y57 VanDerWaalsContact CA-O 3.3Å; I52-Y57 WeakPolarHBondContact CA-O 3.06Å; I52-L72 HydrophobicContact CD1-CD1 3.78Å; I52-L72 HydrophobicContact CG1-CD1 3.9Å; I52-L72 HydrophobicContact CG2-CD1 4.12Å
53	T	88.3	Confident	90.3	Very high	15 Å²	15	60.8 Å²	60.8	9%	0.092	34%	0.342	C	S	.	.			trans	-77.5	163.4	176	70.2	0	0	0	0	111.2	Y40 D55 C56 Y57	Y40-T53 HydrophobicContact CD2-CG2 4.48Å; Y40-T53 HydrophobicContact CE1-CG2 4.48Å; Y40-T53 HydrophobicContact CE2-CG2 3.72Å; Y40-T53 WeakPolarHBondContact OH-CA 3.33Å; Y40-T53 WeakPolarHBondContact OH-CB 3.09Å; T53-D55 PolarHBondContact O-N 2.84Å; T53-D55 PolarHBondContact OG1-N 3.31Å; T53-C56 PolarHBondContact O-N 3.34Å; T53-C56 PolarHBondContact OG1-N 2.87Å; T53-Y57 PolarHBondContact N-O 3.06Å; T53-Y57 WeakPolarHBondContact OG1-CB 3.27Å; T53-Y57 PolarHBondContact OG1-N 2.85Å
54	S	84.2	Confident	90	Very high	91 Å²	91	59.8 Å²	59.8	64%	0.636	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27	169.9	50	0	0	0	0	112.4	C56 R87	S54-C56 PolarHBondContact O-N 3.03Å; S54-R87 PolarHBondContact O-NH1 2.83Å
55	D	83.6	Confident	89.8	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	8.4	176.8	-59.3	-38.6	0	0	0	113.3	T53 Y57 R87	T53-D55 PolarHBondContact O-N 2.84Å; T53-D55 PolarHBondContact OG1-N 3.31Å; D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 HydrophobicContact CB-CD2 3.85Å; D55-Y57 HydrophobicContact CB-CE2 4.04Å; D55-Y57 WeakPolarHBondContact O-CD2 3.17Å; D55-Y57 PolarHBondContact O-N 2.72Å; D55-R87 VanDerWaalsContact CA-NH2 3.32Å; D55-R87 PolarHBondContact O-NH2 3.06Å
56	C	85.6	Confident	89.7	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.041	34%	0.339	C	S	.	.			trans	62.8	33.3	179	-73.8	0	0	0	0	114.8	T53 S54 L72 R87 C92	T53-C56 PolarHBondContact O-N 3.34Å; T53-C56 PolarHBondContact OG1-N 2.87Å; S54-C56 PolarHBondContact O-N 3.03Å; C56-L72 VanDerWaalsContact O-CB 3.27Å; C56-L72 WeakPolarHBondContact O-CB 3.04Å; C56-L72 PolarHBondContact O-N 2.95Å; C56-R87 PolarHBondContact SG-NH1 2.8Å; C56-C92 HydrophobicContact CB-CB 3.51Å; C56-C92 WeakPolarHBondContact CB-SG 3.07Å; C56-C92 WeakPolarHBondContact SG-CA 3.44Å; C56-C92 WeakPolarHBondContact SG-CB 3.35Å; C56-C92 CovalentContact SG-SG 2.03Å; C56-C92 PolarHBondContact SG-SG 3.08Å
57	Y	88.9	Confident	89.8	Confident	59 Å²	59	59.1 Å²	59.1	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.6	166.6	-71.9	-95.2	0	0	0	110.1	F31 I52 T53 D55 C69 C70 D71	F31-Y57 HydrophobicContact CD1-CD1 4.16Å; F31-Y57 AromaticContact CD1-CE1 3.94Å; F31-Y57 HydrophobicContact CD1-CE1 3.94Å; F31-Y57 AromaticContact CE1-CD1 3.56Å; F31-Y57 HydrophobicContact CE1-CD1 3.56Å; F31-Y57 AromaticContact CE1-CE1 3.61Å; F31-Y57 HydrophobicContact CE1-CE1 3.61Å; F31-Y57 HydrophobicContact CE1-CG 4.16Å; I52-Y57 VanDerWaalsContact CA-O 3.3Å; I52-Y57 WeakPolarHBondContact CA-O 3.06Å; T53-Y57 PolarHBondContact N-O 3.06Å; T53-Y57 WeakPolarHBondContact OG1-CB 3.27Å; T53-Y57 PolarHBondContact OG1-N 2.85Å; D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 HydrophobicContact CB-CD2 3.85Å; D55-Y57 HydrophobicContact CB-CE2 4.04Å; D55-Y57 WeakPolarHBondContact O-CD2 3.17Å; D55-Y57 PolarHBondContact O-N 2.72Å; Y57-C69 HydrophobicContact CD1-CB 4.27Å; Y57-C70 CarbonylContact C-O 2.97Å; Y57-C70 VanDerWaalsContact CA-O 3.3Å; Y57-C70 WeakPolarHBondContact CA-O 3.21Å; Y57-C70 VanDerWaalsContact CD1-C 3.49Å; Y57-D71 HydrophobicContact CD1-CB 4.16Å; Y57-D71 VanDerWaalsContact CD1-N 3.32Å; Y57-D71 HydrophobicContact CE1-CB 3.73Å
58	Q	90.7	Very high	89.8	Confident	49 Å²	49	53.9 Å²	53.9	23%	0.229	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.1	163.9	-175.7	168.3	8.5	0	0	108.7	C69 C70 L72	Q58-C69 CarbonylContact O-C 3.57Å; Q58-C69 WeakPolarHBondContact O-CA 3.33Å; Q58-C70 PolarHBondContact N-O 3.34Å; Q58-C70 PolarHBondContact O-N 2.9Å; Q58-L72 HydrophobicContact CB-CD1 3.89Å; Q58-L72 HydrophobicContact CB-CD2 3.93Å; Q58-L72 HydrophobicContact CB-CG 3.76Å
