A0A5K4F589_SCHMA Loading...

CST complex subunit STN1

AlphaFold DB , UniProt , Accession A0A5K4F589, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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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	32.8	Very low	49.3	Very low	229 Å²	229	104.5 Å²	104.5	100%	1.128	62%	0.618	S	S	*	*				0	104.9	0	-68.5	-68	179.1	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 2.86Å; M1-S3 VanDerWaalsContact O-N 3.07Å
2	P	33	Very low	52.3	Low	129 Å²	129	100 Å²	100	84%	0.838	59%	0.587	S	S	*	*			trans	-68	111.3	170.4	29.5	-27.1	0	0	0	105.7	S4	P2-S4 PolarHBondContact O-N 3.09Å
3	S	34.2	Very low	55	Low	96 Å²	96	92.9 Å²	92.9	67%	0.671	54%	0.544	S	S	*	.			trans	-57.7	105.9	166.9	47.1	0	0	0	0	106.3	M1 N5	M1-S3 PolarHBondContact O-N 2.86Å; M1-S3 VanDerWaalsContact O-N 3.07Å; S3-N5 VanDerWaalsContact C-N 3.26Å; S3-N5 PolarHBondContact O-N 3.45Å
4	S	39.7	Very low	57.6	Low	81 Å²	81	93.8 Å²	93.8	57%	0.566	54%	0.538	S	S	*	.			trans	-58	101.8	163.3	54.6	0	0	0	0	105.5	P2 L6	P2-S4 PolarHBondContact O-N 3.09Å; S4-L6 PolarHBondContact O-N 3.43Å; S4-L6 WeakPolarHBondContact OG-CD1 3.48Å
5	N	41.9	Very low	59.8	Low	117 Å²	117	88.4 Å²	88.4	63%	0.626	51%	0.506	S	S	*	.			trans	-60.8	85.6	163.8	-79.6	-30	0	0	0	105.3	S3 D7	S3-N5 VanDerWaalsContact C-N 3.26Å; S3-N5 PolarHBondContact O-N 3.45Å; N5-D7 PolarHBondContact O-N 3.04Å
6	L	44.7	Very low	61.8	Low	94 Å²	94	87.8 Å²	87.8	49%	0.492	50%	0.501	S	S	.	.			trans	-78.5	69.6	173.4	-73.8	156.8	0	0	0	105.4	S4 A8 R34	S4-L6 PolarHBondContact O-N 3.43Å; S4-L6 WeakPolarHBondContact OG-CD1 3.48Å; L6-A8 PolarHBondContact O-N 3.18Å; L6-R34 VanDerWaalsContact CD1-NH2 3.33Å
7	D	52.8	Low	63.6	Low	127 Å²	127	82.8 Å²	82.8	68%	0.679	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-51	124.2	153.8	-82.5	-33.7	0	0	0	105.8	N5 P9	N5-D7 PolarHBondContact O-N 3.04Å; D7-P9 VanDerWaalsContact O-N 3.09Å
8	A	56	Low	65.1	Low	86 Å²	86	79.3 Å²	79.3	71%	0.711	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-50	123.9	-173.2	0	0	0	0	0	108	L6	L6-A8 PolarHBondContact O-N 3.18Å
9	P	60.4	Low	66.4	Low	39 Å²	39	79.3 Å²	79.3	25%	0.253	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.7	-176.8	22.2	-32.4	0	0	0	107.5	D7 L11 I36 S54	D7-P9 VanDerWaalsContact O-N 3.09Å; P9-L11 PolarHBondContact O-N 3.44Å; P9-I36 HydrophobicContact CB-CD1 4.3Å; P9-I36 HydrophobicContact CB-CG2 4.01Å; P9-I36 HydrophobicContact CG-CB 4.49Å; P9-I36 HydrophobicContact CG-CD1 4.11Å; P9-I36 HydrophobicContact CG-CG2 3.47Å; P9-I36 VanDerWaalsContact CG-CG2 3.47Å; P9-S54 WeakPolarHBondContact CB-OG 3.29Å
10	P	68.4	Low	67.5	Low	27 Å²	27	75.4 Å²	75.4	18%	0.175	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-55.9	130.8	-175.3	21.7	-32.4	0	0	0	109.2	M12 S54 C56 T189	P10-M12 PolarHBondContact O-N 3.36Å; P10-M12 VanDerWaalsContact O-N 3.1Å; P10-S54 WeakPolarHBondContact CG-O 3.12Å; P10-C56 PolarHBondContact O-N 2.86Å; P10-T189 HydrophobicContact CB-CG2 3.88Å; P10-T189 HydrophobicContact CG-CG2 3.53Å
11	L	79.1	Confident	68.4	Low	125 Å²	125	73.5 Å²	73.5	65%	0.654	42%	0.417	S	S	*	.	S	Bend	trans	-54.2	-35.9	-175.6	-174.3	73.5	0	0	0	111.3	P9 C56 M57	P9-L11 PolarHBondContact O-N 3.44Å; L11-C56 WeakPolarHBondContact O-CB 3.27Å; L11-M57 HydrophobicContact CD1-CE 4.5Å; L11-M57 HydrophobicContact CD2-CE 4.19Å; L11-M57 HydrophobicContact CG-CE 3.92Å; L11-M57 PolarHBondContact O-N 3.35Å
12	M	85.3	Confident	70.8	Confident	50 Å²	50	70.8 Å²	70.8	25%	0.246	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.9	-177.2	179.5	179	58.9	0	0	109.3	P10 M57 W59 I114	P10-M12 PolarHBondContact O-N 3.36Å; P10-M12 VanDerWaalsContact O-N 3.1Å; M12-M57 CarbonylContact C-O 3.51Å; M12-M57 VanDerWaalsContact CA-O 3.3Å; M12-M57 WeakPolarHBondContact CA-O 3.25Å; M12-M57 HydrophobicContact CB-CB 4.41Å; M12-W59 HydrophobicContact CE-CD2 4.47Å; M12-W59 HydrophobicContact CE-CE3 3.32Å; M12-W59 HydrophobicContact CE-CZ3 3.56Å; M12-W59 HydrophobicContact CG-CB 4.06Å; M12-W59 HydrophobicContact SD-CB 4.04Å; M12-W59 HydrophobicContact SD-CD2 4.31Å; M12-W59 HydrophobicContact SD-CE3 3.64Å; M12-W59 HydrophobicContact SD-CZ3 4.31Å; M12-I114 HydrophobicContact CG-CG2 4.46Å; M12-I114 HydrophobicContact SD-CB 4.37Å; M12-I114 HydrophobicContact SD-CD1 3.6Å; M12-I114 VanDerWaalsContact SD-CD1 3.6Å; M12-I114 HydrophobicContact SD-CG1 3.75Å; M12-I114 HydrophobicContact SD-CG2 3.69Å
13	R	87.1	Confident	73	Confident	8 Å²	8	67.7 Å²	67.7	3%	0.03	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.8	174.1	-179.7	158.9	-104.5	102.1	32.5	111.3	L15 S54 W55 M57 L58 W59 D187 T189	R13-L15 HydrophobicContact CG-CD2 4.15Å; R13-L15 HydrophobicContact CG-CG 4Å; R13-S54 PolarHBondContact NH1-O 3.06Å; R13-S54 VanDerWaalsContact NH1-O 3.12Å; R13-W55 HydrophobicContact CB-CB 3.79Å; R13-W55 HydrophobicContact CB-CG 4.47Å; R13-M57 PolarHBondContact N-O 2.83Å; R13-L58 CarbonylContact O-C 3.53Å; R13-L58 WeakPolarHBondContact O-CA 3.22Å; R13-W59 PolarHBondContact O-N 3.32Å; R13-D187 IonicContact CZ-OD1 3.31Å; R13-D187 IonicContact CZ-OD2 3.94Å; R13-D187 VanDerWaalsContact CZ-OD2 3.31Å; R13-D187 IonicContact NE-OD1 2.97Å; R13-D187 IonicContact NE-OD2 2.67Å; R13-D187 PolarHBondContact NE-OD2 2.97Å; R13-D187 IonicContact NH2-OD1 3.04Å; R13-D187 PolarHBondContact NH2-OD1 3.06Å; R13-D187 IonicContact NH2-OD2 3.66Å; R13-D187 PolarHBondContact NH2-OD2 2.94Å; R13-T189 PolarHBondContact NH1-OG1 3.36Å; R13-T189 VanDerWaalsContact NH1-OG1 3.11Å; R13-T189 VanDerWaalsContact NH2-CG2 3.33Å; R13-T189 PolarHBondContact NH2-OG1 2.96Å
14	K	90.5	Very high	75.1	Confident	105 Å²	105	67.3 Å²	67.3	46%	0.457	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.4	170.4	-169.3	177.4	-173.8	175.9	0	109.2	W59	K14-W59 WeakPolarHBondContact CA-O 3.48Å; K14-W59 HydrophobicContact CB-CB 4.25Å; K14-W59 HydrophobicContact CG-CB 4.48Å; K14-W59 HydrophobicContact CG-CG 4.45Å
15	L	90.8	Very high	76.8	Confident	13 Å²	13	70.5 Å²	70.5	7%	0.068	38%	0.382	C	S	.	.			trans	-137.8	157.1	175.7	-68.6	178.7	0	0	0	109.4	R13 L20 W55 L58 W59 L60	R13-L15 HydrophobicContact CG-CD2 4.15Å; R13-L15 HydrophobicContact CG-CG 4Å; L15-L20 HydrophobicContact CD1-CD2 3.61Å; L15-L20 HydrophobicContact CD1-CG 4.43Å; L15-W55 HydrophobicContact CD1-CE3 4.43Å; L15-W55 HydrophobicContact CD1-CH2 4.26Å; L15-W55 HydrophobicContact CD1-CZ2 4.36Å; L15-W55 HydrophobicContact CD1-CZ3 4.31Å; L15-L58 HydrophobicContact CB-CD2 4.32Å; L15-L58 HydrophobicContact CD1-CD2 3.7Å; L15-L58 HydrophobicContact CG-CD2 4.18Å; L15-W59 PolarHBondContact N-O 3.24Å; L15-L60 WeakPolarHBondContact O-CD2 3.35Å
16	L	92.3	Very high	78.8	Confident	79 Å²	79	68.8 Å²	68.8	41%	0.414	37%	0.369	S	S	.	.			trans	-86	147.1	164.3	-61.8	167.8	0	0	0	109.3	G18 Q19 L20 D84 T86	L16-G18 PolarHBondContact O-N 2.93Å; L16-Q19 HydrophobicContact CB-CG 4.05Å; L16-Q19 WeakPolarHBondContact O-CB 3.4Å; L16-Q19 PolarHBondContact O-N 2.96Å; L16-L20 PolarHBondContact O-N 3.06Å; L16-D84 WeakPolarHBondContact CA-OD2 3.25Å; L16-D84 WeakPolarHBondContact CB-OD2 3.22Å; L16-T86 HydrophobicContact CB-CG2 4.22Å; L16-T86 HydrophobicContact CD1-CG2 4.03Å; L16-T86 HydrophobicContact CD2-CG2 4.42Å; L16-T86 HydrophobicContact CG-CG2 4.45Å
17	I	92.8	Very high	80.9	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-57.2	-43.4	178	-65.5	168.7	0	0	0	109.8	Q19 L20 F21 L60 L82 D84 G87 L89	I17-Q19 PolarHBondContact O-N 3.14Å; I17-L20 WeakPolarHBondContact O-CB 3.49Å; I17-L20 PolarHBondContact O-N 2.86Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE2 4.13Å; I17-F21 WeakPolarHBondContact O-CD2 3.47Å; I17-F21 PolarHBondContact O-N 2.99Å; I17-L60 HydrophobicContact CG1-CD1 4.24Å; I17-L82 WeakPolarHBondContact CD1-O 3.16Å; I17-D84 HydrophobicContact CD1-CB 4.13Å; I17-D84 HydrophobicContact CG1-CB 4.49Å; I17-D84 PolarHBondContact N-OD2 2.95Å; I17-G87 WeakPolarHBondContact CD1-O 3.42Å; I17-L89 HydrophobicContact CD1-CB 3.86Å; I17-L89 HydrophobicContact CG1-CB 4.19Å; I17-L89 HydrophobicContact CG2-CB 4.12Å
18	G	90.2	Very high	82.7	Confident	20 Å²	20	60.6 Å²	60.6	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-33.4	175.5	0	0	0	0	0	112.7	L16 L20 F21 H22 T86	L16-G18 PolarHBondContact O-N 2.93Å; G18-L20 VanDerWaalsContact C-N 3.32Å; G18-L20 PolarHBondContact O-N 3.42Å; G18-F21 PolarHBondContact O-N 3.05Å; G18-H22 WeakPolarHBondContact O-CA 3.34Å; G18-H22 WeakPolarHBondContact O-CB 3.5Å; G18-H22 PolarHBondContact O-N 2.91Å; G18-T86 WeakPolarHBondContact CA-OG1 3.27Å; G18-T86 PolarHBondContact N-OG1 3.34Å
19	Q	89.2	Confident	84.4	Confident	78 Å²	78	61.9 Å²	61.9	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-29.2	177.8	-68.1	173.7	-52.8	0	0	112.9	L16 I17 M39	L16-Q19 HydrophobicContact CB-CG 4.05Å; L16-Q19 WeakPolarHBondContact O-CB 3.4Å; L16-Q19 PolarHBondContact O-N 2.96Å; I17-Q19 PolarHBondContact O-N 3.14Å; Q19-M39 WeakPolarHBondContact O-CE 3.5Å
20	L	88.9	Confident	85.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-71.9	-33.8	178.3	-65	169.3	0	0	0	112	L15 L16 I17 G18 P28 W55 L58	L15-L20 HydrophobicContact CD1-CD2 3.61Å; L15-L20 HydrophobicContact CD1-CG 4.43Å; L16-L20 PolarHBondContact O-N 3.06Å; I17-L20 WeakPolarHBondContact O-CB 3.49Å; I17-L20 PolarHBondContact O-N 2.86Å; G18-L20 VanDerWaalsContact C-N 3.32Å; G18-L20 PolarHBondContact O-N 3.42Å; L20-P28 HydrophobicContact CD2-CG 4.21Å; L20-P28 WeakPolarHBondContact O-CD 3.35Å; L20-W55 HydrophobicContact CD2-CH2 4.17Å; L20-W55 HydrophobicContact CD2-CZ2 3.77Å; L20-L58 HydrophobicContact CD1-CD1 3.77Å; L20-L58 HydrophobicContact CD2-CD1 4.21Å; L20-L58 HydrophobicContact CD2-CD2 4.37Å
21	F	87.6	Confident	86.9	Confident	36 Å²	36	65 Å²	65	16%	0.158	33%	0.327	C	S	.	.	H	α-helix	trans	-123.1	7.6	-167.4	-51	-61.7	0	0	0	114.1	I17 G18 N23 L27 L89 L117 L132 W135	I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE2 4.13Å; I17-F21 WeakPolarHBondContact O-CD2 3.47Å; I17-F21 PolarHBondContact O-N 2.99Å; G18-F21 PolarHBondContact O-N 3.05Å; F21-N23 PolarHBondContact O-N 2.62Å; F21-L27 HydrophobicContact CD1-CD2 3.95Å; F21-L89 HydrophobicContact CE2-CD1 3.79Å; F21-L89 HydrophobicContact CE2-CD2 4.19Å; F21-L89 HydrophobicContact CZ-CD1 4.01Å; F21-L117 HydrophobicContact CZ-CD1 4.33Å; F21-L132 HydrophobicContact CB-CD2 4.25Å; F21-L132 HydrophobicContact CD1-CD2 4.09Å; F21-L132 HydrophobicContact CG-CD2 4.4Å; F21-W135 HydrophobicContact CE1-CB 3.99Å; F21-W135 AromaticContact CE1-CD2 3.73Å; F21-W135 HydrophobicContact CE1-CD2 3.73Å; F21-W135 HydrophobicContact CE1-CE3 4.15Å; F21-W135 AromaticContact CE1-CG 3.66Å; F21-W135 HydrophobicContact CE1-CG 3.66Å; F21-W135 HydrophobicContact CZ-CB 3.79Å; F21-W135 HydrophobicContact CZ-CD2 4.25Å; F21-W135 HydrophobicContact CZ-CE3 4.47Å; F21-W135 AromaticContact CZ-CG 3.99Å; F21-W135 HydrophobicContact CZ-CG 3.99Å
22	H	81.7	Confident	87.3	Confident	172 Å²	172	63.2 Å²	63.2	80%	0.796	32%	0.324	S	S	*	.	S	Bend	trans	-56.2	-37.3	-177.8	-173.2	60.1	0	0	0	113.1	G18	G18-H22 WeakPolarHBondContact O-CA 3.34Å; G18-H22 WeakPolarHBondContact O-CB 3.5Å; G18-H22 PolarHBondContact O-N 2.91Å