59	C	91.9	Very high	89.9	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.9	179.2	-63.7	0	0	0	0	110.8	S50 W51 V67 G68 C69	S50-C59 CarbonylContact C-O 3.6Å; S50-C59 WeakPolarHBondContact CA-O 2.96Å; S50-C59 WeakPolarHBondContact CB-O 3.21Å; W51-C59 HydrophobicContact CD2-CB 3.76Å; W51-C59 HydrophobicContact CE3-CB 4.22Å; W51-C59 HydrophobicContact CG-CB 4.3Å; W51-C59 HydrophobicContact CH2-CB 4.05Å; W51-C59 HydrophobicContact CZ2-CB 3.55Å; W51-C59 HydrophobicContact CZ3-CB 4.34Å; W51-C59 PolarHBondContact N-O 2.98Å; W51-C59 PolarHBondContact O-N 2.88Å; C59-V67 HydrophobicContact CB-CG1 3.95Å; C59-G68 CarbonylContact C-O 3.5Å; C59-G68 VanDerWaalsContact CA-O 3.23Å; C59-G68 WeakPolarHBondContact CA-O 3.41Å; C59-C69 HydrophobicContact CB-CB 4.16Å; C59-C69 WeakPolarHBondContact CB-SG 3.08Å; C59-C69 WeakPolarHBondContact SG-CB 3.44Å; C59-C69 CovalentContact SG-SG 2.05Å; C59-C69 PolarHBondContact SG-SG 2.76Å
60	V	93.7	Very high	89.8	Confident	50 Å²	50	48.9 Å²	48.9	30%	0.303	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.8	175.4	-176.3	0	0	0	0	109.1	E49 M62 G68	E49-V60 WeakPolarHBondContact O-CA 3.3Å; V60-M62 PolarHBondContact O-N 3.28Å; V60-G68 PolarHBondContact N-O 3.39Å; V60-G68 PolarHBondContact O-N 2.91Å; V60-G68 VanDerWaalsContact O-N 3.08Å
61	C	93.9	Very high	89.5	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	122.8	172.2	176.4	0	0	0	0	110.6	C38 G46 G48 E49 W51	C38-C61 HydrophobicContact CB-CB 3.59Å; C38-C61 WeakPolarHBondContact CB-SG 3.13Å; C38-C61 WeakPolarHBondContact SG-CA 3.41Å; C38-C61 WeakPolarHBondContact SG-CB 3.48Å; C38-C61 CovalentContact SG-SG 2.02Å; C38-C61 PolarHBondContact SG-SG 3.43Å; G46-C61 WeakPolarHBondContact O-CB 3.09Å; G46-C61 PolarHBondContact O-SG 3.21Å; G46-C61 VanDerWaalsContact O-SG 3.35Å; G48-C61 PolarHBondContact N-O 3.08Å; E49-C61 PolarHBondContact O-N 2.84Å; W51-C61 HydrophobicContact CZ3-CB 4.16Å
62	M	90.5	Very high	89	Confident	79 Å²	79	47 Å²	47	39%	0.389	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	49.4	177.3	-66.8	-177.5	-101.3	0	0	109.6	F32 V60 F65 G66 G68	F32-M62 HydrophobicContact CD2-CE 3.86Å; F32-M62 HydrophobicContact CE2-CB 4.38Å; F32-M62 HydrophobicContact CE2-CE 3.58Å; F32-M62 HydrophobicContact CE2-SD 4.08Å; V60-M62 PolarHBondContact O-N 3.28Å; M62-F65 WeakPolarHBondContact O-CA 3.5Å; M62-F65 VanDerWaalsContact O-CB 3.27Å; M62-F65 WeakPolarHBondContact O-CB 3.48Å; M62-F65 WeakPolarHBondContact O-CD2 3.29Å; M62-F65 PolarHBondContact O-N 3.12Å; M62-G66 CarbonylContact C-O 3.32Å; M62-G66 WeakPolarHBondContact CA-O 3.49Å; M62-G66 PolarHBondContact N-O 3.43Å; M62-G66 PolarHBondContact O-N 2.91Å; M62-G68 VanDerWaalsContact CE-N 3.33Å
63	E	86.1	Confident	88.2	Confident	92 Å²	92	42.4 Å²	42.4	43%	0.43	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.6	173.8	179.4	-172.9	107.6	0	0	110.1	I47	I47-E63 HydrophobicContact CD1-CB 4.49Å; I47-E63 HydrophobicContact CG1-CB 3.71Å; I47-E63 HydrophobicContact CG1-CG 4.35Å
64	P	87.3	Confident	87.4	Confident	87 Å²	87	45.6 Å²	45.6	57%	0.565	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87	3.6	8.1	36.7	-37.5	0	0	0	115.3	A36	A36-P64 WeakPolarHBondContact CB-O 3.46Å
65	F	87.9	Confident	86.9	Confident	148 Å²	148	45.7 Å²	45.7	65%	0.649	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.5	-172.5	-53.1	-72.7	0	0	0	113.1	F32 T34 M62	F32-F65 HydrophobicContact CE1-CB 4.28Å; F32-F65 VanDerWaalsContact CE1-O 3.29Å; F32-F65 WeakPolarHBondContact CE1-O 3.45Å; F32-F65 HydrophobicContact CZ-CB 3.65Å; F32-F65 WeakPolarHBondContact CZ-O 3.5Å; T34-F65 WeakPolarHBondContact CA-O 3.38Å; M62-F65 WeakPolarHBondContact O-CA 3.5Å; M62-F65 VanDerWaalsContact O-CB 3.27Å; M62-F65 WeakPolarHBondContact O-CB 3.48Å; M62-F65 WeakPolarHBondContact O-CD2 3.29Å; M62-F65 PolarHBondContact O-N 3.12Å
66	G	90	Very high	86.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.1	-137	178.2	0	0	0	0	0	112.2	N33 K35 C38 M62	N33-G66 CarbonylContact O-C 3.56Å; N33-G66 WeakPolarHBondContact O-CA 3.5Å; K35-G66 WeakPolarHBondContact O-CA 3.27Å; C38-G66 PolarHBondContact SG-O 2.87Å; M62-G66 CarbonylContact C-O 3.32Å; M62-G66 WeakPolarHBondContact CA-O 3.49Å; M62-G66 PolarHBondContact N-O 3.43Å; M62-G66 PolarHBondContact O-N 2.91Å
67	V	94.8	Very high	86.1	Confident	11 Å²	11	49.3 Å²	49.3	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.8	-172.2	-178.4	0	0	0	0	110.5	N33 C38 W51 C59	N33-V67 PolarHBondContact N-O 2.82Å; N33-V67 PolarHBondContact O-N 3Å; C38-V67 HydrophobicContact CB-CG2 4.07Å; W51-V67 HydrophobicContact CH2-CB 4.23Å; W51-V67 HydrophobicContact CH2-CG1 3.36Å; W51-V67 HydrophobicContact CH2-CG2 3.78Å; W51-V67 HydrophobicContact CZ2-CG1 3.58Å; W51-V67 HydrophobicContact CZ2-CG2 4.38Å; W51-V67 HydrophobicContact CZ3-CG1 4.37Å; C59-V67 HydrophobicContact CB-CG1 3.95Å
68	G	92.2	Very high	85.7	Confident	10 Å²	10	53.1 Å²	53.1	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.4	170.3	0	0	0	0	0	110.4	C59 V60 M62	C59-G68 CarbonylContact C-O 3.5Å; C59-G68 VanDerWaalsContact CA-O 3.23Å; C59-G68 WeakPolarHBondContact CA-O 3.41Å; V60-G68 PolarHBondContact N-O 3.39Å; V60-G68 PolarHBondContact O-N 2.91Å; V60-G68 VanDerWaalsContact O-N 3.08Å; M62-G68 VanDerWaalsContact CE-N 3.33Å
69	C	91.9	Very high	85.1	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.3	-178.6	-65.5	0	0	0	0	110.2	C30 F31 Y57 Q58 C59	C30-C69 CarbonylContact C-O 3.48Å; C30-C69 WeakPolarHBondContact CA-O 3.32Å; F31-C69 HydrophobicContact CD1-CB 4.12Å; F31-C69 HydrophobicContact CD2-CB 4.35Å; F31-C69 HydrophobicContact CE1-CB 3.58Å; F31-C69 HydrophobicContact CE2-CB 3.82Å; F31-C69 HydrophobicContact CG-CB 4.49Å; F31-C69 HydrophobicContact CZ-CB 3.41Å; F31-C69 VanDerWaalsContact CZ-CB 3.41Å; F31-C69 PolarHBondContact N-O 3.47Å; F31-C69 PolarHBondContact O-N 2.8Å; Y57-C69 HydrophobicContact CD1-CB 4.27Å; Q58-C69 CarbonylContact O-C 3.57Å; Q58-C69 WeakPolarHBondContact O-CA 3.33Å; C59-C69 HydrophobicContact CB-CB 4.16Å; C59-C69 WeakPolarHBondContact CB-SG 3.08Å; C59-C69 WeakPolarHBondContact SG-CB 3.44Å; C59-C69 CovalentContact SG-SG 2.05Å; C59-C69 PolarHBondContact SG-SG 2.76Å
70	C	89.8	Confident	84.8	Confident	36 Å²	36	56 Å²	56	24%	0.243	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.1	177.6	-68	0	0	0	0	110.7	C30 Y57 Q58 L72	C30-C70 HydrophobicContact CB-CB 4.12Å; C30-C70 WeakPolarHBondContact CB-SG 3.38Å; C30-C70 WeakPolarHBondContact SG-CB 3.47Å; C30-C70 CovalentContact SG-SG 2.04Å; C30-C70 PolarHBondContact SG-SG 3.24Å; Y57-C70 CarbonylContact C-O 2.97Å; Y57-C70 VanDerWaalsContact CA-O 3.3Å; Y57-C70 WeakPolarHBondContact CA-O 3.21Å; Y57-C70 VanDerWaalsContact CD1-C 3.49Å; Q58-C70 PolarHBondContact N-O 3.34Å; Q58-C70 PolarHBondContact O-N 2.9Å; C70-L72 PolarHBondContact O-N 3Å
71	D	87.3	Confident	84.5	Confident	11 Å²	11	62.3 Å²	62.3	6%	0.059	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	119.8	175	-179.1	5	0	0	0	109.8	N26 E29 Y57 A73 K75	N26-D71 PolarHBondContact ND2-O 3.28Å; N26-D71 PolarHBondContact OD1-O 2.81Å; E29-D71 PolarHBondContact O-N 3.44Å; Y57-D71 HydrophobicContact CD1-CB 4.16Å; Y57-D71 VanDerWaalsContact CD1-N 3.32Å; Y57-D71 HydrophobicContact CE1-CB 3.73Å; D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 3.23Å; D71-K75 WeakPolarHBondContact OD2-CE 3.46Å; D71-K75 IonicContact OD2-NZ 3.85Å; D71-K75 PolarHBondContact OD2-NZ 3.23Å
72	L	80.6	Confident	84.2	Confident	37 Å²	37	68 Å²	68	19%	0.194	34%	0.342	C	S	.	.			trans	-78.6	-9.2	176.5	-76.4	170.1	0	0	0	113.5	N26 I52 C56 Q58 C70 T74 C92	N26-L72 WeakPolarHBondContact ND2-CA 3.18Å; I52-L72 HydrophobicContact CD1-CD1 3.78Å; I52-L72 HydrophobicContact CG1-CD1 3.9Å; I52-L72 HydrophobicContact CG2-CD1 4.12Å; C56-L72 VanDerWaalsContact O-CB 3.27Å; C56-L72 WeakPolarHBondContact O-CB 3.04Å; C56-L72 PolarHBondContact O-N 2.95Å; Q58-L72 HydrophobicContact CB-CD1 3.89Å; Q58-L72 HydrophobicContact CB-CD2 3.93Å; Q58-L72 HydrophobicContact CB-CG 3.76Å; C70-L72 PolarHBondContact O-N 3Å; L72-T74 PolarHBondContact O-N 3.47Å; L72-C92 HydrophobicContact CB-CB 4.28Å
73	A	73.1	Confident	84.2	Confident	2 Å²	2	64.2 Å²	64.2	2%	0.017	32%	0.323	C	S	.	.			trans	-64.2	112.4	-176.5	0	0	0	0	0	110.8	D71 K75 S94	D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 WeakPolarHBondContact OD1-CB 3.33Å; D71-A73 PolarHBondContact OD1-N 3.23Å; A73-K75 HydrophobicContact CB-CG 4.48Å; A73-K75 PolarHBondContact O-N 2.94Å; A73-S94 WeakPolarHBondContact CB-OG 3.48Å
74	T	70.8	Confident	84.3	Confident	83 Å²	83	62.3 Å²	62.3	51%	0.509	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-67.5	106	162.4	48.1	0	0	0	0	108.2	L72 P76 S94	L72-T74 PolarHBondContact O-N 3.47Å; T74-P76 WeakPolarHBondContact O-CD 3.49Å; T74-S94 WeakPolarHBondContact O-CB 2.96Å
75	K	73.9	Confident	84.2	Confident	93 Å²	93	60.5 Å²	60.5	40%	0.404	30%	0.302	S	S	.	.			trans	-86.2	122.7	-179.3	-68.6	175.4	-172.5	169.3	0	109	D71 A73 I77	D71-K75 WeakPolarHBondContact OD2-CE 3.46Å; D71-K75 IonicContact OD2-NZ 3.85Å; D71-K75 PolarHBondContact OD2-NZ 3.23Å; A73-K75 HydrophobicContact CB-CG 4.48Å; A73-K75 PolarHBondContact O-N 2.94Å; K75-I77 PolarHBondContact O-N 3.25Å