23	N	79.1	Confident	87.4	Confident	65 Å²	65	68.3 Å²	68.3	35%	0.348	35%	0.351	S	S	.	.			trans	-120.9	109.6	-178.6	-172.2	-24.5	0	0	0	110.1	F21 D25 K26	F21-N23 PolarHBondContact O-N 2.62Å; N23-D25 PolarHBondContact O-N 3.22Å; N23-D25 WeakPolarHBondContact OD1-CB 3.3Å; N23-D25 PolarHBondContact OD1-N 3.34Å; N23-K26 HydrophobicContact CB-CB 4.25Å; N23-K26 CarbonylContact O-C 3.56Å; N23-K26 PolarHBondContact O-N 3.12Å
24	T	78.1	Confident	87.3	Confident	87 Å²	87	73.3 Å²	73.3	53%	0.534	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.3	-179.9	51.4	0	0	0	0	113.3	L132	T24-L132 HydrophobicContact CG2-CD1 4.3Å
25	D	77.2	Confident	87.2	Confident	148 Å²	148	74.5 Å²	74.5	79%	0.791	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10	178.9	-57.9	-29.9	0	0	0	112.6	N23	N23-D25 PolarHBondContact O-N 3.22Å; N23-D25 WeakPolarHBondContact OD1-CB 3.3Å; N23-D25 PolarHBondContact OD1-N 3.34Å
26	K	83.7	Confident	87.2	Confident	82 Å²	82	74 Å²	74	36%	0.357	38%	0.375	S	S	.	.	S	Bend	trans	-129.5	46.7	-175.6	-63.3	-174.5	-178.6	177	0	112.5	N23	N23-K26 HydrophobicContact CB-CB 4.25Å; N23-K26 CarbonylContact O-C 3.56Å; N23-K26 PolarHBondContact O-N 3.12Å
27	L	88.5	Confident	87.1	Confident	44 Å²	44	70.7 Å²	70.7	23%	0.23	36%	0.357	C	S	.	.			trans	-63.5	154.4	176	-65.2	173.7	0	0	0	112.2	F21 L132 W135	F21-L27 HydrophobicContact CD1-CD2 3.95Å; L27-L132 HydrophobicContact CD2-CD2 4.13Å; L27-W135 HydrophobicContact CB-CZ2 4.38Å; L27-W135 HydrophobicContact CD1-CZ2 4.34Å
28	P	91	Very high	87	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.032	36%	0.361	C	S	.	.			trans	-55.7	139.1	172.2	-25.2	34.5	0	0	0	112.2	L20 W37 E38 M39 W55 L117	L20-P28 HydrophobicContact CD2-CG 4.21Å; L20-P28 WeakPolarHBondContact O-CD 3.35Å; P28-W37 HydrophobicContact CB-CE3 3.65Å; P28-W37 HydrophobicContact CB-CZ3 4.1Å; P28-W37 WeakPolarHBondContact O-CZ3 3.37Å; P28-E38 CarbonylContact C-O 3.52Å; P28-E38 WeakPolarHBondContact CA-O 3.31Å; P28-M39 HydrophobicContact CG-SD 4.13Å; P28-W55 HydrophobicContact CB-CH2 4.05Å; P28-W55 HydrophobicContact CB-CZ2 3.94Å; P28-W55 HydrophobicContact CG-CH2 4.12Å; P28-W55 HydrophobicContact CG-CZ2 4.1Å; P28-L117 HydrophobicContact CB-CD2 4.02Å; P28-L117 HydrophobicContact CG-CD2 4.07Å
29	I	90.5	Very high	86.8	Confident	113 Å²	113	71.4 Å²	71.4	58%	0.579	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	129.5	178.9	-56.8	175	0	0	0	108.6	W37 E38	I29-W37 WeakPolarHBondContact O-CA 3.44Å; I29-E38 PolarHBondContact N-O 2.8Å; I29-E38 PolarHBondContact O-N 2.92Å
30	Y	91.7	Very high	86.5	Confident	93 Å²	93	71.3 Å²	71.3	37%	0.365	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.1	176.2	-170.7	-118.4	0	0	0	111.6	Q35 I36 W37	Y30-Q35 WeakPolarHBondContact OH-CA 3.13Å; Y30-I36 WeakPolarHBondContact CD2-O 3.43Å; Y30-W37 AromaticContact CD2-CD1 3.96Å; Y30-W37 AromaticContact CD2-CD2 3.85Å; Y30-W37 HydrophobicContact CD2-CD2 3.85Å; Y30-W37 AromaticContact CD2-CE2 3.55Å; Y30-W37 HydrophobicContact CD2-CE3 4.47Å; Y30-W37 HydrophobicContact CD2-CG 4.1Å; Y30-W37 AromaticContact CD2-CZ2 3.95Å; Y30-W37 HydrophobicContact CD2-CZ2 3.95Å; Y30-W37 AromaticContact CD2-NE1 3.62Å; Y30-W37 HydrophobicContact CG-CD2 4.45Å; Y30-W37 HydrophobicContact CG-CH2 4.37Å; Y30-W37 HydrophobicContact CG-CZ2 4.1Å
31	N	89.4	Confident	85.7	Confident	39 Å²	39	74.5 Å²	74.5	21%	0.209	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	102.6	169.6	-174.8	-38.1	0	0	0	109.2	I33 R34 Q35 I36	N31-I33 VanDerWaalsContact C-N 3.33Å; N31-I33 PolarHBondContact O-N 3.12Å; N31-I33 PolarHBondContact OD1-N 2.82Å; N31-I33 VanDerWaalsContact OD1-N 3.16Å; N31-R34 HydrophobicContact CB-CB 4.46Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 PolarHBondContact OD1-N 2.96Å; N31-Q35 VanDerWaalsContact O-CA 3.28Å; N31-Q35 WeakPolarHBondContact O-CA 3.38Å; N31-Q35 PolarHBondContact O-N 3.34Å; N31-I36 HydrophobicContact CB-CG1 3.99Å; N31-I36 PolarHBondContact N-O 2.77Å; N31-I36 PolarHBondContact O-N 2.88Å
32	S	88.5	Confident	84.6	Confident	87 Å²	87	77.6 Å²	77.6	61%	0.608	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.3	-177.8	56.5	0	0	0	0	113.8	Q35	S32-Q35 PolarHBondContact O-N 3.28Å
33	I	87	Confident	83.6	Confident	157 Å²	157	72.3 Å²	72.3	81%	0.805	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-43.8	179.7	-59.8	173.9	0	0	0	110.1	N31	N31-I33 VanDerWaalsContact C-N 3.33Å; N31-I33 PolarHBondContact O-N 3.12Å; N31-I33 PolarHBondContact OD1-N 2.82Å; N31-I33 VanDerWaalsContact OD1-N 3.16Å
34	R	85.4	Confident	82.4	Confident	113 Å²	113	76.7 Å²	76.7	43%	0.426	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.9	-178.8	-67.8	-178.2	179.4	178	-2.7	113.5	L6 N31 I36	L6-R34 VanDerWaalsContact CD1-NH2 3.33Å; N31-R34 HydrophobicContact CB-CB 4.46Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 PolarHBondContact OD1-N 2.96Å; R34-I36 HydrophobicContact CB-CD1 3.9Å; R34-I36 HydrophobicContact CB-CG1 3.74Å; R34-I36 HydrophobicContact CB-CG2 4.3Å; R34-I36 VanDerWaalsContact O-CG2 3.29Å; R34-I36 WeakPolarHBondContact O-CG2 3.39Å; R34-I36 PolarHBondContact O-N 3.47Å
35	Q	88	Confident	81.2	Confident	129 Å²	129	78.8 Å²	78.8	60%	0.603	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	36	-173.2	-57.1	-174.2	-13	0	0	113.7	Y30 N31 S32	Y30-Q35 WeakPolarHBondContact OH-CA 3.13Å; N31-Q35 VanDerWaalsContact O-CA 3.28Å; N31-Q35 WeakPolarHBondContact O-CA 3.38Å; N31-Q35 PolarHBondContact O-N 3.34Å; S32-Q35 PolarHBondContact O-N 3.28Å
36	I	90.3	Very high	79.8	Confident	4 Å²	4	78.7 Å²	78.7	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.9	-177.4	66.8	179.4	0	0	0	111.4	P9 Y30 N31 R34 E38 W55 C56	P9-I36 HydrophobicContact CB-CD1 4.3Å; P9-I36 HydrophobicContact CB-CG2 4.01Å; P9-I36 HydrophobicContact CG-CB 4.49Å; P9-I36 HydrophobicContact CG-CD1 4.11Å; P9-I36 HydrophobicContact CG-CG2 3.47Å; P9-I36 VanDerWaalsContact CG-CG2 3.47Å; Y30-I36 WeakPolarHBondContact CD2-O 3.43Å; N31-I36 HydrophobicContact CB-CG1 3.99Å; N31-I36 PolarHBondContact N-O 2.77Å; N31-I36 PolarHBondContact O-N 2.88Å; R34-I36 HydrophobicContact CB-CD1 3.9Å; R34-I36 HydrophobicContact CB-CG1 3.74Å; R34-I36 HydrophobicContact CB-CG2 4.3Å; R34-I36 VanDerWaalsContact O-CG2 3.29Å; R34-I36 WeakPolarHBondContact O-CG2 3.39Å; R34-I36 PolarHBondContact O-N 3.47Å; I36-E38 HydrophobicContact CD1-CG 4.05Å; I36-E38 HydrophobicContact CG1-CG 4.12Å; I36-W55 WeakPolarHBondContact CA-O 3.38Å; I36-C56 WeakPolarHBondContact CG2-SG 3.42Å
37	W	91.2	Very high	78.1	Confident	9 Å²	9	82.4 Å²	82.4	3%	0.034	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.3	165.1	-72.4	96.4	0	0	0	110.1	P28 I29 Y30 S54 W55 L117 Q119 W135	P28-W37 HydrophobicContact CB-CE3 3.65Å; P28-W37 HydrophobicContact CB-CZ3 4.1Å; P28-W37 WeakPolarHBondContact O-CZ3 3.37Å; I29-W37 WeakPolarHBondContact O-CA 3.44Å; Y30-W37 AromaticContact CD2-CD1 3.96Å; Y30-W37 AromaticContact CD2-CD2 3.85Å; Y30-W37 HydrophobicContact CD2-CD2 3.85Å; Y30-W37 AromaticContact CD2-CE2 3.55Å; Y30-W37 HydrophobicContact CD2-CE3 4.47Å; Y30-W37 HydrophobicContact CD2-CG 4.1Å; Y30-W37 AromaticContact CD2-CZ2 3.95Å; Y30-W37 HydrophobicContact CD2-CZ2 3.95Å; Y30-W37 AromaticContact CD2-NE1 3.62Å; Y30-W37 HydrophobicContact CG-CD2 4.45Å; Y30-W37 HydrophobicContact CG-CH2 4.37Å; Y30-W37 HydrophobicContact CG-CZ2 4.1Å; W37-S54 CarbonylContact O-C 3.59Å; W37-S54 WeakPolarHBondContact O-CA 3.37Å; W37-W55 HydrophobicContact CB-CD2 3.78Å; W37-W55 HydrophobicContact CB-CE3 4.47Å; W37-W55 HydrophobicContact CB-CG 4.11Å; W37-W55 HydrophobicContact CB-CH2 4.38Å; W37-W55 HydrophobicContact CB-CZ2 3.66Å; W37-W55 VanDerWaalsContact CB-NE1 3.32Å; W37-W55 AromaticContact CD1-NE1 3.85Å; W37-W55 HydrophobicContact CG-CZ2 4.4Å; W37-W55 AromaticContact CG-NE1 3.69Å; W37-W55 PolarHBondContact N-O 3.2Å; W37-W55 PolarHBondContact O-N 3.42Å; W37-L117 HydrophobicContact CD2-CB 4.35Å; W37-L117 HydrophobicContact CD2-CD2 4.08Å; W37-L117 HydrophobicContact CE3-CD2 4.16Å; W37-L117 HydrophobicContact CZ2-CB 4.21Å; W37-L117 HydrophobicContact CZ2-CD2 4.5Å; W37-L117 HydrophobicContact CZ2-CG 4.23Å; W37-L117 WeakPolarHBondContact CZ2-O 2.79Å; W37-L117 HydrophobicContact CZ3-CD2 4.4Å; W37-L117 PolarHBondContact NE1-O 3.08Å; W37-Q119 HydrophobicContact CH2-CB 3.94Å; W37-Q119 HydrophobicContact CH2-CG 4.32Å; W37-W135 AromaticContact CH2-CH2 3.95Å; W37-W135 HydrophobicContact CH2-CH2 3.95Å; W37-W135 AromaticContact CH2-CZ3 3.56Å; W37-W135 HydrophobicContact CH2-CZ3 3.56Å; W37-W135 HydrophobicContact CZ2-CZ3 4.4Å; W37-W135 AromaticContact CZ3-CH2 3.74Å; W37-W135 HydrophobicContact CZ3-CH2 3.74Å; W37-W135 AromaticContact CZ3-CZ3 3.64Å; W37-W135 HydrophobicContact CZ3-CZ3 3.64Å
38	E	89.2	Confident	76.4	Confident	25 Å²	25	85.9 Å²	85.9	12%	0.117	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.5	-179.7	-67.3	-179.4	137.6	0	0	110.5	P28 I29 I36 K52 L53	P28-E38 CarbonylContact C-O 3.52Å; P28-E38 WeakPolarHBondContact CA-O 3.31Å; I29-E38 PolarHBondContact N-O 2.8Å; I29-E38 PolarHBondContact O-N 2.92Å; I36-E38 HydrophobicContact CD1-CG 4.05Å; I36-E38 HydrophobicContact CG1-CG 4.12Å; E38-K52 WeakPolarHBondContact OE1-CE 3.2Å; E38-K52 IonicContact OE1-NZ 2.72Å; E38-K52 PolarHBondContact OE1-NZ 3.06Å; E38-K52 WeakPolarHBondContact OE2-CE 3.46Å; E38-K52 IonicContact OE2-NZ 2.92Å; E38-K52 PolarHBondContact OE2-NZ 3.44Å; E38-L53 CarbonylContact C-O 3.58Å; E38-L53 VanDerWaalsContact CA-O 3.24Å; E38-L53 WeakPolarHBondContact CA-O 3.44Å
39	M	87.3	Confident	74.5	Confident	13 Å²	13	90.3 Å²	90.3	6%	0.064	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.8	175.8	-174.6	177.2	74.3	0	0	110.4	Q19 P28 F41 L53 W55	Q19-M39 WeakPolarHBondContact O-CE 3.5Å; P28-M39 HydrophobicContact CG-SD 4.13Å; M39-F41 PolarHBondContact O-N 3.29Å; M39-L53 HydrophobicContact CE-CD1 4.14Å; M39-L53 PolarHBondContact N-O 2.94Å; M39-L53 PolarHBondContact O-N 3.4Å; M39-W55 HydrophobicContact CB-CH2 3.65Å; M39-W55 HydrophobicContact CB-CZ3 3.83Å
40	N	81.8	Confident	73.1	Confident	76 Å²	76	89.8 Å²	89.8	41%	0.406	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	119	176.3	-70.2	-27.5	0	0	0	109.6	L50	N40-L50 HydrophobicContact CB-CD2 4.06Å
41	F	72.6	Confident	72.2	Confident	68 Å²	68	88.2 Å²	88.2	30%	0.298	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.8	177.9	-162.1	-99.7	0	0	0	109.3	M39 K51 L53	M39-F41 PolarHBondContact O-N 3.29Å; F41-K51 PolarHBondContact N-O 3.34Å; F41-K51 PolarHBondContact O-N 3.48Å; F41-K51 VanDerWaalsContact O-O 3.13Å; F41-L53 HydrophobicContact CB-CD1 3.74Å; F41-L53 HydrophobicContact CB-CG 4.02Å; F41-L53 HydrophobicContact CD2-CD1 3.57Å; F41-L53 HydrophobicContact CE2-CD1 4.37Å; F41-L53 HydrophobicContact CG-CD1 3.77Å; F41-L53 HydrophobicContact CG-CG 4.44Å
42	L	65.2	Low	71.7	Confident	100 Å²	100	90.1 Å²	90.1	52%	0.524	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.8	172.3	-122.7	84.3	0	0	0	108.3	N44 L50	L42-N44 PolarHBondContact O-N 3.15Å; L42-L50 HydrophobicContact CD1-CD2 3.81Å