76	P	75.8	Confident	84	Confident	41 Å²	41	54.8 Å²	54.8	27%	0.266	28%	0.278	S	S	.	.			trans	-56.1	130.6	170.3	-22.3	32.5	0	0	0	109.9	T74 Y79 V85 A96	T74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-Y79 HydrophobicContact CB-CD1 4.28Å; P76-Y79 WeakPolarHBondContact O-CD1 3.46Å; P76-Y79 WeakPolarHBondContact O-CE1 3.42Å; P76-V85 HydrophobicContact CB-CG2 4.41Å; P76-V85 HydrophobicContact CG-CG1 4.45Å; P76-V85 HydrophobicContact CG-CG2 4.18Å; P76-A96 HydrophobicContact CB-CB 4.16Å; P76-A96 HydrophobicContact CG-CB 4.22Å
77	I	76.6	Confident	83.5	Confident	134 Å²	134	59.3 Å²	59.3	69%	0.687	30%	0.295	S	S	*	.			trans	-104	153.5	174.7	-51.5	176.9	0	0	0	107.1	K75 Y79	K75-I77 PolarHBondContact O-N 3.25Å; I77-Y79 PolarHBondContact O-N 3.33Å
78	D	80.1	Confident	82.6	Confident	139 Å²	139	61.2 Å²	61.2	74%	0.743	30%	0.302	S	S	*	.	S	Bend	trans	60.1	44.3	174	-54.3	-38.6	0	0	0	115.2
79	Y	78.4	Confident	81.6	Confident	96 Å²	96	65.5 Å²	65.5	38%	0.376	33%	0.328	S	S	.	.			trans	-94.5	152	170.5	61.3	-91.8	0	0	0	112	P76 I77 C83 V85 A96	P76-Y79 HydrophobicContact CB-CD1 4.28Å; P76-Y79 WeakPolarHBondContact O-CD1 3.46Å; P76-Y79 WeakPolarHBondContact O-CE1 3.42Å; I77-Y79 PolarHBondContact O-N 3.33Å; Y79-C83 HydrophobicContact CD2-CB 3.79Å; Y79-V85 HydrophobicContact CD1-CG2 3.95Å; Y79-V85 HydrophobicContact CE1-CG2 3.35Å; Y79-V85 HydrophobicContact CE2-CG2 4.37Å; Y79-A96 HydrophobicContact CG-CB 4.22Å
80	P	86.4	Confident	80.9	Confident	17 Å²	17	71.7 Å²	71.7	11%	0.11	36%	0.361	C	S	.	.			trans	-64.9	153.5	178.3	-21.8	33.5	0	0	0	113.7	W82 C83 W108	P80-W82 HydrophobicContact CB-CD2 4.06Å; P80-W82 VanDerWaalsContact CB-CE2 3.45Å; P80-W82 HydrophobicContact CB-CG 4.13Å; P80-W82 HydrophobicContact CB-CZ2 3.93Å; P80-W82 HydrophobicContact CG-CH2 4.48Å; P80-W82 HydrophobicContact CG-CZ2 3.7Å; P80-W82 PolarHBondContact O-N 2.73Å; P80-W82 VanDerWaalsContact O-N 3.11Å; P80-C83 VanDerWaalsContact O-CB 3.29Å; P80-C83 WeakPolarHBondContact O-CB 3.42Å; P80-C83 PolarHBondContact O-N 2.98Å; P80-W108 HydrophobicContact CG-CB 4.21Å; P80-W108 HydrophobicContact CG-CD2 3.39Å; P80-W108 HydrophobicContact CG-CE3 3.32Å; P80-W108 HydrophobicContact CG-CG 3.81Å; P80-W108 HydrophobicContact CG-CH2 4.29Å; P80-W108 HydrophobicContact CG-CZ2 4.37Å; P80-W108 HydrophobicContact CG-CZ3 3.79Å
81	E	88.1	Confident	80.2	Confident	182 Å²	182	71.9 Å²	71.9	85%	0.85	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.7	-178.3	-64.1	-171.1	162.9	0	0	115	C83 R99	E81-C83 PolarHBondContact O-N 3.06Å; E81-R99 PolarHBondContact O-NE 2.92Å
82	W	86.6	Confident	79.9	Confident	120 Å²	120	73.2 Å²	73.2	46%	0.455	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	1.8	174.7	52.6	-93.9	0	0	0	113.7	P80 M98 R99 C106 W108	P80-W82 HydrophobicContact CB-CD2 4.06Å; P80-W82 VanDerWaalsContact CB-CE2 3.45Å; P80-W82 HydrophobicContact CB-CG 4.13Å; P80-W82 HydrophobicContact CB-CZ2 3.93Å; P80-W82 HydrophobicContact CG-CH2 4.48Å; P80-W82 HydrophobicContact CG-CZ2 3.7Å; P80-W82 PolarHBondContact O-N 2.73Å; P80-W82 VanDerWaalsContact O-N 3.11Å; W82-M98 HydrophobicContact CE3-CE 4.11Å; W82-M98 HydrophobicContact CE3-CG 4.15Å; W82-M98 HydrophobicContact CZ3-CE 3.93Å; W82-M98 HydrophobicContact CZ3-CG 3.75Å; W82-M98 HydrophobicContact CZ3-SD 4.31Å; W82-R99 WeakPolarHBondContact O-CB 3.33Å; W82-R99 WeakPolarHBondContact O-CG 3.37Å; W82-R99 PolarHBondContact O-N 3.36Å; W82-C106 WeakPolarHBondContact CZ3-SG 3.26Å; W82-W108 HydrophobicContact CZ2-CE3 4.17Å; W82-W108 HydrophobicContact CZ2-CZ3 4.1Å
83	C	89.5	Confident	79.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	159	172.9	-56.4	0	0	0	0	111.2	Y79 P80 E81 V97 R99 C106	Y79-C83 HydrophobicContact CD2-CB 3.79Å; P80-C83 VanDerWaalsContact O-CB 3.29Å; P80-C83 WeakPolarHBondContact O-CB 3.42Å; P80-C83 PolarHBondContact O-N 2.98Å; E81-C83 PolarHBondContact O-N 3.06Å; C83-V97 CarbonylContact C-O 3.51Å; C83-V97 WeakPolarHBondContact CA-O 3.35Å; C83-V97 WeakPolarHBondContact CB-O 3.49Å; C83-R99 PolarHBondContact O-NE 3.11Å; C83-R99 PolarHBondContact O-NH2 3.47Å; C83-C106 HydrophobicContact CB-CB 3.79Å; C83-C106 WeakPolarHBondContact CB-SG 3.5Å; C83-C106 WeakPolarHBondContact SG-CB 3.42Å; C83-C106 CovalentContact SG-SG 2.01Å; C83-C106 PolarHBondContact SG-SG 3.47Å