43	D	59.5	Low	71.4	Confident	62 Å²	62	86.2 Å²	86.2	33%	0.332	45%	0.447	S	S	.	.			trans	-78.1	115.6	166.9	-159.8	-21.1	0	0	0	107.8	N45 K51	D43-N45 PolarHBondContact O-N 2.88Å; D43-K51 HydrophobicContact CB-CD 4.35Å; D43-K51 WeakPolarHBondContact OD2-CE 3.31Å; D43-K51 IonicContact OD2-NZ 3.81Å; D43-K51 PolarHBondContact OD2-NZ 3.38Å
44	N	53.4	Low	71.4	Confident	156 Å²	156	79.7 Å²	79.7	83%	0.834	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.7	-176.1	-93.1	-10.1	0	0	0	113.3	L42	L42-N44 PolarHBondContact O-N 3.15Å
45	N	54.2	Low	71.5	Confident	132 Å²	132	74.3 Å²	74.3	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.8	-167.8	-88.8	-12	0	0	0	116.8	D43	D43-N45 PolarHBondContact O-N 2.88Å
46	N	47.7	Very low	71.7	Confident	145 Å²	145	69.8 Å²	69.8	78%	0.775	38%	0.377	S	S	*	.	S	Bend	trans	-162.4	138	171.1	-84.5	-46.9	0	0	0	112.5	S48	N46-S48 PolarHBondContact O-N 2.83Å
47	N	46.7	Very low	71.8	Confident	160 Å²	160	71 Å²	71	86%	0.856	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	129.6	176.3	-73.5	-34.6	0	0	0	112.7
48	S	54.1	Low	71.9	Confident	118 Å²	118	70.6 Å²	70.6	83%	0.825	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-13.1	156.5	80.1	0	0	0	0	121.7	N46 L50	N46-S48 PolarHBondContact O-N 2.83Å; S48-L50 PolarHBondContact O-N 2.79Å
49	V	51.8	Low	72.1	Confident	97 Å²	97	69.9 Å²	69.9	59%	0.588	38%	0.378	S	S	*	.			trans	-93.7	93.8	176.7	-171.3	0	0	0	0	110.2	K51	V49-K51 PolarHBondContact O-N 3.49Å
50	L	61	Low	72.5	Confident	102 Å²	102	69.3 Å²	69.3	53%	0.534	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	101.7	168.1	-81.3	157.4	0	0	0	108.6	N40 L42 S48	N40-L50 HydrophobicContact CB-CD2 4.06Å; L42-L50 HydrophobicContact CD1-CD2 3.81Å; S48-L50 PolarHBondContact O-N 2.79Å
51	K	71.2	Confident	73.1	Confident	60 Å²	60	67.5 Å²	67.5	26%	0.261	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.1	171.4	-74.7	179.1	177	172.2	0	108.6	F41 D43 V49 Y190	F41-K51 PolarHBondContact N-O 3.34Å; F41-K51 PolarHBondContact O-N 3.48Å; F41-K51 VanDerWaalsContact O-O 3.13Å; D43-K51 HydrophobicContact CB-CD 4.35Å; D43-K51 WeakPolarHBondContact OD2-CE 3.31Å; D43-K51 IonicContact OD2-NZ 3.81Å; D43-K51 PolarHBondContact OD2-NZ 3.38Å; V49-K51 PolarHBondContact O-N 3.49Å; K51-Y190 HydrophobicContact CB-CD1 3.97Å; K51-Y190 HydrophobicContact CB-CE1 4.35Å; K51-Y190 HydrophobicContact CD-CD1 3.66Å; K51-Y190 HydrophobicContact CD-CE1 4.07Å; K51-Y190 HydrophobicContact CD-CG 4.12Å; K51-Y190 HydrophobicContact CG-CD1 4.19Å
52	K	79	Confident	74.2	Confident	80 Å²	80	64.3 Å²	64.3	35%	0.348	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.7	-179.3	-161.2	173.7	-178.4	-169.2	0	109.1	E38	E38-K52 WeakPolarHBondContact OE1-CE 3.2Å; E38-K52 IonicContact OE1-NZ 2.72Å; E38-K52 PolarHBondContact OE1-NZ 3.06Å; E38-K52 WeakPolarHBondContact OE2-CE 3.46Å; E38-K52 IonicContact OE2-NZ 2.92Å; E38-K52 PolarHBondContact OE2-NZ 3.44Å
53	L	82.1	Confident	75.6	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.6	169.8	-73.8	167.3	0	0	0	108.3	E38 M39 F41 W55 Y190	E38-L53 CarbonylContact C-O 3.58Å; E38-L53 VanDerWaalsContact CA-O 3.24Å; E38-L53 WeakPolarHBondContact CA-O 3.44Å; M39-L53 HydrophobicContact CE-CD1 4.14Å; M39-L53 PolarHBondContact N-O 2.94Å; M39-L53 PolarHBondContact O-N 3.4Å; F41-L53 HydrophobicContact CB-CD1 3.74Å; F41-L53 HydrophobicContact CB-CG 4.02Å; F41-L53 HydrophobicContact CD2-CD1 3.57Å; F41-L53 HydrophobicContact CE2-CD1 4.37Å; F41-L53 HydrophobicContact CG-CD1 3.77Å; F41-L53 HydrophobicContact CG-CG 4.44Å; L53-W55 HydrophobicContact CB-CE3 4.31Å; L53-W55 HydrophobicContact CB-CZ3 3.94Å; L53-Y190 HydrophobicContact CD2-CE1 3.97Å
54	S	87.4	Confident	77.3	Confident	21 Å²	21	64 Å²	64	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.5	173.9	60.6	0	0	0	0	111.6	P9 P10 R13 W37	P9-S54 WeakPolarHBondContact CB-OG 3.29Å; P10-S54 WeakPolarHBondContact CG-O 3.12Å; R13-S54 PolarHBondContact NH1-O 3.06Å; R13-S54 VanDerWaalsContact NH1-O 3.12Å; W37-S54 CarbonylContact O-C 3.59Å; W37-S54 WeakPolarHBondContact O-CA 3.37Å
55	W	88.9	Confident	79.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	153.2	178.7	62.9	95.2	0	0	0	112.8	R13 L15 L20 P28 I36 W37 M39 L53 L58 L117	R13-W55 HydrophobicContact CB-CB 3.79Å; R13-W55 HydrophobicContact CB-CG 4.47Å; L15-W55 HydrophobicContact CD1-CE3 4.43Å; L15-W55 HydrophobicContact CD1-CH2 4.26Å; L15-W55 HydrophobicContact CD1-CZ2 4.36Å; L15-W55 HydrophobicContact CD1-CZ3 4.31Å; L20-W55 HydrophobicContact CD2-CH2 4.17Å; L20-W55 HydrophobicContact CD2-CZ2 3.77Å; P28-W55 HydrophobicContact CB-CH2 4.05Å; P28-W55 HydrophobicContact CB-CZ2 3.94Å; P28-W55 HydrophobicContact CG-CH2 4.12Å; P28-W55 HydrophobicContact CG-CZ2 4.1Å; I36-W55 WeakPolarHBondContact CA-O 3.38Å; W37-W55 HydrophobicContact CB-CD2 3.78Å; W37-W55 HydrophobicContact CB-CE3 4.47Å; W37-W55 HydrophobicContact CB-CG 4.11Å; W37-W55 HydrophobicContact CB-CH2 4.38Å; W37-W55 HydrophobicContact CB-CZ2 3.66Å; W37-W55 VanDerWaalsContact CB-NE1 3.32Å; W37-W55 AromaticContact CD1-NE1 3.85Å; W37-W55 HydrophobicContact CG-CZ2 4.4Å; W37-W55 AromaticContact CG-NE1 3.69Å; W37-W55 PolarHBondContact N-O 3.2Å; W37-W55 PolarHBondContact O-N 3.42Å; M39-W55 HydrophobicContact CB-CH2 3.65Å; M39-W55 HydrophobicContact CB-CZ3 3.83Å; L53-W55 HydrophobicContact CB-CE3 4.31Å; L53-W55 HydrophobicContact CB-CZ3 3.94Å; W55-L58 HydrophobicContact CD2-CD2 4.25Å; W55-L58 HydrophobicContact CG-CD2 4.09Å; W55-L58 HydrophobicContact CZ2-CD2 4.47Å; W55-L117 HydrophobicContact CZ2-CD2 4.42Å
56	C	90.5	Very high	81.1	Confident	34 Å²	34	57.9 Å²	57.9	23%	0.23	30%	0.301	C	S	.	.	S	Bend	trans	-96.9	-37.3	170.6	-54.4	0	0	0	0	112.3	P10 L11 I36	P10-C56 PolarHBondContact O-N 2.86Å; L11-C56 WeakPolarHBondContact O-CB 3.27Å; I36-C56 WeakPolarHBondContact CG2-SG 3.42Å
57	M	92.7	Very high	83.2	Confident	30 Å²	30	55.1 Å²	55.1	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.2	178.3	-65.9	-174.4	-64.3	0	0	110.6	L11 M12 R13 I114 G115 K116 K140	L11-M57 HydrophobicContact CD1-CE 4.5Å; L11-M57 HydrophobicContact CD2-CE 4.19Å; L11-M57 HydrophobicContact CG-CE 3.92Å; L11-M57 PolarHBondContact O-N 3.35Å; M12-M57 CarbonylContact C-O 3.51Å; M12-M57 VanDerWaalsContact CA-O 3.3Å; M12-M57 WeakPolarHBondContact CA-O 3.25Å; M12-M57 HydrophobicContact CB-CB 4.41Å; R13-M57 PolarHBondContact N-O 2.83Å; M57-I114 HydrophobicContact CB-CG2 4.46Å; M57-I114 HydrophobicContact SD-CG2 4.37Å; M57-G115 CarbonylContact C-O 3.58Å; M57-G115 WeakPolarHBondContact CA-O 3.4Å; M57-G115 WeakPolarHBondContact CB-O 3.1Å; M57-K116 HydrophobicContact CG-CG 4.32Å; M57-K140 HydrophobicContact SD-CD 3.96Å
58	L	93.6	Very high	85.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.4	174.3	-70	174.2	0	0	0	110.4	R13 L15 L20 W55 L60 I114 G115 L117 I137	R13-L58 CarbonylContact O-C 3.53Å; R13-L58 WeakPolarHBondContact O-CA 3.22Å; L15-L58 HydrophobicContact CB-CD2 4.32Å; L15-L58 HydrophobicContact CD1-CD2 3.7Å; L15-L58 HydrophobicContact CG-CD2 4.18Å; L20-L58 HydrophobicContact CD1-CD1 3.77Å; L20-L58 HydrophobicContact CD2-CD1 4.21Å; L20-L58 HydrophobicContact CD2-CD2 4.37Å; W55-L58 HydrophobicContact CD2-CD2 4.25Å; W55-L58 HydrophobicContact CG-CD2 4.09Å; W55-L58 HydrophobicContact CZ2-CD2 4.47Å; L58-L60 HydrophobicContact CB-CD2 4.4Å; L58-L60 HydrophobicContact CB-CG 4.41Å; L58-I114 VanDerWaalsContact O-CA 3.29Å; L58-I114 WeakPolarHBondContact O-CA 3.5Å; L58-G115 PolarHBondContact N-O 3.06Å; L58-G115 PolarHBondContact O-N 3.19Å; L58-L117 HydrophobicContact CD1-CB 3.86Å; L58-L117 HydrophobicContact CD1-CD1 4.27Å; L58-L117 HydrophobicContact CD1-CD2 4.38Å; L58-L117 HydrophobicContact CD1-CG 4.41Å; L58-I137 HydrophobicContact CD1-CD1 3.76Å
59	W	94.4	Very high	86	Confident	9 Å²	9	53.9 Å²	53.9	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	163.4	-176.7	-25.4	0	0	0	108.3	M12 R13 K14 L15 V113 I114 L179 W181	M12-W59 HydrophobicContact CE-CD2 4.47Å; M12-W59 HydrophobicContact CE-CE3 3.32Å; M12-W59 HydrophobicContact CE-CZ3 3.56Å; M12-W59 HydrophobicContact CG-CB 4.06Å; M12-W59 HydrophobicContact SD-CB 4.04Å; M12-W59 HydrophobicContact SD-CD2 4.31Å; M12-W59 HydrophobicContact SD-CE3 3.64Å; M12-W59 HydrophobicContact SD-CZ3 4.31Å; R13-W59 PolarHBondContact O-N 3.32Å; K14-W59 WeakPolarHBondContact CA-O 3.48Å; K14-W59 HydrophobicContact CB-CB 4.25Å; K14-W59 HydrophobicContact CG-CB 4.48Å; K14-W59 HydrophobicContact CG-CG 4.45Å; L15-W59 PolarHBondContact N-O 3.24Å; W59-V113 WeakPolarHBondContact CA-O 3.29Å; W59-I114 HydrophobicContact CB-CG1 4.49Å; W59-I114 HydrophobicContact CD2-CG1 4.45Å; W59-I114 HydrophobicContact CG-CG1 4.36Å; W59-L179 HydrophobicContact CH2-CB 3.81Å; W59-L179 HydrophobicContact CH2-CD2 4.15Å; W59-L179 WeakPolarHBondContact CH2-O 3.47Å; W59-L179 HydrophobicContact CZ2-CB 3.99Å; W59-L179 WeakPolarHBondContact CZ2-O 3.38Å; W59-W181 AromaticContact CE3-CD1 3.92Å; W59-W181 AromaticContact CZ3-CD1 3.39Å; W59-W181 AromaticContact CZ3-NE1 3.44Å
60	L	95.1	Very high	86.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.8	174.7	-52.7	-179.5	0	0	0	110.3	L15 I17 L58 L82 L89 A112 V113 I137	L15-L60 WeakPolarHBondContact O-CD2 3.35Å; I17-L60 HydrophobicContact CG1-CD1 4.24Å; L58-L60 HydrophobicContact CB-CD2 4.4Å; L58-L60 HydrophobicContact CB-CG 4.41Å; L60-L82 HydrophobicContact CB-CD2 3.7Å; L60-L82 HydrophobicContact CD1-CD2 4.32Å; L60-L89 HydrophobicContact CD1-CD2 4.02Å; L60-A112 CarbonylContact O-C 3.41Å; L60-A112 WeakPolarHBondContact O-CA 3.37Å; L60-V113 PolarHBondContact N-O 2.79Å; L60-V113 PolarHBondContact O-N 3.43Å; L60-I137 HydrophobicContact CD1-CD1 4.3Å; L60-I137 HydrophobicContact CD1-CG1 3.86Å
61	Q	94.7	Very high	86.5	Confident	39 Å²	39	53.1 Å²	53.1	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.2	172.4	-69	-179	-40.9	0	0	108.6	D84 V111 A112 L145	Q61-D84 WeakPolarHBondContact O-CB 3.48Å; Q61-V111 VanDerWaalsContact CA-O 3.31Å; Q61-V111 WeakPolarHBondContact CA-O 3.33Å; Q61-A112 HydrophobicContact CG-CB 4.03Å; Q61-L145 HydrophobicContact CG-CD1 4.05Å
62	G	95.2	Very high	85.8	Confident	1 Å²	1	56 Å²	56	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	178.2	-174.7	0	0	0	0	0	112.6	L82 D83 Y110 V111	G62-L82 VanDerWaalsContact C-CD1 3.48Å; G62-D83 CarbonylContact C-O 3.54Å; G62-D83 WeakPolarHBondContact CA-O 3.11Å; G62-Y110 VanDerWaalsContact C-CD2 3.45Å; G62-Y110 VanDerWaalsContact O-CD2 3.26Å; G62-Y110 WeakPolarHBondContact O-CD2 3.42Å; G62-V111 PolarHBondContact N-O 2.7Å; G62-V111 VanDerWaalsContact N-O 3.08Å; G62-V111 PolarHBondContact O-N 3.12Å
63	R	95.4	Very high	84.5	Confident	153 Å²	153	56.9 Å²	56.9	58%	0.577	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.2	172.9	-71.4	-169	177.5	-153.5	-1.2	110.8	T65 D83 D109 Y110	R63-T65 PolarHBondContact O-N 3.08Å; R63-D83 PolarHBondContact N-O 2.78Å; R63-D83 PolarHBondContact O-N 3.26Å; R63-D109 WeakPolarHBondContact CA-O 3.16Å; R63-Y110 HydrophobicContact CG-CD2 3.77Å
64	I	94.8	Very high	82.7	Confident	2 Å²	2	64 Å²	64	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.7	171.4	-58.7	-172	0	0	0	108.9	F80 I81 V105 N106 G108 D109 V111	I64-F80 HydrophobicContact CB-CD2 4.41Å; I64-F80 HydrophobicContact CD1-CD1 4.36Å; I64-F80 HydrophobicContact CD1-CD2 3.85Å; I64-F80 HydrophobicContact CD1-CE2 3.97Å; I64-F80 HydrophobicContact CD1-CG 4.05Å; I64-F80 HydrophobicContact CD1-CZ 4.31Å; I64-F80 HydrophobicContact CG1-CD2 3.72Å; I64-F80 HydrophobicContact CG1-CE2 3.95Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CB 3.77Å; I64-F80 HydrophobicContact CG2-CD2 4.13Å; I64-F80 HydrophobicContact CG2-CG 4.16Å; I64-I81 WeakPolarHBondContact CA-O 3.5Å; I64-V105 HydrophobicContact CD1-CB 3.55Å; I64-V105 HydrophobicContact CD1-CG1 3.6Å; I64-N106 WeakPolarHBondContact CB-O 3.31Å; I64-G108 PolarHBondContact O-N 2.92Å; I64-D109 HydrophobicContact CD1-CB 4.29Å; I64-D109 PolarHBondContact N-O 2.83Å; I64-V111 HydrophobicContact CD1-CG1 3.95Å; I64-V111 HydrophobicContact CD1-CG2 4.12Å; I64-V111 HydrophobicContact CG1-CG1 4.32Å; I64-V111 HydrophobicContact CG1-CG2 3.93Å
65	T	94.3	Very high	80.9	Confident	41 Å²	41	68.7 Å²	68.7	25%	0.252	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-35.5	-177.6	59.6	0	0	0	0	112.6	R63 I81 D83 E88	R63-T65 PolarHBondContact O-N 3.08Å; T65-I81 PolarHBondContact N-O 3.21Å; T65-D83 HydrophobicContact CG2-CB 3.44Å; T65-D83 VanDerWaalsContact CG2-CB 3.44Å; T65-E88 PolarHBondContact OG1-OE1 3.01Å; T65-E88 VanDerWaalsContact OG1-OE1 3.09Å
66	K	93.3	Very high	79.5	Confident	119 Å²	119	76 Å²	76	52%	0.517	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.7	-175.8	-61.4	173.5	-171.1	154.8	0	110.8	F80 I81	K66-F80 CarbonylContact O-C 3.56Å; K66-F80 VanDerWaalsContact O-CA 3.27Å; K66-F80 WeakPolarHBondContact O-CA 3.42Å; K66-F80 WeakPolarHBondContact O-CB 3.28Å; K66-I81 HydrophobicContact CB-CB 4.27Å; K66-I81 HydrophobicContact CB-CG1 4.11Å; K66-I81 PolarHBondContact O-N 3.07Å
67	H	91.4	Very high	78.7	Confident	87 Å²	87	76.4 Å²	76.4	40%	0.403	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.7	161.5	-73.1	-64	0	0	0	109.8	V105	H67-V105 PolarHBondContact CE1-O 2.93Å
68	Y	85.8	Confident	78.4	Confident	108 Å²	108	75.9 Å²	75.9	42%	0.424	39%	0.393	S	S	.	.			trans	-106.2	117.7	173.3	-168	-94.7	0	0	0	109	S77 N79 I81 L90	Y68-S77 PolarHBondContact O-OG 3.44Å; Y68-N79 PolarHBondContact N-O 2.85Å; Y68-N79 WeakPolarHBondContact O-CB 3.26Å; Y68-I81 HydrophobicContact CD2-CD1 4.36Å; Y68-L90 HydrophobicContact CD1-CD1 3.77Å; Y68-L90 HydrophobicContact CD1-CD2 4.29Å; Y68-L90 HydrophobicContact CD2-CD1 3.92Å; Y68-L90 HydrophobicContact CE1-CD1 4.44Å; Y68-L90 HydrophobicContact CE1-CD2 4.17Å; Y68-L90 HydrophobicContact CG-CD1 3.46Å; Y68-L90 VanDerWaalsContact CG-CD1 3.46Å
69	Q	73.2	Confident	78.3	Confident	143 Å²	143	76.7 Å²	76.7	67%	0.668	40%	0.398	S	S	*	.			trans	-108.9	111.6	-179.7	-147.1	155.3	3.4	0	0	107.8	T71	Q69-T71 PolarHBondContact O-N 3.5Å
70	S	65.3	Low	78.3	Confident	35 Å²	35	76.2 Å²	76.2	25%	0.245	40%	0.396	C	S	.	.			trans	-66.7	132	176.8	-170.6	0	0	0	0	109.3	T72	S70-T72 PolarHBondContact O-N 2.97Å; S70-T72 PolarHBondContact OG-OG1 3.2Å; S70-T72 VanDerWaalsContact OG-OG1 3.04Å
71	T	58.6	Low	78.3	Confident	149 Å²	149	77.4 Å²	77.4	91%	0.914	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.8	179	50	0	0	0	0	113	Q69	Q69-T71 PolarHBondContact O-N 3.5Å
72	T	55.9	Low	78.4	Confident	119 Å²	119	75.6 Å²	75.6	73%	0.73	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.1	-171.5	33.3	0	0	0	0	115.6	S70	S70-T72 PolarHBondContact O-N 2.97Å; S70-T72 PolarHBondContact OG-OG1 3.2Å; S70-T72 VanDerWaalsContact OG-OG1 3.04Å
73	T	51.4	Low	78.4	Confident	100 Å²	100	78 Å²	78	61%	0.613	41%	0.406	S	S	*	.	S	Bend	trans	-135.2	110.3	-176.2	12.6	0	0	0	0	112.3	N75	T73-N75 PolarHBondContact O-N 2.62Å
74	N	45.2	Very low	78.4	Confident	154 Å²	154	72 Å²	72	82%	0.824	39%	0.386	S	S	*	.			trans	-58.3	124	177.8	-95.4	-28	0	0	0	112.3
75	N	49.5	Very low	78.3	Confident	119 Å²	119	75.2 Å²	75.2	64%	0.636	42%	0.419	S	S	*	.	S	Bend	trans	64.3	78.1	145.4	-61.5	-17	0	0	0	118.4	T73	T73-N75 PolarHBondContact O-N 2.62Å
76	N	59.8	Low	78.3	Confident	154 Å²	154	76.5 Å²	76.5	82%	0.824	43%	0.427	S	S	*	.			trans	143.1	41	147.4	-83.9	-9	0	0	0	111.7	N78	N76-N78 PolarHBondContact O-N 3.16Å
77	S	72.7	Confident	78.2	Confident	41 Å²	41	72 Å²	72	29%	0.287	41%	0.414	S	S	.	.			trans	-74.2	117.4	170.9	57.4	0	0	0	0	109.3	Y68 N79	Y68-S77 PolarHBondContact O-OG 3.44Å; S77-N79 PolarHBondContact O-N 2.96Å
78	N	87.1	Confident	78.3	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.102	42%	0.416	C	S	.	.			trans	-78.7	29	171.2	-104.4	17.2	0	0	0	111.5	N76 F80 Y93 L95 Y103 V105	N76-N78 PolarHBondContact O-N 3.16Å; N78-F80 VanDerWaalsContact O-CD1 3.22Å; N78-F80 WeakPolarHBondContact O-CD1 3.45Å; N78-Y93 HydrophobicContact CB-CD1 3.92Å; N78-Y93 VanDerWaalsContact CB-O 3.31Å; N78-Y93 WeakPolarHBondContact CB-O 3.36Å; N78-L95 HydrophobicContact CB-CD1 4.46Å; N78-L95 HydrophobicContact CB-CG 4.08Å; N78-L95 WeakPolarHBondContact ND2-CD1 3.22Å; N78-L95 VanDerWaalsContact ND2-CD2 3.25Å; N78-L95 WeakPolarHBondContact ND2-CD2 3.01Å; N78-L95 WeakPolarHBondContact ND2-CG 3.37Å; N78-Y103 PolarHBondContact ND2-O 3.04Å; N78-V105 HydrophobicContact CB-CG2 4.25Å
79	N	92	Very high	78.8	Confident	17 Å²	17	67.7 Å²	67.7	9%	0.091	40%	0.398	C	S	.	.			trans	-82.2	145.6	-177.5	-57.6	-16.2	0	0	0	109.6	Y68 S77 I91 I92 Y93	Y68-N79 PolarHBondContact N-O 2.85Å; Y68-N79 WeakPolarHBondContact O-CB 3.26Å; S77-N79 PolarHBondContact O-N 2.96Å; N79-I91 VanDerWaalsContact CA-O 3.25Å; N79-I91 WeakPolarHBondContact CA-O 3.17Å; N79-I91 WeakPolarHBondContact CB-O 3.19Å; N79-I92 WeakPolarHBondContact OD1-CA 3.36Å; N79-Y93 PolarHBondContact OD1-N 3.08Å
80	F	94.1	Very high	79.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.8	-175.1	58.8	-87.6	0	0	0	112.4	I64 K66 N78 L82 I91 V105 V111 V113 V142	I64-F80 HydrophobicContact CB-CD2 4.41Å; I64-F80 HydrophobicContact CD1-CD1 4.36Å; I64-F80 HydrophobicContact CD1-CD2 3.85Å; I64-F80 HydrophobicContact CD1-CE2 3.97Å; I64-F80 HydrophobicContact CD1-CG 4.05Å; I64-F80 HydrophobicContact CD1-CZ 4.31Å; I64-F80 HydrophobicContact CG1-CD2 3.72Å; I64-F80 HydrophobicContact CG1-CE2 3.95Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CB 3.77Å; I64-F80 HydrophobicContact CG2-CD2 4.13Å; I64-F80 HydrophobicContact CG2-CG 4.16Å; K66-F80 CarbonylContact O-C 3.56Å; K66-F80 VanDerWaalsContact O-CA 3.27Å; K66-F80 WeakPolarHBondContact O-CA 3.42Å; K66-F80 WeakPolarHBondContact O-CB 3.28Å; N78-F80 VanDerWaalsContact O-CD1 3.22Å; N78-F80 WeakPolarHBondContact O-CD1 3.45Å; F80-L82 HydrophobicContact CD2-CB 4.34Å; F80-L82 HydrophobicContact CE2-CB 4.12Å; F80-L82 HydrophobicContact CE2-CD1 4.13Å; F80-I91 HydrophobicContact CD1-CB 4.3Å; F80-I91 HydrophobicContact CD2-CB 4.03Å; F80-I91 HydrophobicContact CD2-CG1 4Å; F80-I91 HydrophobicContact CE1-CB 3.99Å; F80-I91 HydrophobicContact CE1-CG2 3.82Å; F80-I91 HydrophobicContact CE2-CB 3.72Å; F80-I91 HydrophobicContact CE2-CG1 3.55Å; F80-I91 HydrophobicContact CE2-CG2 4.09Å; F80-I91 HydrophobicContact CG-CB 4.32Å; F80-I91 HydrophobicContact CZ-CB 3.7Å; F80-I91 HydrophobicContact CZ-CG1 3.96Å; F80-I91 HydrophobicContact CZ-CG2 3.57Å; F80-I91 PolarHBondContact N-O 3.35Å; F80-I91 PolarHBondContact O-N 3.41Å; F80-V105 HydrophobicContact CD1-CB 4.23Å; F80-V105 HydrophobicContact CD1-CG1 3.89Å; F80-V105 HydrophobicContact CD1-CG2 3.95Å; F80-V105 HydrophobicContact CE1-CB 4.5Å; F80-V105 HydrophobicContact CE1-CG1 3.67Å; F80-V105 HydrophobicContact CE1-CG2 4.49Å; F80-V105 HydrophobicContact CZ-CG1 4.3Å; F80-V111 HydrophobicContact CE2-CG2 4.26Å; F80-V113 HydrophobicContact CE2-CG2 4.13Å; F80-V113 HydrophobicContact CZ-CG2 3.84Å; F80-V142 HydrophobicContact CE1-CG1 4.41Å; F80-V142 HydrophobicContact CE1-CG2 4.09Å; F80-V142 HydrophobicContact CZ-CG1 4.05Å; F80-V142 HydrophobicContact CZ-CG2 4.01Å
81	I	95.2	Very high	81.2	Confident	26 Å²	26	60.5 Å²	60.5	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.1	168.5	-55.7	-54.8	0	0	0	108.3	I64 T65 K66 Y68 E88 L90	I64-I81 WeakPolarHBondContact CA-O 3.5Å; T65-I81 PolarHBondContact N-O 3.21Å; K66-I81 HydrophobicContact CB-CB 4.27Å; K66-I81 HydrophobicContact CB-CG1 4.11Å; K66-I81 PolarHBondContact O-N 3.07Å; Y68-I81 HydrophobicContact CD2-CD1 4.36Å; I81-E88 HydrophobicContact CG2-CB 3.78Å; I81-E88 HydrophobicContact CG2-CG 4.2Å; I81-L90 HydrophobicContact CD1-CB 4.01Å; I81-L90 HydrophobicContact CD1-CD1 3.86Å
82	L	95.8	Very high	82.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	174.6	-174.8	74.8	0	0	0	109.2	I17 L60 G62 F80 E88 L89 I91 V111 V113	I17-L82 WeakPolarHBondContact CD1-O 3.16Å; L60-L82 HydrophobicContact CB-CD2 3.7Å; L60-L82 HydrophobicContact CD1-CD2 4.32Å; G62-L82 VanDerWaalsContact C-CD1 3.48Å; F80-L82 HydrophobicContact CD2-CB 4.34Å; F80-L82 HydrophobicContact CE2-CB 4.12Å; F80-L82 HydrophobicContact CE2-CD1 4.13Å; L82-E88 CarbonylContact O-C 3.54Å; L82-E88 VanDerWaalsContact O-CA 3.31Å; L82-E88 WeakPolarHBondContact O-CA 3.39Å; L82-L89 PolarHBondContact N-O 3.42Å; L82-L89 PolarHBondContact O-N 2.94Å; L82-I91 HydrophobicContact CB-CD1 4.06Å; L82-I91 HydrophobicContact CB-CG1 3.64Å; L82-I91 HydrophobicContact CD2-CD1 4.24Å; L82-I91 HydrophobicContact CD2-CG1 4.43Å; L82-V111 HydrophobicContact CD1-CG2 3.6Å; L82-V113 HydrophobicContact CD1-CG2 4.47Å; L82-V113 HydrophobicContact CD2-CB 4.44Å; L82-V113 HydrophobicContact CD2-CG2 4.01Å
83	D	95.4	Very high	84.5	Confident	53 Å²	53	50.2 Å²	50.2	28%	0.283	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.3	173.8	-179.2	2	0	0	0	109.6	G62 R63 T65 G85 E88	G62-D83 CarbonylContact C-O 3.54Å; G62-D83 WeakPolarHBondContact CA-O 3.11Å; R63-D83 PolarHBondContact N-O 2.78Å; R63-D83 PolarHBondContact O-N 3.26Å; T65-D83 HydrophobicContact CG2-CB 3.44Å; T65-D83 VanDerWaalsContact CG2-CB 3.44Å; D83-G85 WeakPolarHBondContact OD1-CA 3.43Å; D83-G85 PolarHBondContact OD1-N 3.34Å; D83-E88 HydrophobicContact CB-CG 4.04Å
84	D	95	Very high	86	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	30%	0.303	C	S	.	.			trans	-100.3	7.9	177.1	76.8	-8.8	0	0	0	113.9	L16 I17 Q61 T86 G87	L16-D84 WeakPolarHBondContact CA-OD2 3.25Å; L16-D84 WeakPolarHBondContact CB-OD2 3.22Å; I17-D84 HydrophobicContact CD1-CB 4.13Å; I17-D84 HydrophobicContact CG1-CB 4.49Å; I17-D84 PolarHBondContact N-OD2 2.95Å; Q61-D84 WeakPolarHBondContact O-CB 3.48Å; D84-T86 VanDerWaalsContact C-N 3.25Å; D84-T86 VanDerWaalsContact CG-OG1 3.25Å; D84-T86 PolarHBondContact O-N 2.89Å; D84-T86 WeakPolarHBondContact OD1-CA 3.33Å; D84-T86 WeakPolarHBondContact OD1-CB 3.49Å; D84-T86 PolarHBondContact OD1-N 2.91Å; D84-T86 PolarHBondContact OD1-OG1 3.33Å; D84-T86 PolarHBondContact OD2-OG1 2.85Å; D84-G87 PolarHBondContact N-O 2.83Å; D84-G87 PolarHBondContact OD1-N 2.97Å; D84-G87 VanDerWaalsContact OD1-N 3.12Å
85	G	93.8	Very high	87.4	Confident	69 Å²	69	48.6 Å²	48.6	71%	0.711	28%	0.277	S	S	*	.	S	Bend	trans	83.5	-8.5	-175.3	0	0	0	0	0	114.3	D83	D83-G85 WeakPolarHBondContact OD1-CA 3.43Å; D83-G85 PolarHBondContact OD1-N 3.34Å