84	E	89.3	Confident	80.1	Confident	53 Å²	53	74.9 Å²	74.9	25%	0.248	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.3	168.4	61.8	-179.8	-141.8	0	0	110.7	I86 A96 V97 R99 H102	E84-I86 HydrophobicContact CG-CG2 4.49Å; E84-A96 CarbonylContact O-C 3.53Å; E84-A96 WeakPolarHBondContact O-CA 3.24Å; E84-V97 HydrophobicContact CG-CG2 4.3Å; E84-V97 PolarHBondContact N-O 2.99Å; E84-V97 PolarHBondContact O-N 3.01Å; E84-R99 HydrophobicContact CB-CG 4.1Å; E84-R99 HydrophobicContact CG-CG 3.96Å; E84-R99 IonicContact OE2-CZ 2.85Å; E84-R99 IonicContact OE2-NH1 2.98Å; E84-R99 PolarHBondContact OE2-NH1 3.37Å; E84-H102 IonicContact OE1-CD2 2.84Å; E84-H102 IonicContact OE1-CE1 3.08Å; E84-H102 PolarHBondContact OE1-CE1 2.7Å; E84-H102 IonicContact OE1-NE2 3.8Å; E84-H102 PolarHBondContact OE1-NE2 3.43Å
85	V	85.1	Confident	80.7	Confident	48 Å²	48	72.8 Å²	72.8	29%	0.291	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.9	-179.5	176.7	0	0	0	0	108.9	P76 Y79 V95 A96	P76-V85 HydrophobicContact CB-CG2 4.41Å; P76-V85 HydrophobicContact CG-CG1 4.45Å; P76-V85 HydrophobicContact CG-CG2 4.18Å; Y79-V85 HydrophobicContact CD1-CG2 3.95Å; Y79-V85 HydrophobicContact CE1-CG2 3.35Å; Y79-V85 HydrophobicContact CE2-CG2 4.37Å; V85-V95 WeakPolarHBondContact CA-O 2.94Å; V85-A96 HydrophobicContact CG2-CB 4.41Å
86	I	84.4	Confident	81.3	Confident	29 Å²	29	69 Å²	69	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.9	172.7	65.5	167.9	0	0	0	109.9	E84 S94 V95 V97 L127	E84-I86 HydrophobicContact CG-CG2 4.49Å; I86-S94 CarbonylContact O-C 3.52Å; I86-S94 WeakPolarHBondContact O-CA 3.44Å; I86-V95 HydrophobicContact CD1-CG2 4.41Å; I86-V95 HydrophobicContact CG1-CG2 3.81Å; I86-V95 PolarHBondContact N-O 3.44Å; I86-V95 PolarHBondContact O-N 3.33Å; I86-V97 HydrophobicContact CB-CG2 4.42Å; I86-V97 HydrophobicContact CD1-CB 4.44Å; I86-V97 HydrophobicContact CD1-CG1 3.79Å; I86-V97 HydrophobicContact CD1-CG2 3.84Å; I86-V97 HydrophobicContact CG1-CG1 3.89Å; I86-V97 HydrophobicContact CG1-CG2 3.81Å; I86-V97 HydrophobicContact CG2-CG2 3.8Å; I86-L127 HydrophobicContact CD1-CD1 4.1Å
87	R	79.6	Confident	81.8	Confident	94 Å²	94	67.2 Å²	67.2	36%	0.355	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.6	170.5	-173	153.2	67.6	85.6	-4.2	109.2	S54 D55 C56	S54-R87 PolarHBondContact O-NH1 2.83Å; D55-R87 VanDerWaalsContact CA-NH2 3.32Å; D55-R87 PolarHBondContact O-NH2 3.06Å; C56-R87 PolarHBondContact SG-NH1 2.8Å
88	K	76.1	Confident	82.3	Confident	51 Å²	51	63.3 Å²	63.3	22%	0.222	33%	0.325	C	S	.	.			trans	-67.8	138.6	174.3	-69.1	-173.4	175.5	-172.1	0	109.6	D90 S91 T93 V95	K88-D90 VanDerWaalsContact C-N 3.29Å; K88-D90 PolarHBondContact O-N 3.28Å; K88-S91 WeakPolarHBondContact CB-OG 3.36Å; K88-T93 PolarHBondContact N-O 2.9Å; K88-V95 HydrophobicContact CG-CG2 4.49Å
89	P	70.4	Confident	82.8	Confident	100 Å²	100	62.8 Å²	62.8	65%	0.649	31%	0.313	S	S	*	.	S	Bend	trans	-68.6	-31.8	-177.1	16.7	-19.1	0	0	0	112.7	L127	P89-L127 HydrophobicContact CG-CD2 4.26Å
90	D	76.6	Confident	83.3	Confident	140 Å²	140	64.3 Å²	64.3	75%	0.749	33%	0.332	S	S	*	.	S	Bend	trans	-100.7	0.9	-174.5	36.3	-53.2	0	0	0	112.9	K88	K88-D90 VanDerWaalsContact C-N 3.29Å; K88-D90 PolarHBondContact O-N 3.28Å
91	S	76.6	Confident	83.1	Confident	39 Å²	39	66.5 Å²	66.5	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-146.5	151.1	173.4	88.8	0	0	0	0	113.4	K88 T93	K88-S91 WeakPolarHBondContact CB-OG 3.36Å; S91-T93 PolarHBondContact O-N 3.27Å; S91-T93 VanDerWaalsContact OG-CB 3.29Å; S91-T93 WeakPolarHBondContact OG-CB 3.5Å; S91-T93 PolarHBondContact OG-N 3.38Å; S91-T93 PolarHBondContact OG-OG1 2.93Å; S91-T93 VanDerWaalsContact OG-OG1 3.06Å
92	C	79.4	Confident	83	Confident	39 Å²	39	61 Å²	61	26%	0.264	32%	0.316	S	S	.	.	S	Bend	trans	-74.9	25.8	172.9	-61.8	0	0	0	0	114	C56 L72	C56-C92 HydrophobicContact CB-CB 3.51Å; C56-C92 WeakPolarHBondContact CB-SG 3.07Å; C56-C92 WeakPolarHBondContact SG-CA 3.44Å; C56-C92 WeakPolarHBondContact SG-CB 3.35Å; C56-C92 CovalentContact SG-SG 2.03Å; C56-C92 PolarHBondContact SG-SG 3.08Å; L72-C92 HydrophobicContact CB-CB 4.28Å
93	T	78.2	Confident	82.9	Confident	61 Å²	61	62 Å²	62	37%	0.374	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-101.4	132.4	-179.1	-44.8	0	0	0	0	109.7	K88 S91	K88-T93 PolarHBondContact N-O 2.9Å; S91-T93 PolarHBondContact O-N 3.27Å; S91-T93 VanDerWaalsContact OG-CB 3.29Å; S91-T93 WeakPolarHBondContact OG-CB 3.5Å; S91-T93 PolarHBondContact OG-N 3.38Å; S91-T93 PolarHBondContact OG-OG1 2.93Å; S91-T93 VanDerWaalsContact OG-OG1 3.06Å