86	T	93.3	Very high	88.6	Confident	68 Å²	68	46.6 Å²	46.6	42%	0.417	27%	0.266	S	S	.	.	S	Bend	trans	-111.9	-14.7	174.7	71.8	0	0	0	0	113.3	L16 G18 D84	L16-T86 HydrophobicContact CB-CG2 4.22Å; L16-T86 HydrophobicContact CD1-CG2 4.03Å; L16-T86 HydrophobicContact CD2-CG2 4.42Å; L16-T86 HydrophobicContact CG-CG2 4.45Å; G18-T86 WeakPolarHBondContact CA-OG1 3.27Å; G18-T86 PolarHBondContact N-OG1 3.34Å; D84-T86 VanDerWaalsContact C-N 3.25Å; D84-T86 VanDerWaalsContact CG-OG1 3.25Å; D84-T86 PolarHBondContact O-N 2.89Å; D84-T86 WeakPolarHBondContact OD1-CA 3.33Å; D84-T86 WeakPolarHBondContact OD1-CB 3.49Å; D84-T86 PolarHBondContact OD1-N 2.91Å; D84-T86 PolarHBondContact OD1-OG1 3.33Å; D84-T86 PolarHBondContact OD2-OG1 2.85Å
87	G	92.1	Very high	89	Confident	24 Å²	24	48.9 Å²	48.9	25%	0.247	27%	0.269	C	S	.	.			trans	177.9	173.1	172.9	0	0	0	0	0	111.5	I17 D84	I17-G87 WeakPolarHBondContact CD1-O 3.42Å; D84-G87 PolarHBondContact N-O 2.83Å; D84-G87 PolarHBondContact OD1-N 2.97Å; D84-G87 VanDerWaalsContact OD1-N 3.12Å
88	E	94	Very high	88.8	Confident	96 Å²	96	51.6 Å²	51.6	45%	0.449	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.4	174.6	-65.3	-166.2	128.5	0	0	110.2	T65 I81 L82 D83	T65-E88 PolarHBondContact OG1-OE1 3.01Å; T65-E88 VanDerWaalsContact OG1-OE1 3.09Å; I81-E88 HydrophobicContact CG2-CB 3.78Å; I81-E88 HydrophobicContact CG2-CG 4.2Å; L82-E88 CarbonylContact O-C 3.54Å; L82-E88 VanDerWaalsContact O-CA 3.31Å; L82-E88 WeakPolarHBondContact O-CA 3.39Å; D83-E88 HydrophobicContact CB-CG 4.04Å
89	L	94.8	Very high	87.6	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.6	176.6	-167.5	60.4	0	0	0	111.6	I17 F21 L60 L82 I91 W135 I137	I17-L89 HydrophobicContact CD1-CB 3.86Å; I17-L89 HydrophobicContact CG1-CB 4.19Å; I17-L89 HydrophobicContact CG2-CB 4.12Å; F21-L89 HydrophobicContact CE2-CD1 3.79Å; F21-L89 HydrophobicContact CE2-CD2 4.19Å; F21-L89 HydrophobicContact CZ-CD1 4.01Å; L60-L89 HydrophobicContact CD1-CD2 4.02Å; L82-L89 PolarHBondContact N-O 3.42Å; L82-L89 PolarHBondContact O-N 2.94Å; L89-I91 PolarHBondContact O-N 3.46Å; L89-W135 HydrophobicContact CD1-CB 4.11Å; L89-W135 VanDerWaalsContact CD1-O 3.29Å; L89-W135 WeakPolarHBondContact CD1-O 3.48Å; L89-I137 HydrophobicContact CD2-CD1 3.8Å; L89-I137 HydrophobicContact CD2-CG1 3.52Å; L89-I137 HydrophobicContact CG-CG1 4.29Å
90	L	94.7	Very high	85.7	Confident	27 Å²	27	61.6 Å²	61.6	14%	0.141	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.4	174.6	174.4	62.4	0	0	0	110.5	Y68 I81 I92 H136 I137	Y68-L90 HydrophobicContact CD1-CD1 3.77Å; Y68-L90 HydrophobicContact CD1-CD2 4.29Å; Y68-L90 HydrophobicContact CD2-CD1 3.92Å; Y68-L90 HydrophobicContact CE1-CD1 4.44Å; Y68-L90 HydrophobicContact CE1-CD2 4.17Å; Y68-L90 HydrophobicContact CG-CD1 3.46Å; Y68-L90 VanDerWaalsContact CG-CD1 3.46Å; I81-L90 HydrophobicContact CD1-CB 4.01Å; I81-L90 HydrophobicContact CD1-CD1 3.86Å; L90-I92 HydrophobicContact CD2-CG1 4.4Å; L90-I92 HydrophobicContact CG-CG1 4.32Å; L90-H136 HydrophobicContact CB-CB 4Å; L90-H136 HydrophobicContact CD2-CB 4.12Å; L90-H136 HydrophobicContact CG-CB 4.06Å; L90-H136 CarbonylContact O-C 3.57Å; L90-H136 VanDerWaalsContact O-CA 3.27Å; L90-H136 WeakPolarHBondContact O-CA 3.41Å; L90-H136 WeakPolarHBondContact O-CB 3.19Å; L90-I137 PolarHBondContact O-N 3.18Å
91	I	94.7	Very high	84	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118	172.6	-47.9	-56.2	0	0	0	108.6	N79 F80 L82 L89 V113 I137 A139	N79-I91 VanDerWaalsContact CA-O 3.25Å; N79-I91 WeakPolarHBondContact CA-O 3.17Å; N79-I91 WeakPolarHBondContact CB-O 3.19Å; F80-I91 HydrophobicContact CD1-CB 4.3Å; F80-I91 HydrophobicContact CD2-CB 4.03Å; F80-I91 HydrophobicContact CD2-CG1 4Å; F80-I91 HydrophobicContact CE1-CB 3.99Å; F80-I91 HydrophobicContact CE1-CG2 3.82Å; F80-I91 HydrophobicContact CE2-CB 3.72Å; F80-I91 HydrophobicContact CE2-CG1 3.55Å; F80-I91 HydrophobicContact CE2-CG2 4.09Å; F80-I91 HydrophobicContact CG-CB 4.32Å; F80-I91 HydrophobicContact CZ-CB 3.7Å; F80-I91 HydrophobicContact CZ-CG1 3.96Å; F80-I91 HydrophobicContact CZ-CG2 3.57Å; F80-I91 PolarHBondContact N-O 3.35Å; F80-I91 PolarHBondContact O-N 3.41Å; L82-I91 HydrophobicContact CB-CD1 4.06Å; L82-I91 HydrophobicContact CB-CG1 3.64Å; L82-I91 HydrophobicContact CD2-CD1 4.24Å; L82-I91 HydrophobicContact CD2-CG1 4.43Å; L89-I91 PolarHBondContact O-N 3.46Å; I91-V113 HydrophobicContact CD1-CG1 4.33Å; I91-V113 HydrophobicContact CG2-CG1 3.85Å; I91-V113 HydrophobicContact CG2-CG2 4.46Å; I91-I137 HydrophobicContact CD1-CB 3.67Å; I91-I137 HydrophobicContact CD1-CG1 3.75Å; I91-I137 HydrophobicContact CD1-CG2 4.42Å; I91-A139 HydrophobicContact CG2-CB 3.63Å
92	I	92.9	Very high	82.8	Confident	37 Å²	37	68.7 Å²	68.7	19%	0.19	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.9	169.5	-57.3	-175.8	0	0	0	107	N79 L90 H136 I137 L138 A139	N79-I92 WeakPolarHBondContact OD1-CA 3.36Å; L90-I92 HydrophobicContact CD2-CG1 4.4Å; L90-I92 HydrophobicContact CG-CG1 4.32Å; I92-H136 WeakPolarHBondContact CD1-CD2 3.42Å; I92-I137 PolarHBondContact N-O 3.43Å; I92-L138 HydrophobicContact CB-CD2 3.94Å; I92-L138 HydrophobicContact CD1-CD2 4.15Å; I92-L138 HydrophobicContact CG2-CD2 4.02Å; I92-A139 WeakPolarHBondContact O-CB 3.3Å; I92-A139 PolarHBondContact O-N 2.89Å
93	Y	90.4	Very high	81.9	Confident	16 Å²	16	70.8 Å²	70.8	6%	0.063	40%	0.395	C	S	.	.			trans	-127.7	96	-177.9	179.8	-140.4	0	0	0	109.6	N78 N79 L95 Y103 A139 V142	N78-Y93 HydrophobicContact CB-CD1 3.92Å; N78-Y93 VanDerWaalsContact CB-O 3.31Å; N78-Y93 WeakPolarHBondContact CB-O 3.36Å; N79-Y93 PolarHBondContact OD1-N 3.08Å; Y93-L95 HydrophobicContact CD1-CD2 4.22Å; Y93-L95 HydrophobicContact CE1-CD2 3.5Å; Y93-L95 HydrophobicContact CE2-CD2 4.35Å; Y93-L95 PolarHBondContact O-N 2.87Å; Y93-Y103 WeakPolarHBondContact CE1-O 3.35Å; Y93-A139 HydrophobicContact CD2-CB 4.02Å; Y93-A139 HydrophobicContact CG-CB 4.33Å; Y93-V142 HydrophobicContact CD1-CB 4.11Å; Y93-V142 HydrophobicContact CD1-CG2 3.58Å; Y93-V142 HydrophobicContact CD2-CG2 3.89Å; Y93-V142 HydrophobicContact CE1-CB 3.88Å; Y93-V142 HydrophobicContact CE1-CG2 3.82Å; Y93-V142 HydrophobicContact CE2-CG2 4.14Å; Y93-V142 HydrophobicContact CG-CG2 3.62Å
94	E	82.7	Confident	81.3	Confident	165 Å²	165	75.3 Å²	75.3	77%	0.771	41%	0.412	S	S	*	.			trans	-80.5	114.7	173.8	-67.4	-175.1	176.1	0	0	109.2	D96	E94-D96 PolarHBondContact O-N 2.82Å
95	L	76.1	Confident	81	Confident	55 Å²	55	74.1 Å²	74.1	29%	0.288	41%	0.406	S	S	.	.			trans	-68.5	114.6	170.5	-69	-178.2	0	0	0	109.1	N78 Y93 K97 N102	N78-L95 HydrophobicContact CB-CD1 4.46Å; N78-L95 HydrophobicContact CB-CG 4.08Å; N78-L95 WeakPolarHBondContact ND2-CD1 3.22Å; N78-L95 VanDerWaalsContact ND2-CD2 3.25Å; N78-L95 WeakPolarHBondContact ND2-CD2 3.01Å; N78-L95 WeakPolarHBondContact ND2-CG 3.37Å; Y93-L95 HydrophobicContact CD1-CD2 4.22Å; Y93-L95 HydrophobicContact CE1-CD2 3.5Å; Y93-L95 HydrophobicContact CE2-CD2 4.35Å; Y93-L95 PolarHBondContact O-N 2.87Å; L95-K97 PolarHBondContact O-N 2.69Å; L95-K97 VanDerWaalsContact O-N 3.08Å; L95-N102 HydrophobicContact CB-CB 4.4Å; L95-N102 HydrophobicContact CD1-CB 4.08Å; L95-N102 HydrophobicContact CD2-CB 3.52Å; L95-N102 HydrophobicContact CG-CB 4.2Å
96	D	73.3	Confident	80.9	Confident	77 Å²	77	74.6 Å²	74.6	41%	0.412	39%	0.392	S	S	.	.			trans	-70.3	105.8	167.8	-175.9	-9	0	0	0	108.4	E94 S98 Q99 N102	E94-D96 PolarHBondContact O-N 2.82Å; D96-S98 PolarHBondContact O-N 3.01Å; D96-S98 VanDerWaalsContact OD1-CB 3.31Å; D96-S98 WeakPolarHBondContact OD1-CB 3.38Å; D96-S98 PolarHBondContact OD1-N 2.83Å; D96-S98 PolarHBondContact OD1-OG 2.97Å; D96-S98 PolarHBondContact OD2-OG 2.87Å; D96-S98 VanDerWaalsContact OD2-OG 3.04Å; D96-Q99 HydrophobicContact CB-CB 4.48Å; D96-Q99 HydrophobicContact CB-CG 4.1Å; D96-Q99 PolarHBondContact O-N 3.35Å; D96-N102 PolarHBondContact O-ND2 2.78Å; D96-N102 PolarHBondContact O-OD1 2.91Å
97	K	68.5	Low	80.9	Confident	201 Å²	201	76.2 Å²	76.2	87%	0.874	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.8	179.7	-64.2	-177.5	-177.3	177.1	0	113.1	L95	L95-K97 PolarHBondContact O-N 2.69Å; L95-K97 VanDerWaalsContact O-N 3.08Å
98	S	68.8	Low	80.9	Confident	98 Å²	98	77.1 Å²	77.1	69%	0.685	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.8	176.6	75.1	0	0	0	0	113.6	D96	D96-S98 PolarHBondContact O-N 3.01Å; D96-S98 VanDerWaalsContact OD1-CB 3.31Å; D96-S98 WeakPolarHBondContact OD1-CB 3.38Å; D96-S98 PolarHBondContact OD1-N 2.83Å; D96-S98 PolarHBondContact OD1-OG 2.97Å; D96-S98 PolarHBondContact OD2-OG 2.87Å; D96-S98 VanDerWaalsContact OD2-OG 3.04Å
99	Q	61.3	Low	80.8	Confident	116 Å²	116	73.9 Å²	73.9	54%	0.542	39%	0.393	S	S	.	.	S	Bend	trans	-91.1	134.2	179.3	-66	-155.4	22.8	0	0	112.3	D96 V101 N102	D96-Q99 HydrophobicContact CB-CB 4.48Å; D96-Q99 HydrophobicContact CB-CG 4.1Å; D96-Q99 PolarHBondContact O-N 3.35Å; Q99-V101 VanDerWaalsContact C-N 3.26Å; Q99-V101 PolarHBondContact O-N 2.77Å; Q99-N102 PolarHBondContact O-ND2 2.64Å
100	P	53.2	Low	80.7	Confident	130 Å²	130	77.3 Å²	77.3	84%	0.844	41%	0.405	S	S	*	.	S	Bend	trans	-72.9	-15.3	-175.5	26.9	-32.9	0	0	0	113.8
101	V	58.4	Low	80.7	Confident	121 Å²	121	76 Å²	76	73%	0.733	40%	0.399	S	S	*	.			trans	-120.6	76.8	-175.8	-169.4	0	0	0	0	109.6	Q99	Q99-V101 VanDerWaalsContact C-N 3.26Å; Q99-V101 PolarHBondContact O-N 2.77Å
102	N	69.7	Low	80.6	Confident	55 Å²	55	76.2 Å²	76.2	29%	0.294	40%	0.4	S	S	.	.			trans	-96.2	105.5	171.8	-80.3	-33.6	0	0	0	108.6	L95 D96 Q99 K104	L95-N102 HydrophobicContact CB-CB 4.4Å; L95-N102 HydrophobicContact CD1-CB 4.08Å; L95-N102 HydrophobicContact CD2-CB 3.52Å; L95-N102 HydrophobicContact CG-CB 4.2Å; D96-N102 PolarHBondContact O-ND2 2.78Å; D96-N102 PolarHBondContact O-OD1 2.91Å; Q99-N102 PolarHBondContact O-ND2 2.64Å; N102-K104 PolarHBondContact O-N 2.93Å
103	Y	76.4	Confident	80.7	Confident	44 Å²	44	74.5 Å²	74.5	17%	0.173	39%	0.392	C	S	.	.			trans	-70.5	125.4	175.7	171.8	-115.7	0	0	0	109.7	N78 Y93 V105 D109 V111 V142 H144	N78-Y103 PolarHBondContact ND2-O 3.04Å; Y93-Y103 WeakPolarHBondContact CE1-O 3.35Å; Y103-V105 HydrophobicContact CD1-CG1 3.89Å; Y103-V105 HydrophobicContact CE1-CB 4.41Å; Y103-V105 HydrophobicContact CE1-CG1 3.64Å; Y103-D109 WeakPolarHBondContact OH-CB 3.31Å; Y103-D109 VanDerWaalsContact OH-CG 3.23Å; Y103-D109 PolarHBondContact OH-OD2 2.82Å; Y103-V111 HydrophobicContact CE1-CG1 3.87Å; Y103-V142 HydrophobicContact CD1-CB 4.28Å; Y103-V142 HydrophobicContact CD1-CG1 3.8Å; Y103-V142 HydrophobicContact CE1-CG1 4Å; Y103-H144 HydrophobicContact CD2-CB 4.18Å; Y103-H144 HydrophobicContact CE1-CB 4.19Å; Y103-H144 HydrophobicContact CE2-CB 3.59Å; Y103-H144 AromaticContact CE2-CG 3.99Å; Y103-H144 AromaticContact CZ-CD2 3.92Å; Y103-H144 AromaticContact CZ-CG 3.89Å; Y103-H144 PolarHBondContact OH-CD2 3Å
104	K	84.2	Confident	80.8	Confident	147 Å²	147	75.2 Å²	75.2	64%	0.639	40%	0.396	S	S	*	.			trans	-90.2	114.4	173.3	-171.6	179.1	179.2	-176.2	0	108.9	N102 N106	N102-K104 PolarHBondContact O-N 2.93Å; K104-N106 PolarHBondContact O-ND2 3.31Å