94	S	80.8	Confident	82.5	Confident	14 Å²	14	66 Å²	66	10%	0.098	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.3	171.8	-61	0	0	0	0	110.7	A73 T74 I86	A73-S94 WeakPolarHBondContact CB-OG 3.48Å; T74-S94 WeakPolarHBondContact O-CB 2.96Å; I86-S94 CarbonylContact O-C 3.52Å; I86-S94 WeakPolarHBondContact O-CA 3.44Å
95	V	82.3	Confident	82.2	Confident	39 Å²	39	67 Å²	67	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.2	-178.3	-67.7	0	0	0	0	110	V85 I86 K88 V97	V85-V95 WeakPolarHBondContact CA-O 2.94Å; I86-V95 HydrophobicContact CD1-CG2 4.41Å; I86-V95 HydrophobicContact CG1-CG2 3.81Å; I86-V95 PolarHBondContact N-O 3.44Å; I86-V95 PolarHBondContact O-N 3.33Å; K88-V95 HydrophobicContact CG-CG2 4.49Å; V95-V97 HydrophobicContact CG2-CG1 4.04Å
96	A	86.4	Confident	81.9	Confident	12 Å²	12	65.5 Å²	65.5	10%	0.099	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.3	171.2	0	0	0	0	0	108.5	P76 Y79 E84 V85 C106	P76-A96 HydrophobicContact CB-CB 4.16Å; P76-A96 HydrophobicContact CG-CB 4.22Å; Y79-A96 HydrophobicContact CG-CB 4.22Å; E84-A96 CarbonylContact O-C 3.53Å; E84-A96 WeakPolarHBondContact O-CA 3.24Å; V85-A96 HydrophobicContact CG2-CB 4.41Å; A96-C106 HydrophobicContact CB-CB 4.03Å; A96-C106 PolarHBondContact O-N 3.02Å
97	V	87.7	Confident	81.2	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.03	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.7	179.4	-62.8	0	0	0	0	110.6	C83 E84 I86 V95 R99 H102 L104 C106	C83-V97 CarbonylContact C-O 3.51Å; C83-V97 WeakPolarHBondContact CA-O 3.35Å; C83-V97 WeakPolarHBondContact CB-O 3.49Å; E84-V97 HydrophobicContact CG-CG2 4.3Å; E84-V97 PolarHBondContact N-O 2.99Å; E84-V97 PolarHBondContact O-N 3.01Å; I86-V97 HydrophobicContact CB-CG2 4.42Å; I86-V97 HydrophobicContact CD1-CB 4.44Å; I86-V97 HydrophobicContact CD1-CG1 3.79Å; I86-V97 HydrophobicContact CD1-CG2 3.84Å; I86-V97 HydrophobicContact CG1-CG1 3.89Å; I86-V97 HydrophobicContact CG1-CG2 3.81Å; I86-V97 HydrophobicContact CG2-CG2 3.8Å; V95-V97 HydrophobicContact CG2-CG1 4.04Å; V97-R99 PolarHBondContact O-N 3.13Å; V97-H102 HydrophobicContact CG2-CB 4.11Å; V97-L104 WeakPolarHBondContact CA-O 3.48Å; V97-L104 WeakPolarHBondContact CB-O 3.29Å; V97-C106 PolarHBondContact O-SG 3.42Å; V97-C106 VanDerWaalsContact O-SG 3.39Å
98	M	87.4	Confident	80	Confident	51 Å²	51	75.4 Å²	75.4	25%	0.251	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.3	178.8	-66.5	-173.3	75	0	0	110.8	W82 V100 N101 H102 L104 C106	W82-M98 HydrophobicContact CE3-CE 4.11Å; W82-M98 HydrophobicContact CE3-CG 4.15Å; W82-M98 HydrophobicContact CZ3-CE 3.93Å; W82-M98 HydrophobicContact CZ3-CG 3.75Å; W82-M98 HydrophobicContact CZ3-SD 4.31Å; M98-V100 HydrophobicContact CB-CG2 4.13Å; M98-V100 HydrophobicContact CE-CG2 3.8Å; M98-V100 PolarHBondContact O-N 2.01Å; M98-V100 VanDerWaalsContact O-N 3.12Å; M98-N101 CarbonylContact O-C 3.54Å; M98-N101 WeakPolarHBondContact O-CA 3.45Å; M98-N101 PolarHBondContact O-N 3.1Å; M98-N101 VanDerWaalsContact O-O 3.13Å; M98-H102 PolarHBondContact O-CD2 3.2Å; M98-H102 PolarHBondContact O-N 2.83Å; M98-L104 HydrophobicContact CG-CB 4.15Å; M98-L104 PolarHBondContact N-O 2.97Å; M98-L104 HydrophobicContact SD-CB 3.84Å; M98-L104 HydrophobicContact SD-CD1 3.89Å; M98-C106 PolarHBondContact N-SG 3.03Å; M98-C106 VanDerWaalsContact N-SG 3.37Å
99	R	89.1	Confident	78.6	Confident	129 Å²	129	76.3 Å²	76.3	49%	0.487	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.9	176.2	-69.1	179.6	-175.9	-83.3	6.6	113.5	E81 W82 C83 E84 V97 N101 H102	E81-R99 PolarHBondContact O-NE 2.92Å; W82-R99 WeakPolarHBondContact O-CB 3.33Å; W82-R99 WeakPolarHBondContact O-CG 3.37Å; W82-R99 PolarHBondContact O-N 3.36Å; C83-R99 PolarHBondContact O-NE 3.11Å; C83-R99 PolarHBondContact O-NH2 3.47Å; E84-R99 HydrophobicContact CB-CG 4.1Å; E84-R99 HydrophobicContact CG-CG 3.96Å; E84-R99 IonicContact OE2-CZ 2.85Å; E84-R99 IonicContact OE2-NH1 2.98Å; E84-R99 PolarHBondContact OE2-NH1 3.37Å; V97-R99 PolarHBondContact O-N 3.13Å; R99-N101 VanDerWaalsContact C-N 3.32Å; R99-H102 PolarHBondContact O-NE2 3.04Å
100	V	88.6	Confident	77.1	Confident	128 Å²	128	80.9 Å²	80.9	78%	0.776	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.3	178.4	-63.9	0	0	0	0	113.1	M98	M98-V100 HydrophobicContact CB-CG2 4.13Å; M98-V100 HydrophobicContact CE-CG2 3.8Å; M98-V100 PolarHBondContact O-N 2.01Å; M98-V100 VanDerWaalsContact O-N 3.12Å
101	N	83.6	Confident	75.4	Confident	63 Å²	63	78.1 Å²	78.1	34%	0.337	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	94.9	179.7	-174	-3.7	0	0	0	110.8	M98 R99 K103 L104	M98-N101 CarbonylContact O-C 3.54Å; M98-N101 WeakPolarHBondContact O-CA 3.45Å; M98-N101 PolarHBondContact O-N 3.1Å; M98-N101 VanDerWaalsContact O-O 3.13Å; R99-N101 VanDerWaalsContact C-N 3.32Å; N101-K103 PolarHBondContact O-N 3.31Å; N101-K103 VanDerWaalsContact OD1-CB 3.24Å; N101-K103 WeakPolarHBondContact OD1-CB 3.44Å; N101-K103 WeakPolarHBondContact OD1-CG 3.48Å; N101-K103 PolarHBondContact OD1-N 2.97Å; N101-K103 VanDerWaalsContact OD1-N 3.08Å; N101-L104 HydrophobicContact CB-CD1 4.38Å; N101-L104 PolarHBondContact O-N 2.99Å
102	H	86.5	Confident	73.5	Confident	65 Å²	65	87 Å²	87	30%	0.301	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-7.9	-179.7	-59.5	165.4	0	0	0	114.2	E84 V97 M98 R99 L104	E84-H102 IonicContact OE1-CD2 2.84Å; E84-H102 IonicContact OE1-CE1 3.08Å; E84-H102 PolarHBondContact OE1-CE1 2.7Å; E84-H102 IonicContact OE1-NE2 3.8Å; E84-H102 PolarHBondContact OE1-NE2 3.43Å; V97-H102 HydrophobicContact CG2-CB 4.11Å; M98-H102 PolarHBondContact O-CD2 3.2Å; M98-H102 PolarHBondContact O-N 2.83Å; R99-H102 PolarHBondContact O-NE2 3.04Å; H102-L104 VanDerWaalsContact C-N 3.31Å
103	K	82.8	Confident	71.8	Confident	142 Å²	142	91.9 Å²	91.9	62%	0.617	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	-16	173.2	-54.6	-173.8	177.3	-169.3	0	113	N101	N101-K103 PolarHBondContact O-N 3.31Å; N101-K103 VanDerWaalsContact OD1-CB 3.24Å; N101-K103 WeakPolarHBondContact OD1-CB 3.44Å; N101-K103 WeakPolarHBondContact OD1-CG 3.48Å; N101-K103 PolarHBondContact OD1-N 2.97Å; N101-K103 VanDerWaalsContact OD1-N 3.08Å
104	L	82.5	Confident	70	Confident	83 Å²	83	100.2 Å²	100.2	44%	0.435	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	-178.3	-65.2	177.5	0	0	0	110.3	V97 M98 N101 H102	V97-L104 WeakPolarHBondContact CA-O 3.48Å; V97-L104 WeakPolarHBondContact CB-O 3.29Å; M98-L104 HydrophobicContact CG-CB 4.15Å; M98-L104 PolarHBondContact N-O 2.97Å; M98-L104 HydrophobicContact SD-CB 3.84Å; M98-L104 HydrophobicContact SD-CD1 3.89Å; N101-L104 HydrophobicContact CB-CD1 4.38Å; N101-L104 PolarHBondContact O-N 2.99Å; H102-L104 VanDerWaalsContact C-N 3.31Å
105	P	81.4	Confident	68.2	Low	74 Å²	74	104.1 Å²	104.1	48%	0.481	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.4	172.5	29	-33.6	0	0	0	109.9	L107	P105-L107 PolarHBondContact O-N 2.84Å
106	C	80.6	Confident	66.1	Low	18 Å²	18	107 Å²	107	12%	0.122	56%	0.562	C	S	.	*			trans	-76.3	111	170.7	-80.3	0	0	0	0	109.9	W82 C83 A96 V97 M98	W82-C106 WeakPolarHBondContact CZ3-SG 3.26Å; C83-C106 HydrophobicContact CB-CB 3.79Å; C83-C106 WeakPolarHBondContact CB-SG 3.5Å; C83-C106 WeakPolarHBondContact SG-CB 3.42Å; C83-C106 CovalentContact SG-SG 2.01Å; C83-C106 PolarHBondContact SG-SG 3.47Å; A96-C106 HydrophobicContact CB-CB 4.03Å; A96-C106 PolarHBondContact O-N 3.02Å; V97-C106 PolarHBondContact O-SG 3.42Å; V97-C106 VanDerWaalsContact O-SG 3.39Å; M98-C106 PolarHBondContact N-SG 3.03Å; M98-C106 VanDerWaalsContact N-SG 3.37Å
107	L	69.7	Low	63.9	Low	152 Å²	152	109.7 Å²	109.7	80%	0.796	59%	0.59	S	S	*	*			trans	-88.7	108.9	172.6	-59.4	175.1	0	0	0	108.1	P105	P105-L107 PolarHBondContact O-N 2.84Å
108	W	52.7	Low	61.7	Low	178 Å²	178	117.9 Å²	117.9	67%	0.674	63%	0.628	S	S	*	*			trans	-136.5	126.9	171.5	-159	-102.1	0	0	0	109.6	P80 W82	P80-W108 HydrophobicContact CG-CB 4.21Å; P80-W108 HydrophobicContact CG-CD2 3.39Å; P80-W108 HydrophobicContact CG-CE3 3.32Å; P80-W108 HydrophobicContact CG-CG 3.81Å; P80-W108 HydrophobicContact CG-CH2 4.29Å; P80-W108 HydrophobicContact CG-CZ2 4.37Å; P80-W108 HydrophobicContact CG-CZ3 3.79Å; W82-W108 HydrophobicContact CZ2-CE3 4.17Å; W82-W108 HydrophobicContact CZ2-CZ3 4.1Å
109	G	47	Very low	59.5	Low	71 Å²	71	120.6 Å²	120.6	73%	0.732	65%	0.65	S	S	*	*	S	Bend	trans	99.2	79.5	-175.5	0	0	0	0	0	114.7
110	Q	40.3	Very low	57.5	Low	196 Å²	196	122.4 Å²	122.4	92%	0.916	66%	0.656	S	S	*	*			trans	21	107.5	147.4	-130.2	162.4	-6.4	0	0	119.3	R112	Q110-R112 PolarHBondContact O-N 3.28Å