105	V	88.1	Confident	81.4	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.012	36%	0.36	C	S	.	.			trans	-71.1	141.2	178.5	-71.8	0	0	0	0	111.7	I64 H67 N78 F80 Y103 V142	I64-V105 HydrophobicContact CD1-CB 3.55Å; I64-V105 HydrophobicContact CD1-CG1 3.6Å; H67-V105 PolarHBondContact CE1-O 2.93Å; N78-V105 HydrophobicContact CB-CG2 4.25Å; F80-V105 HydrophobicContact CD1-CB 4.23Å; F80-V105 HydrophobicContact CD1-CG1 3.89Å; F80-V105 HydrophobicContact CD1-CG2 3.95Å; F80-V105 HydrophobicContact CE1-CB 4.5Å; F80-V105 HydrophobicContact CE1-CG1 3.67Å; F80-V105 HydrophobicContact CE1-CG2 4.49Å; F80-V105 HydrophobicContact CZ-CG1 4.3Å; Y103-V105 HydrophobicContact CD1-CG1 3.89Å; Y103-V105 HydrophobicContact CE1-CB 4.41Å; Y103-V105 HydrophobicContact CE1-CG1 3.64Å; V105-V142 HydrophobicContact CG1-CG1 4.04Å
106	N	90.6	Very high	82.2	Confident	79 Å²	79	69.2 Å²	69.2	42%	0.422	37%	0.365	S	S	.	.			trans	-126.7	153.8	168.6	-47.7	-77.3	0	0	0	110.6	I64 K104 G108 D109	I64-N106 WeakPolarHBondContact CB-O 3.31Å; K104-N106 PolarHBondContact O-ND2 3.31Å; N106-G108 PolarHBondContact O-N 3.5Å; N106-D109 WeakPolarHBondContact CA-OD2 3.16Å; N106-D109 WeakPolarHBondContact CB-OD2 3.44Å; N106-D109 PolarHBondContact N-OD2 2.84Å; N106-D109 PolarHBondContact ND2-OD2 3.05Å; N106-D109 VanDerWaalsContact O-CB 3.3Å; N106-D109 WeakPolarHBondContact O-CB 3.49Å; N106-D109 VanDerWaalsContact O-CG 3.3Å; N106-D109 PolarHBondContact O-N 3.06Å
107	I	92.9	Very high	83.3	Confident	103 Å²	103	65.8 Å²	65.8	53%	0.528	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	133.3	172.6	-65	169.3	0	0	0	109.5
108	G	93	Very high	84.4	Confident	43 Å²	43	58.1 Å²	58.1	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-16.4	-177.3	0	0	0	0	0	114.2	I64 N106	I64-G108 PolarHBondContact O-N 2.92Å; N106-G108 PolarHBondContact O-N 3.5Å
109	D	92	Very high	85.4	Confident	28 Å²	28	57.6 Å²	57.6	15%	0.15	30%	0.304	C	S	.	.			trans	-62.4	137	178	-68.7	-7.1	0	0	0	110.1	R63 I64 Y103 N106 V111	R63-D109 WeakPolarHBondContact CA-O 3.16Å; I64-D109 HydrophobicContact CD1-CB 4.29Å; I64-D109 PolarHBondContact N-O 2.83Å; Y103-D109 WeakPolarHBondContact OH-CB 3.31Å; Y103-D109 VanDerWaalsContact OH-CG 3.23Å; Y103-D109 PolarHBondContact OH-OD2 2.82Å; N106-D109 WeakPolarHBondContact CA-OD2 3.16Å; N106-D109 WeakPolarHBondContact CB-OD2 3.44Å; N106-D109 PolarHBondContact N-OD2 2.84Å; N106-D109 PolarHBondContact ND2-OD2 3.05Å; N106-D109 VanDerWaalsContact O-CB 3.3Å; N106-D109 WeakPolarHBondContact O-CB 3.49Å; N106-D109 VanDerWaalsContact O-CG 3.3Å; N106-D109 PolarHBondContact O-N 3.06Å; D109-V111 HydrophobicContact CB-CG1 4.03Å
110	Y	93.6	Very high	86.4	Confident	79 Å²	79	52.7 Å²	52.7	31%	0.31	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.2	170.7	-170.7	-112.1	0	0	0	108.9	G62 R63 H144 L145	G62-Y110 VanDerWaalsContact C-CD2 3.45Å; G62-Y110 VanDerWaalsContact O-CD2 3.26Å; G62-Y110 WeakPolarHBondContact O-CD2 3.42Å; R63-Y110 HydrophobicContact CG-CD2 3.77Å; Y110-H144 PolarHBondContact O-CD2 3.1Å; Y110-L145 HydrophobicContact CD1-CB 3.8Å; Y110-L145 HydrophobicContact CD1-CD1 3.88Å; Y110-L145 HydrophobicContact CD1-CG 4.48Å; Y110-L145 HydrophobicContact CE1-CB 4.33Å; Y110-L145 HydrophobicContact CE1-CD1 3.67Å; Y110-L145 PolarHBondContact O-N 2.63Å
111	V	93.4	Very high	87.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152	-167.8	-58.6	0	0	0	0	111.9	Q61 G62 I64 F80 L82 Y103 D109 V113 V142 T143	Q61-V111 VanDerWaalsContact CA-O 3.31Å; Q61-V111 WeakPolarHBondContact CA-O 3.33Å; G62-V111 PolarHBondContact N-O 2.7Å; G62-V111 VanDerWaalsContact N-O 3.08Å; G62-V111 PolarHBondContact O-N 3.12Å; I64-V111 HydrophobicContact CD1-CG1 3.95Å; I64-V111 HydrophobicContact CD1-CG2 4.12Å; I64-V111 HydrophobicContact CG1-CG1 4.32Å; I64-V111 HydrophobicContact CG1-CG2 3.93Å; F80-V111 HydrophobicContact CE2-CG2 4.26Å; L82-V111 HydrophobicContact CD1-CG2 3.6Å; Y103-V111 HydrophobicContact CE1-CG1 3.87Å; D109-V111 HydrophobicContact CB-CG1 4.03Å; V111-V113 HydrophobicContact CG2-CG2 4.08Å; V111-V142 HydrophobicContact CB-CG1 4.02Å; V111-V142 HydrophobicContact CG1-CG1 4.24Å; V111-V142 HydrophobicContact CG2-CG1 4.26Å; V111-T143 CarbonylContact C-O 3.6Å; V111-T143 VanDerWaalsContact CA-O 3.28Å; V111-T143 WeakPolarHBondContact CA-O 3.46Å
112	A	93.7	Very high	87.5	Confident	4 Å²	4	55 Å²	55	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.2	159.6	0	0	0	0	0	109.2	L60 Q61 V142 T143 L145	L60-A112 CarbonylContact O-C 3.41Å; L60-A112 WeakPolarHBondContact O-CA 3.37Å; Q61-A112 HydrophobicContact CG-CB 4.03Å; A112-V142 CarbonylContact O-C 3.57Å; A112-V142 WeakPolarHBondContact O-CA 3.15Å; A112-T143 PolarHBondContact N-O 2.85Å; A112-T143 PolarHBondContact O-N 2.93Å; A112-L145 HydrophobicContact CB-CD1 3.92Å; A112-L145 HydrophobicContact CB-CD2 4.05Å; A112-L145 HydrophobicContact CB-CG 4.09Å
113	V	93.8	Very high	86.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	175.3	-179.2	0	0	0	0	108.6	W59 L60 F80 L82 I91 V111 I137 A139 V142	W59-V113 WeakPolarHBondContact CA-O 3.29Å; L60-V113 PolarHBondContact N-O 2.79Å; L60-V113 PolarHBondContact O-N 3.43Å; F80-V113 HydrophobicContact CE2-CG2 4.13Å; F80-V113 HydrophobicContact CZ-CG2 3.84Å; L82-V113 HydrophobicContact CD1-CG2 4.47Å; L82-V113 HydrophobicContact CD2-CB 4.44Å; L82-V113 HydrophobicContact CD2-CG2 4.01Å; I91-V113 HydrophobicContact CD1-CG1 4.33Å; I91-V113 HydrophobicContact CG2-CG1 3.85Å; I91-V113 HydrophobicContact CG2-CG2 4.46Å; V111-V113 HydrophobicContact CG2-CG2 4.08Å; V113-I137 HydrophobicContact CG1-CG2 4.25Å; V113-A139 HydrophobicContact CG1-CB 3.82Å; V113-V142 HydrophobicContact CG2-CG1 4.36Å; V113-V142 HydrophobicContact CG2-CG2 4.3Å
114	I	93.4	Very high	85.7	Confident	32 Å²	32	63 Å²	63	16%	0.164	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125	168	-59.4	168	0	0	0	108.2	M12 M57 L58 W59 K140 S141	M12-I114 HydrophobicContact CG-CG2 4.46Å; M12-I114 HydrophobicContact SD-CB 4.37Å; M12-I114 HydrophobicContact SD-CD1 3.6Å; M12-I114 VanDerWaalsContact SD-CD1 3.6Å; M12-I114 HydrophobicContact SD-CG1 3.75Å; M12-I114 HydrophobicContact SD-CG2 3.69Å; M57-I114 HydrophobicContact CB-CG2 4.46Å; M57-I114 HydrophobicContact SD-CG2 4.37Å; L58-I114 VanDerWaalsContact O-CA 3.29Å; L58-I114 WeakPolarHBondContact O-CA 3.5Å; W59-I114 HydrophobicContact CB-CG1 4.49Å; W59-I114 HydrophobicContact CD2-CG1 4.45Å; W59-I114 HydrophobicContact CG-CG1 4.36Å; I114-K140 PolarHBondContact O-N 3.46Å; I114-S141 WeakPolarHBondContact CB-OG 3.47Å; I114-S141 PolarHBondContact N-O 3.12Å; I114-S141 PolarHBondContact O-N 2.99Å; I114-S141 VanDerWaalsContact O-N 3.12Å
115	G	93.8	Very high	83.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-179.7	-175.3	0	0	0	0	0	114.8	M57 L58 L138	M57-G115 CarbonylContact C-O 3.58Å; M57-G115 WeakPolarHBondContact CA-O 3.4Å; M57-G115 WeakPolarHBondContact CB-O 3.1Å; L58-G115 PolarHBondContact N-O 3.06Å; L58-G115 PolarHBondContact O-N 3.19Å; G115-L138 CarbonylContact C-O 3.57Å; G115-L138 WeakPolarHBondContact CA-O 3.44Å
116	K	94.3	Very high	82	Confident	93 Å²	93	70.1 Å²	70.1	40%	0.404	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.5	176.1	-67.8	-178.3	173.7	-175.1	0	109.7	M57 I137 L138	M57-K116 HydrophobicContact CG-CG 4.32Å; K116-I137 CarbonylContact O-C 3.57Å; K116-I137 WeakPolarHBondContact O-CA 3.24Å; K116-L138 PolarHBondContact N-O 2.95Å; K116-L138 PolarHBondContact O-N 2.99Å
117	L	95.1	Very high	80.2	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	138.9	166.5	-172.3	65.1	0	0	0	109.5	F21 P28 W37 W55 L58 W135 I137	F21-L117 HydrophobicContact CZ-CD1 4.33Å; P28-L117 HydrophobicContact CB-CD2 4.02Å; P28-L117 HydrophobicContact CG-CD2 4.07Å; W37-L117 HydrophobicContact CD2-CB 4.35Å; W37-L117 HydrophobicContact CD2-CD2 4.08Å; W37-L117 HydrophobicContact CE3-CD2 4.16Å; W37-L117 HydrophobicContact CZ2-CB 4.21Å; W37-L117 HydrophobicContact CZ2-CD2 4.5Å; W37-L117 HydrophobicContact CZ2-CG 4.23Å; W37-L117 WeakPolarHBondContact CZ2-O 2.79Å; W37-L117 HydrophobicContact CZ3-CD2 4.4Å; W37-L117 PolarHBondContact NE1-O 3.08Å; W55-L117 HydrophobicContact CZ2-CD2 4.42Å; L58-L117 HydrophobicContact CD1-CB 3.86Å; L58-L117 HydrophobicContact CD1-CD1 4.27Å; L58-L117 HydrophobicContact CD1-CD2 4.38Å; L58-L117 HydrophobicContact CD1-CG 4.41Å; L117-W135 HydrophobicContact CD1-CE3 3.74Å; L117-W135 HydrophobicContact CD1-CZ3 4.29Å; L117-W135 HydrophobicContact CD2-CE3 3.93Å; L117-W135 HydrophobicContact CD2-CZ3 3.63Å; L117-W135 HydrophobicContact CG-CE3 3.73Å; L117-W135 HydrophobicContact CG-CZ3 3.77Å; L117-I137 HydrophobicContact CB-CD1 4.1Å; L117-I137 HydrophobicContact CD1-CD1 3.62Å; L117-I137 HydrophobicContact CG-CD1 4.49Å
118	V	93.4	Very high	78.2	Confident	40 Å²	40	74.8 Å²	74.8	24%	0.242	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.8	175.8	-178.7	0	0	0	0	108.7	H136 L138	V118-H136 WeakPolarHBondContact CB-NE2 3.38Å; V118-H136 VanDerWaalsContact CG1-CE1 3.43Å; V118-H136 WeakPolarHBondContact CG1-CE1 3.45Å; V118-H136 PolarHBondContact N-O 2.88Å; V118-H136 PolarHBondContact O-N 2.78Å; V118-L138 HydrophobicContact CG2-CB 4.45Å; V118-L138 HydrophobicContact CG2-CD1 3.61Å; V118-L138 HydrophobicContact CG2-CG 3.63Å
119	Q	89	Confident	76	Confident	88 Å²	88	79.8 Å²	79.8	41%	0.411	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-75.3	151.3	174.7	60.3	-179.9	24.1	0	0	111.2	W37 W135	W37-Q119 HydrophobicContact CH2-CB 3.94Å; W37-Q119 HydrophobicContact CH2-CG 4.32Å; Q119-W135 HydrophobicContact CB-CE3 4.32Å; Q119-W135 HydrophobicContact CB-CH2 3.73Å; Q119-W135 HydrophobicContact CB-CZ2 4.11Å; Q119-W135 HydrophobicContact CB-CZ3 3.84Å
120	P	82.4	Confident	73.9	Confident	13 Å²	13	84 Å²	84	8%	0.084	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-50.3	142.8	164.1	-21.2	27.7	0	0	0	111.3	K122 L131 C134 W135	P120-K122 PolarHBondContact O-N 3.4Å; P120-L131 WeakPolarHBondContact CG-O 3.48Å; P120-C134 HydrophobicContact CB-CB 3.5Å; P120-C134 VanDerWaalsContact CB-CB 3.5Å; P120-C134 HydrophobicContact CG-CB 3.65Å; P120-W135 VanDerWaalsContact CD-CE2 3.4Å; P120-W135 HydrophobicContact CG-CD2 4.41Å; P120-W135 HydrophobicContact CG-CG 4.1Å
121	N	71.8	Confident	71.7	Confident	119 Å²	119	84.1 Å²	84.1	64%	0.636	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.3	126.4	168.1	-130.2	4.3	0	0	0	108.2	D123	N121-D123 PolarHBondContact O-N 3.41Å; N121-D123 VanDerWaalsContact O-N 3.16Å
122	K	62.8	Low	69.9	Low	179 Å²	179	87.3 Å²	87.3	78%	0.778	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.8	-177.6	-75.8	-175.7	176.3	-178.7	0	113.6	P120	P120-K122 PolarHBondContact O-N 3.4Å
123	D	57.1	Low	68.4	Low	137 Å²	137	93.3 Å²	93.3	73%	0.733	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.6	-170.7	-62.5	-24.5	0	0	0	113.3	N121	N121-D123 PolarHBondContact O-N 3.41Å; N121-D123 VanDerWaalsContact O-N 3.16Å
124	D	51.7	Low	67.7	Low	132 Å²	132	96.5 Å²	96.5	71%	0.706	49%	0.494	S	S	*	.	S	Bend	trans	-104.9	89.8	-178.1	-76.4	-36.9	0	0	0	112.2
125	N	45.3	Very low	67.6	Low	135 Å²	135	95.5 Å²	95.5	72%	0.722	49%	0.488	S	S	*	.			trans	66	136.1	158.2	-66.3	-42.4	0	0	0	121.2	D127	N125-D127 PolarHBondContact O-N 2.71Å