111	G	40.4	Very low	55.3	Low	82 Å²	82	124.1 Å²	124.1	85%	0.845	65%	0.654	S	S	*	*	S	Bend		68.3	14	123.2	0	0	0	0	0	120.3
112	R	36.3	Very low	53.5	Low	224 Å²	224	124.3 Å²	124.3	85%	0.845	66%	0.66	S	S	*	*			trans	-127.8	88.3	164.7	-84.3	-175	170.9	176.4	-1.9	111.2	Q110 R114	Q110-R112 PolarHBondContact O-N 3.28Å; R112-R114 PolarHBondContact O-N 3.3Å
113	L	44.3	Very low	51.6	Low	142 Å²	142	126 Å²	126	74%	0.743	67%	0.671	S	S	*	*			trans	-38.4	85.1	140.5	-166	80.3	0	0	0	110	T115	L113-T115 HydrophobicContact CD1-CG2 3.97Å; L113-T115 HydrophobicContact CD2-CG2 3.81Å; L113-T115 HydrophobicContact CG-CG2 3.7Å; L113-T115 PolarHBondContact O-N 3.35Å
114	R	38.8	Very low	49.9	Very low	236 Å²	236	126.2 Å²	126.2	89%	0.891	68%	0.679	S	S	*	*			trans	-84.8	81.8	147.3	-83.1	-169.5	160.9	160.6	-3.7	105.3	R112 A116	R112-R114 PolarHBondContact O-N 3.3Å; R114-A116 PolarHBondContact O-N 3.03Å
115	T	43	Very low	48.2	Very low	97 Å²	97	128.5 Å²	128.5	60%	0.595	69%	0.692	S	S	*	*			trans	-48	86.5	159.1	19	0	0	0	0	109.3	L113	L113-T115 HydrophobicContact CD1-CG2 3.97Å; L113-T115 HydrophobicContact CD2-CG2 3.81Å; L113-T115 HydrophobicContact CG-CG2 3.7Å; L113-T115 PolarHBondContact O-N 3.35Å
116	A	38.5	Very low	46.3	Very low	100 Å²	100	128.3 Å²	128.3	83%	0.826	69%	0.69	S	S	*	*	S	Bend	trans	-97.6	88	147	0	0	0	0	0	105.6	R114	R114-A116 PolarHBondContact O-N 3.03Å
117	G	41.9	Very low	44.9	Very low	67 Å²	67	130 Å²	130	69%	0.691	70%	0.698	S	S	*	*	S	Bend	trans	69.9	92.8	168.4	0	0	0	0	0	116.1
118	Q	41.5	Very low	43.7	Very low	177 Å²	177	133.7 Å²	133.7	83%	0.827	71%	0.708	S	S	*	*			trans	60.7	132.6	160.8	-57.9	-172.8	-60	0	0	117.7	W120	Q118-W120 PolarHBondContact O-N 3.39Å
119	P	41.1	Very low	43.2	Very low	109 Å²	109	131.5 Å²	131.5	71%	0.708	71%	0.71	S	S	*	*	S	Bend	trans	-55.6	127.1	163.2	-12.4	25.8	0	0	0	107	K121	P119-K121 PolarHBondContact O-N 3.44Å
120	W	47	Very low	43.1	Very low	166 Å²	166	134.7 Å²	134.7	63%	0.629	71%	0.709	S	S	*	*			trans	-44.2	108	177.5	-167.3	72.5	0	0	0	108.3	Q118 S122	Q118-W120 PolarHBondContact O-N 3.39Å; W120-S122 PolarHBondContact O-N 2.91Å; W120-S122 VanDerWaalsContact O-N 3.1Å
121	K	41.6	Very low	43.2	Very low	165 Å²	165	131.3 Å²	131.3	72%	0.717	70%	0.697	S	S	*	*			trans	-67.9	114.3	173.9	-163.7	179.3	-177.8	-168.1	0	103.3	P119 D123	P119-K121 PolarHBondContact O-N 3.44Å; K121-D123 PolarHBondContact O-N 2.8Å
122	S	46.2	Very low	43.4	Very low	67 Å²	67	134.2 Å²	134.2	47%	0.469	69%	0.688	S	S	.	*			trans	-66.5	72.6	170.6	63.6	0	0	0	0	107.5	W120 N124	W120-S122 PolarHBondContact O-N 2.91Å; W120-S122 VanDerWaalsContact O-N 3.1Å; S122-N124 PolarHBondContact O-N 3.13Å
123	D	46.2	Very low	43.8	Very low	99 Å²	99	128.6 Å²	128.6	53%	0.529	68%	0.679	S	S	.	*			trans	-63.8	109.1	149.1	-69.3	-22.1	0	0	0	102.3	K121 D125	K121-D123 PolarHBondContact O-N 2.8Å; D123-D125 PolarHBondContact O-N 3.33Å
124	N	47.6	Very low	43.8	Very low	148 Å²	148	127.7 Å²	127.7	79%	0.791	67%	0.674	S	S	*	*			trans	-66.6	35.9	-174.9	-75.8	-69.9	0	0	0	111.2	S122 P126	S122-N124 PolarHBondContact O-N 3.13Å; N124-P126 WeakPolarHBondContact O-CD 3.27Å
125	D	46.8	Very low	44.1	Very low	130 Å²	130	119.9 Å²	119.9	70%	0.695	66%	0.659	S	S	*	*			trans	-73.7	124	175.2	-79.3	-32.5	0	0	0	107.7	D123 L127	D123-D125 PolarHBondContact O-N 3.33Å; D125-L127 PolarHBondContact O-N 2.77Å
126	P	40.4	Very low	44.2	Very low	70 Å²	70	121.7 Å²	121.7	46%	0.455	66%	0.664	S	S	.	*			trans	-58.6	135.2	178.2	18.1	-24.2	0	0	0	109.3	N124 F128	N124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-F128 WeakPolarHBondContact CB-O 3.31Å; P126-F128 PolarHBondContact O-N 2.96Å; P126-F128 VanDerWaalsContact O-N 3.15Å
127	L	50.7	Low	44.7	Very low	55 Å²	55	123.5 Å²	123.5	29%	0.288	65%	0.65	S	S	.	*			trans	-66.8	-1.7	160.6	-81.9	166.5	0	0	0	112.1	I86 P89 D125	I86-L127 HydrophobicContact CD1-CD1 4.1Å; P89-L127 HydrophobicContact CG-CD2 4.26Å; D125-L127 PolarHBondContact O-N 2.77Å
128	F	45.4	Very low	45	Very low	229 Å²	229	128.6 Å²	128.6	100%	1.004	65%	0.647	S	S	*	*			trans	-157.2	0	171.6	-59.4	-76.3	0	0	0	112.4	P126	P126-F128 WeakPolarHBondContact CB-O 3.31Å; P126-F128 PolarHBondContact O-N 2.96Å; P126-F128 VanDerWaalsContact O-N 3.15Å

Retrieved 128 of 128 residues in 22.1 ms (Link to these results)

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