126	D	48.7	Very low	67.7	Low	163 Å²	163	97.2 Å²	97.2	87%	0.872	50%	0.495	S	S	*	.	S	Bend	trans	-66.1	11.7	-168.1	-73.5	-48.9	0	0	0	117.9	K128	D126-K128 PolarHBondContact O-N 3.35Å
127	D	53	Low	67.7	Low	99 Å²	99	92.8 Å²	92.8	53%	0.529	48%	0.476	S	S	.	.			trans	-92.1	99.3	-176.4	-71.7	-24.6	0	0	0	111.2	N125 D129 Q130	N125-D127 PolarHBondContact O-N 2.71Å; D127-D129 PolarHBondContact O-N 3.29Å; D127-Q130 PolarHBondContact O-N 3.43Å
128	K	50.5	Low	67.6	Low	180 Å²	180	96.2 Å²	96.2	78%	0.783	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-24.3	179.1	-73.7	-166.4	176.5	-175.3	0	114.9	D126 L131	D126-K128 PolarHBondContact O-N 3.35Å; K128-L131 WeakPolarHBondContact O-CB 3.43Å
129	D	46.5	Very low	67.6	Low	149 Å²	149	95 Å²	95	80%	0.797	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.6	179.5	-70	-19.3	0	0	0	113.2	D127	D127-D129 PolarHBondContact O-N 3.29Å
130	Q	48.9	Very low	67.7	Low	116 Å²	116	97.4 Å²	97.4	54%	0.542	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16	172.9	-71	-175.2	31.3	0	0	113	D127 L132 N133	D127-Q130 PolarHBondContact O-N 3.43Å; Q130-L132 PolarHBondContact O-N 3.1Å; Q130-L132 VanDerWaalsContact O-N 3.14Å; Q130-N133 WeakPolarHBondContact O-CB 3.4Å; Q130-N133 PolarHBondContact O-N 2.99Å
131	L	47.8	Very low	68	Low	82 Å²	82	98.8 Å²	98.8	43%	0.429	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.9	-177	-114.1	138.5	0	0	0	113.2	P120 K128 W135	P120-L131 WeakPolarHBondContact CG-O 3.48Å; K128-L131 WeakPolarHBondContact O-CB 3.43Å; L131-W135 PolarHBondContact O-NE1 2.94Å
132	L	54.3	Low	68.9	Low	66 Å²	66	93.5 Å²	93.5	35%	0.346	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.6	175	-70.6	171.3	0	0	0	112.6	F21 T24 L27 Q130 C134 W135	F21-L132 HydrophobicContact CB-CD2 4.25Å; F21-L132 HydrophobicContact CD1-CD2 4.09Å; F21-L132 HydrophobicContact CG-CD2 4.4Å; T24-L132 HydrophobicContact CG2-CD1 4.3Å; L27-L132 HydrophobicContact CD2-CD2 4.13Å; Q130-L132 PolarHBondContact O-N 3.1Å; Q130-L132 VanDerWaalsContact O-N 3.14Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 VanDerWaalsContact O-N 3.15Å; L132-W135 PolarHBondContact O-N 3.05Å
133	N	62.8	Low	70.2	Confident	131 Å²	131	87.1 Å²	87.1	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11.4	-173	-71.4	-16.4	0	0	0	114.1	Q130	Q130-N133 WeakPolarHBondContact O-CB 3.4Å; Q130-N133 PolarHBondContact O-N 2.99Å
134	C	79.6	Confident	71.7	Confident	68 Å²	68	82.6 Å²	82.6	46%	0.459	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.8	-177.7	-68.4	0	0	0	0	113.6	P120 L132 H136	P120-C134 HydrophobicContact CB-CB 3.5Å; P120-C134 VanDerWaalsContact CB-CB 3.5Å; P120-C134 HydrophobicContact CG-CB 3.65Å; L132-C134 PolarHBondContact O-N 2.88Å; L132-C134 VanDerWaalsContact O-N 3.15Å; C134-H136 PolarHBondContact O-ND1 2.78Å
135	W	92	Very high	73.4	Confident	11 Å²	11	77.9 Å²	77.9	4%	0.042	40%	0.404	C	S	.	.			trans	-67	135.9	170.9	-72	84.5	0	0	0	109.7	F21 L27 W37 L89 L117 Q119 P120 L131 L132	F21-W135 HydrophobicContact CE1-CB 3.99Å; F21-W135 AromaticContact CE1-CD2 3.73Å; F21-W135 HydrophobicContact CE1-CD2 3.73Å; F21-W135 HydrophobicContact CE1-CE3 4.15Å; F21-W135 AromaticContact CE1-CG 3.66Å; F21-W135 HydrophobicContact CE1-CG 3.66Å; F21-W135 HydrophobicContact CZ-CB 3.79Å; F21-W135 HydrophobicContact CZ-CD2 4.25Å; F21-W135 HydrophobicContact CZ-CE3 4.47Å; F21-W135 AromaticContact CZ-CG 3.99Å; F21-W135 HydrophobicContact CZ-CG 3.99Å; L27-W135 HydrophobicContact CB-CZ2 4.38Å; L27-W135 HydrophobicContact CD1-CZ2 4.34Å; W37-W135 AromaticContact CH2-CH2 3.95Å; W37-W135 HydrophobicContact CH2-CH2 3.95Å; W37-W135 AromaticContact CH2-CZ3 3.56Å; W37-W135 HydrophobicContact CH2-CZ3 3.56Å; W37-W135 HydrophobicContact CZ2-CZ3 4.4Å; W37-W135 AromaticContact CZ3-CH2 3.74Å; W37-W135 HydrophobicContact CZ3-CH2 3.74Å; W37-W135 AromaticContact CZ3-CZ3 3.64Å; W37-W135 HydrophobicContact CZ3-CZ3 3.64Å; L89-W135 HydrophobicContact CD1-CB 4.11Å; L89-W135 VanDerWaalsContact CD1-O 3.29Å; L89-W135 WeakPolarHBondContact CD1-O 3.48Å; L117-W135 HydrophobicContact CD1-CE3 3.74Å; L117-W135 HydrophobicContact CD1-CZ3 4.29Å; L117-W135 HydrophobicContact CD2-CE3 3.93Å; L117-W135 HydrophobicContact CD2-CZ3 3.63Å; L117-W135 HydrophobicContact CG-CE3 3.73Å; L117-W135 HydrophobicContact CG-CZ3 3.77Å; Q119-W135 HydrophobicContact CB-CE3 4.32Å; Q119-W135 HydrophobicContact CB-CH2 3.73Å; Q119-W135 HydrophobicContact CB-CZ2 4.11Å; Q119-W135 HydrophobicContact CB-CZ3 3.84Å; P120-W135 VanDerWaalsContact CD-CE2 3.4Å; P120-W135 HydrophobicContact CG-CD2 4.41Å; P120-W135 HydrophobicContact CG-CG 4.1Å; L131-W135 PolarHBondContact O-NE1 2.94Å; L132-W135 PolarHBondContact O-N 3.05Å
136	H	94.3	Very high	74.6	Confident	35 Å²	35	72.9 Å²	72.9	16%	0.162	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	163.3	179.4	61.1	-83.8	0	0	0	111.3	L90 I92 V118 C134	L90-H136 HydrophobicContact CB-CB 4Å; L90-H136 HydrophobicContact CD2-CB 4.12Å; L90-H136 HydrophobicContact CG-CB 4.06Å; L90-H136 CarbonylContact O-C 3.57Å; L90-H136 VanDerWaalsContact O-CA 3.27Å; L90-H136 WeakPolarHBondContact O-CA 3.41Å; L90-H136 WeakPolarHBondContact O-CB 3.19Å; I92-H136 WeakPolarHBondContact CD1-CD2 3.42Å; V118-H136 WeakPolarHBondContact CB-NE2 3.38Å; V118-H136 VanDerWaalsContact CG1-CE1 3.43Å; V118-H136 WeakPolarHBondContact CG1-CE1 3.45Å; V118-H136 PolarHBondContact N-O 2.88Å; V118-H136 PolarHBondContact O-N 2.78Å; C134-H136 PolarHBondContact O-ND1 2.78Å
137	I	95	Very high	74.9	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	172	-57.5	-57.9	0	0	0	109.3	L58 L60 L89 L90 I91 I92 V113 K116 L117 A139	L58-I137 HydrophobicContact CD1-CD1 3.76Å; L60-I137 HydrophobicContact CD1-CD1 4.3Å; L60-I137 HydrophobicContact CD1-CG1 3.86Å; L89-I137 HydrophobicContact CD2-CD1 3.8Å; L89-I137 HydrophobicContact CD2-CG1 3.52Å; L89-I137 HydrophobicContact CG-CG1 4.29Å; L90-I137 PolarHBondContact O-N 3.18Å; I91-I137 HydrophobicContact CD1-CB 3.67Å; I91-I137 HydrophobicContact CD1-CG1 3.75Å; I91-I137 HydrophobicContact CD1-CG2 4.42Å; I92-I137 PolarHBondContact N-O 3.43Å; V113-I137 HydrophobicContact CG1-CG2 4.25Å; K116-I137 CarbonylContact O-C 3.57Å; K116-I137 WeakPolarHBondContact O-CA 3.24Å; L117-I137 HydrophobicContact CB-CD1 4.1Å; L117-I137 HydrophobicContact CD1-CD1 3.62Å; L117-I137 HydrophobicContact CG-CD1 4.49Å; I137-A139 PolarHBondContact O-N 2.85Å
138	L	93.6	Very high	74.6	Confident	76 Å²	76	71.3 Å²	71.3	40%	0.398	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	99.2	160.1	-64.3	177.9	0	0	0	107.9	I92 G115 K116 V118 K140	I92-L138 HydrophobicContact CB-CD2 3.94Å; I92-L138 HydrophobicContact CD1-CD2 4.15Å; I92-L138 HydrophobicContact CG2-CD2 4.02Å; G115-L138 CarbonylContact C-O 3.57Å; G115-L138 WeakPolarHBondContact CA-O 3.44Å; K116-L138 PolarHBondContact N-O 2.95Å; K116-L138 PolarHBondContact O-N 2.99Å; V118-L138 HydrophobicContact CG2-CB 4.45Å; V118-L138 HydrophobicContact CG2-CD1 3.61Å; V118-L138 HydrophobicContact CG2-CG 3.63Å; L138-K140 PolarHBondContact O-N 3.47Å
139	A	93.4	Very high	74.4	Confident	15 Å²	15	67.6 Å²	67.6	12%	0.124	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.2	-179.1	0	0	0	0	0	110.5	I91 I92 Y93 V113 I137 V142	I91-A139 HydrophobicContact CG2-CB 3.63Å; I92-A139 WeakPolarHBondContact O-CB 3.3Å; I92-A139 PolarHBondContact O-N 2.89Å; Y93-A139 HydrophobicContact CD2-CB 4.02Å; Y93-A139 HydrophobicContact CG-CB 4.33Å; V113-A139 HydrophobicContact CG1-CB 3.82Å; I137-A139 PolarHBondContact O-N 2.85Å; A139-V142 HydrophobicContact CB-CG2 4.02Å
140	K	90.2	Very high	74.1	Confident	139 Å²	139	65.6 Å²	65.6	60%	0.604	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-33.9	167.5	-73.8	-164.6	169.2	-166.6	0	111.7	M57 I114 L138	M57-K140 HydrophobicContact SD-CD 3.96Å; I114-K140 PolarHBondContact O-N 3.46Å; L138-K140 PolarHBondContact O-N 3.47Å
141	S	89.2	Confident	73.7	Confident	41 Å²	41	66.6 Å²	66.6	29%	0.287	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.3	173.5	65.4	0	0	0	0	110.9	I114	I114-S141 WeakPolarHBondContact CB-OG 3.47Å; I114-S141 PolarHBondContact N-O 3.12Å; I114-S141 PolarHBondContact O-N 2.99Å; I114-S141 VanDerWaalsContact O-N 3.12Å
142	V	90.7	Very high	73.5	Confident	8 Å²	8	69.3 Å²	69.3	5%	0.048	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.3	169.1	-176.7	0	0	0	0	106.7	F80 Y93 Y103 V105 V111 A112 V113 A139	F80-V142 HydrophobicContact CE1-CG1 4.41Å; F80-V142 HydrophobicContact CE1-CG2 4.09Å; F80-V142 HydrophobicContact CZ-CG1 4.05Å; F80-V142 HydrophobicContact CZ-CG2 4.01Å; Y93-V142 HydrophobicContact CD1-CB 4.11Å; Y93-V142 HydrophobicContact CD1-CG2 3.58Å; Y93-V142 HydrophobicContact CD2-CG2 3.89Å; Y93-V142 HydrophobicContact CE1-CB 3.88Å; Y93-V142 HydrophobicContact CE1-CG2 3.82Å; Y93-V142 HydrophobicContact CE2-CG2 4.14Å; Y93-V142 HydrophobicContact CG-CG2 3.62Å; Y103-V142 HydrophobicContact CD1-CB 4.28Å; Y103-V142 HydrophobicContact CD1-CG1 3.8Å; Y103-V142 HydrophobicContact CE1-CG1 4Å; V105-V142 HydrophobicContact CG1-CG1 4.04Å; V111-V142 HydrophobicContact CB-CG1 4.02Å; V111-V142 HydrophobicContact CG1-CG1 4.24Å; V111-V142 HydrophobicContact CG2-CG1 4.26Å; A112-V142 CarbonylContact O-C 3.57Å; A112-V142 WeakPolarHBondContact O-CA 3.15Å; V113-V142 HydrophobicContact CG2-CG1 4.36Å; V113-V142 HydrophobicContact CG2-CG2 4.3Å; A139-V142 HydrophobicContact CB-CG2 4.02Å
143	T	90	Very high	72.8	Confident	46 Å²	46	75.6 Å²	75.6	28%	0.282	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.9	-176.1	-55.2	0	0	0	0	108.9	V111 A112 L145 F176 L179	V111-T143 CarbonylContact C-O 3.6Å; V111-T143 VanDerWaalsContact CA-O 3.28Å; V111-T143 WeakPolarHBondContact CA-O 3.46Å; A112-T143 PolarHBondContact N-O 2.85Å; A112-T143 PolarHBondContact O-N 2.93Å; T143-L145 PolarHBondContact O-N 3.11Å; T143-F176 HydrophobicContact CG2-CE1 3.81Å; T143-L179 HydrophobicContact CG2-CD1 4.38Å
144	H	88.7	Confident	71.7	Confident	41 Å²	41	77.5 Å²	77.5	19%	0.19	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.2	172.9	-169.8	-131.1	0	0	0	110.5	Y103 Y110 T146 D147 F176	Y103-H144 HydrophobicContact CD2-CB 4.18Å; Y103-H144 HydrophobicContact CE1-CB 4.19Å; Y103-H144 HydrophobicContact CE2-CB 3.59Å; Y103-H144 AromaticContact CE2-CG 3.99Å; Y103-H144 AromaticContact CZ-CD2 3.92Å; Y103-H144 AromaticContact CZ-CG 3.89Å; Y103-H144 PolarHBondContact OH-CD2 3Å; Y110-H144 PolarHBondContact O-CD2 3.1Å; H144-T146 PolarHBondContact CE1-O 3.04Å; H144-T146 PolarHBondContact NE2-O 2.67Å; H144-T146 VanDerWaalsContact NE2-O 3.12Å; H144-D147 IonicContact CE1-OD1 2.63Å; H144-F176 WeakPolarHBondContact O-CE1 3.28Å; H144-F176 WeakPolarHBondContact O-CZ 3.29Å
145	L	86	Confident	69.6	Low	33 Å²	33	79.2 Å²	79.2	17%	0.173	40%	0.398	C	S	.	.			trans	-103.4	-12	-177.2	-63.9	177.7	0	0	0	113.4	Q61 Y110 A112 T143 F176	Q61-L145 HydrophobicContact CG-CD1 4.05Å; Y110-L145 HydrophobicContact CD1-CB 3.8Å; Y110-L145 HydrophobicContact CD1-CD1 3.88Å; Y110-L145 HydrophobicContact CD1-CG 4.48Å; Y110-L145 HydrophobicContact CE1-CB 4.33Å; Y110-L145 HydrophobicContact CE1-CD1 3.67Å; Y110-L145 PolarHBondContact O-N 2.63Å; A112-L145 HydrophobicContact CB-CD1 3.92Å; A112-L145 HydrophobicContact CB-CD2 4.05Å; A112-L145 HydrophobicContact CB-CG 4.09Å; T143-L145 PolarHBondContact O-N 3.11Å; L145-F176 HydrophobicContact CD2-CD1 3.73Å; L145-F176 HydrophobicContact CD2-CE1 4.08Å
146	T	71.3	Confident	67	Low	30 Å²	30	87 Å²	87	18%	0.184	44%	0.435	C	S	.	.			trans	-148.7	108.3	-169.1	-52.4	0	0	0	0	116.1	H144 I149	H144-T146 PolarHBondContact CE1-O 3.04Å; H144-T146 PolarHBondContact NE2-O 2.67Å; H144-T146 VanDerWaalsContact NE2-O 3.12Å; T146-I149 HydrophobicContact CG2-CB 3.79Å; T146-I149 HydrophobicContact CG2-CD1 3.91Å; T146-I149 HydrophobicContact CG2-CG1 3.64Å
147	D	54.8	Low	64.4	Low	126 Å²	126	92 Å²	92	67%	0.674	46%	0.462	S	S	*	.	S	Bend	trans	-103.3	-2.5	137.6	-77.3	-39.2	0	0	0	112.2	H144	H144-D147 IonicContact CE1-OD1 2.63Å
148	Q	46.6	Very low	61.3	Low	104 Å²	104	100.5 Å²	100.5	49%	0.486	50%	0.499	S	S	.	.	S	Bend	trans	-98.2	-20.3	-161.6	-71.7	-172.3	-12.3	0	0	117	T150 Q151	Q148-T150 VanDerWaalsContact C-N 3.25Å; Q148-T150 PolarHBondContact O-N 2.97Å; Q148-Q151 PolarHBondContact O-N 3.02Å
149	I	46	Very low	58.5	Low	101 Å²	101	103 Å²	103	52%	0.518	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-30.7	-179.9	-63.9	173.1	0	0	0	110.7	T146	T146-I149 HydrophobicContact CG2-CB 3.79Å; T146-I149 HydrophobicContact CG2-CD1 3.91Å; T146-I149 HydrophobicContact CG2-CG1 3.64Å
150	T	40.9	Very low	55.5	Low	108 Å²	108	107.6 Å²	107.6	66%	0.663	55%	0.549	S	S	*	.	H	α-helix	trans	-85.7	-24.7	-177.9	-24.8	0	0	0	0	113.4	Q148 K154	Q148-T150 VanDerWaalsContact C-N 3.25Å; Q148-T150 PolarHBondContact O-N 2.97Å; T150-K154 PolarHBondContact O-N 3.3Å
151	Q	40.8	Very low	52.7	Low	137 Å²	137	106 Å²	106	64%	0.64	56%	0.555	S	S	*	*	H	α-helix	trans	-76.5	-30	-179.7	-85.6	-179.4	-0.3	0	0	113.3	Q148 K154 C155	Q148-Q151 PolarHBondContact O-N 3.02Å; Q151-K154 PolarHBondContact O-N 3.26Å; Q151-C155 WeakPolarHBondContact O-CB 3.18Å; Q151-C155 PolarHBondContact O-N 2.99Å
152	Q	42.4	Very low	50	Low	138 Å²	138	109.3 Å²	109.3	65%	0.645	58%	0.578	S	S	*	*	H	α-helix	trans	-67.7	-35.7	176.7	-80.1	-178.7	-19.4	0	0	112.5
153	Y	40.8	Very low	47.3	Very low	199 Å²	199	114.3 Å²	114.3	78%	0.78	61%	0.614	S	S	*	*	H	α-helix	trans	-78.7	-20.9	177.2	-77.2	-78.3	0	0	0	114.5
154	K	39.3	Very low	44.6	Very low	170 Å²	170	117.6 Å²	117.6	74%	0.739	64%	0.639	S	S	*	*	H	α-helix	trans	-90.3	-14.9	179.5	-149.6	176.2	-176.2	179.7	0	113.6	T150 Q151	T150-K154 PolarHBondContact O-N 3.3Å; Q151-K154 PolarHBondContact O-N 3.26Å
155	C	34.7	Very low	41.9	Very low	105 Å²	105	120.5 Å²	120.5	71%	0.709	66%	0.663	S	S	*	*	S	Bend	trans	-97.8	-4.1	-174.1	-147.5	0	0	0	0	114.9	Q151	Q151-C155 WeakPolarHBondContact O-CB 3.18Å; Q151-C155 PolarHBondContact O-N 2.99Å
156	E	38.9	Very low	39.5	Very low	174 Å²	174	124.8 Å²	124.8	81%	0.813	70%	0.696	S	S	*	*	S	Bend	trans	-104.3	-0.6	178	-70.3	-167.1	164.5	0	0	114.6
157	L	38.4	Very low	37.9	Very low	141 Å²	141	127.8 Å²	127.8	74%	0.738	72%	0.719	S	S	*	*	S	Bend	trans	-96.1	1.7	-177	-144.4	75.1	0	0	0	115.1
158	F	30.9	Very low	37	Very low	178 Å²	178	130.9 Å²	130.9	78%	0.781	73%	0.729	S	S	*	*	S	Bend	trans	-140.5	50.3	-177.9	-65.9	-71.6	0	0	0	114.5
159	T	35.3	Very low	36.5	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	75%	0.746	S	S	*	*			trans	-145.9	88.2	154.8	52.8	0	0	0	0	110.8
160	S	30.4	Very low	36.1	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	76%	0.759	S	S	*	*			trans	-69.8	135.1	153.4	-46.7	0	0	0	0	108.8
161	S	31.2	Very low	35.9	Very low	105 Å²	105	137 Å²	137	73%	0.734	76%	0.755	S	S	*	*			trans	85.5	116	157	-6	0	0	0	0	120
162	S	32.2	Very low	36	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	76%	0.757	S	S	*	*			trans	81.5	131.3	135.6	31.3	0	0	0	0	121.7
163	S	33.9	Very low	35.7	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	77%	0.765	S	S	*	*			trans	97.8	98.9	156.9	69.8	0	0	0	0	119.3
164	S	32.3	Very low	35.7	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	74%	0.735	S	S	*	*			trans	-0.2	113.8	138.3	54.5	0	0	0	0	117.9
165	S	34	Very low	35.8	Very low	101 Å²	101	123 Å²	123	71%	0.706	73%	0.726	S	S	*	*				-160.8	136.2	125.9	57.5	0	0	0	0	110.4	S167	S165-S167 PolarHBondContact O-N 3.03Å
166	S	34.1	Very low	36.1	Very low	124 Å²	124	121.6 Å²	121.6	87%	0.867	71%	0.708	S	S	*	*			trans	-58.3	98.1	169.9	53.4	0	0	0	0	109.6
167	S	37.5	Very low	36	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	70%	0.697	S	S	*	*			trans	-134.3	97.7	160	-68.2	0	0	0	0	105	S165 K169	S165-S167 PolarHBondContact O-N 3.03Å; S167-K169 PolarHBondContact O-N 2.86Å
168	Q	35.9	Very low	36.1	Very low	190 Å²	190	122 Å²	122	89%	0.888	70%	0.7	S	S	*	*			trans	-51.8	99.2	156.9	-81.3	175.1	-32.7	0	0	105	V170	Q168-V170 PolarHBondContact O-N 3.39Å
169	K	36.1	Very low	36.6	Very low	195 Å²	195	116.5 Å²	116.5	85%	0.848	68%	0.679	S	S	*	*			trans	-59.7	95.6	164.4	-93.3	-178.1	174.7	177.9	0	104	S167 M171	S167-K169 PolarHBondContact O-N 2.86Å; K169-M171 VanDerWaalsContact C-N 3.26Å; K169-M171 PolarHBondContact O-N 2.72Å
170	V	38	Very low	36.9	Very low	130 Å²	130	113.3 Å²	113.3	79%	0.788	66%	0.662	S	S	*	*			trans	-53	103.8	161.6	176.8	0	0	0	0	103.6	Q168 S172	Q168-V170 PolarHBondContact O-N 3.39Å; V170-S172 PolarHBondContact O-N 2.83Å
171	M	37.3	Very low	37.8	Very low	116 Å²	116	116 Å²	116	57%	0.571	66%	0.655	S	S	*	*			trans	-50.7	118.8	165.4	-79	173.8	65.4	0	0	104.4	K169 N173 Y177	K169-M171 VanDerWaalsContact C-N 3.26Å; K169-M171 PolarHBondContact O-N 2.72Å; M171-N173 PolarHBondContact O-N 3.41Å; M171-Y177 HydrophobicContact CE-CE2 4Å
172	S	42.5	Very low	38.2	Very low	98 Å²	98	114.8 Å²	114.8	69%	0.685	65%	0.645	S	S	*	*			trans	-52.3	111.9	166.3	50.9	0	0	0	0	105.1	V170 S174	V170-S172 PolarHBondContact O-N 2.83Å; S172-S174 PolarHBondContact O-N 3.16Å
173	N	36.6	Very low	38.7	Very low	152 Å²	152	117.8 Å²	117.8	81%	0.813	65%	0.651	S	S	*	*			trans	-51.4	96	174.2	-77.1	-17.3	0	0	0	106.3	M171 S175	M171-N173 PolarHBondContact O-N 3.41Å; N173-S175 PolarHBondContact O-N 3.03Å
174	S	41.3	Very low	38.9	Very low	22 Å²	22	120.7 Å²	120.7	15%	0.154	65%	0.652	C	S	.	*			trans	-69.2	125.9	172.7	70.9	0	0	0	0	103.3	S172 F176 Y177	S172-S174 PolarHBondContact O-N 3.16Å; S174-F176 PolarHBondContact O-N 3.5Å; S174-Y177 PolarHBondContact O-N 3.4Å
175	S	40.6	Very low	39.4	Very low	79 Å²	79	118.9 Å²	118.9	55%	0.552	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	1.3	177.4	36.2	0	0	0	0	114.1	N173	N173-S175 PolarHBondContact O-N 3.03Å
176	F	40.8	Very low	39.8	Very low	75 Å²	75	120.8 Å²	120.8	33%	0.329	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-26.1	173.8	-62.4	-73	0	0	0	113.9	T143 H144 L145 S174 E178 L179 S180	T143-F176 HydrophobicContact CG2-CE1 3.81Å; H144-F176 WeakPolarHBondContact O-CE1 3.28Å; H144-F176 WeakPolarHBondContact O-CZ 3.29Å; L145-F176 HydrophobicContact CD2-CD1 3.73Å; L145-F176 HydrophobicContact CD2-CE1 4.08Å; S174-F176 PolarHBondContact O-N 3.5Å; F176-E178 PolarHBondContact O-N 2.81Å; F176-L179 PolarHBondContact O-N 3.2Å; F176-L179 VanDerWaalsContact O-N 3.08Å; F176-S180 PolarHBondContact O-N 3.19Å; F176-S180 PolarHBondContact O-OG 3.31Å
177	Y	36.6	Very low	40.1	Very low	151 Å²	151	117.7 Å²	117.7	59%	0.592	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-28.8	171.6	-86	-78.3	0	0	0	111.9	M171 S174 L179 S180	M171-Y177 HydrophobicContact CE-CE2 4Å; S174-Y177 PolarHBondContact O-N 3.4Å; Y177-L179 PolarHBondContact O-N 2.63Å; Y177-S180 WeakPolarHBondContact CA-OG 3.44Å; Y177-S180 PolarHBondContact O-OG 3.18Å
178	E	40.2	Very low	40.3	Very low	172 Å²	172	121.2 Å²	121.2	80%	0.804	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-15.5	174.9	-68.2	-176.1	165.2	0	0	113.3	F176	F176-E178 PolarHBondContact O-N 2.81Å
179	L	42.1	Very low	40.9	Very low	64 Å²	64	113.7 Å²	113.7	34%	0.335	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.7	-20.3	178.8	-64.4	179.5	0	0	0	112.8	W59 T143 F176 Y177 W181	W59-L179 HydrophobicContact CH2-CB 3.81Å; W59-L179 HydrophobicContact CH2-CD2 4.15Å; W59-L179 WeakPolarHBondContact CH2-O 3.47Å; W59-L179 HydrophobicContact CZ2-CB 3.99Å; W59-L179 WeakPolarHBondContact CZ2-O 3.38Å; T143-L179 HydrophobicContact CG2-CD1 4.38Å; F176-L179 PolarHBondContact O-N 3.2Å; F176-L179 VanDerWaalsContact O-N 3.08Å; Y177-L179 PolarHBondContact O-N 2.63Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-W181 PolarHBondContact O-N 2.92Å
180	S	41.9	Very low	41.2	Very low	60 Å²	60	108.2 Å²	108.2	42%	0.42	56%	0.56	S	S	.	*	S	Bend	trans	-71.4	94.1	162.7	36.3	0	0	0	0	108.7	F176 Y177	F176-S180 PolarHBondContact O-N 3.19Å; F176-S180 PolarHBondContact O-OG 3.31Å; Y177-S180 WeakPolarHBondContact CA-OG 3.44Å; Y177-S180 PolarHBondContact O-OG 3.18Å
181	W	48.4	Very low	41.3	Very low	169 Å²	169	105.2 Å²	105.2	64%	0.64	55%	0.545	S	S	*	.			trans	-48.9	139.5	162	-77.8	91.5	0	0	0	108.4	W59 L179 L183	W59-W181 AromaticContact CE3-CD1 3.92Å; W59-W181 AromaticContact CZ3-CD1 3.39Å; W59-W181 AromaticContact CZ3-NE1 3.44Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-W181 PolarHBondContact O-N 2.92Å; W181-L183 PolarHBondContact O-N 3.18Å; W181-L183 VanDerWaalsContact O-N 3.1Å
182	P	40.3	Very low	41.2	Very low	80 Å²	80	109 Å²	109	52%	0.519	58%	0.575	S	S	.	*			trans	-55.8	125.4	178.1	-9.2	18.4	0	0	0	107.8	E184 V185	P182-E184 PolarHBondContact O-N 2.89Å; P182-V185 HydrophobicContact CB-CG2 4.17Å; P182-V185 HydrophobicContact CG-CG2 3.92Å; P182-V185 PolarHBondContact O-N 2.79Å
183	L	42.1	Very low	41.2	Very low	173 Å²	173	109.6 Å²	109.6	91%	0.906	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-7.3	176.4	-70.5	164	0	0	0	112.7	W181	W181-L183 PolarHBondContact O-N 3.18Å; W181-L183 VanDerWaalsContact O-N 3.1Å
184	E	39.3	Very low	41.4	Very low	175 Å²	175	107.4 Å²	107.4	82%	0.818	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	1.4	-178.4	-63.5	173.6	179.9	0	0	114	P182 I186	P182-E184 PolarHBondContact O-N 2.89Å; E184-I186 VanDerWaalsContact C-N 3.27Å; E184-I186 PolarHBondContact O-N 3.17Å
185	V	42.1	Very low	41.4	Very low	77 Å²	77	112.1 Å²	112.1	47%	0.467	58%	0.579	S	S	.	*			trans	-70.8	93.6	169.2	-175.5	0	0	0	0	107.7	P182 D187	P182-V185 HydrophobicContact CB-CG2 4.17Å; P182-V185 HydrophobicContact CG-CG2 3.92Å; P182-V185 PolarHBondContact O-N 2.79Å; V185-D187 PolarHBondContact O-N 2.92Å
186	I	41.6	Very low	41.5	Very low	142 Å²	142	114.1 Å²	114.1	73%	0.728	58%	0.58	S	S	*	*			trans	-47.1	113.1	159.7	-68	168.7	0	0	0	105.8	E184 M188	E184-I186 VanDerWaalsContact C-N 3.27Å; E184-I186 PolarHBondContact O-N 3.17Å; I186-M188 PolarHBondContact O-N 2.72Å
187	D	41.3	Very low	41.5	Very low	58 Å²	58	116.5 Å²	116.5	31%	0.31	60%	0.596	S	S	.	*			trans	-51.2	99.3	178.8	-106.4	-12.6	0	0	0	108.8	R13 V185 T189 Y190	R13-D187 IonicContact CZ-OD1 3.31Å; R13-D187 IonicContact CZ-OD2 3.94Å; R13-D187 VanDerWaalsContact CZ-OD2 3.31Å; R13-D187 IonicContact NE-OD1 2.97Å; R13-D187 IonicContact NE-OD2 2.67Å; R13-D187 PolarHBondContact NE-OD2 2.97Å; R13-D187 IonicContact NH2-OD1 3.04Å; R13-D187 PolarHBondContact NH2-OD1 3.06Å; R13-D187 IonicContact NH2-OD2 3.66Å; R13-D187 PolarHBondContact NH2-OD2 2.94Å; V185-D187 PolarHBondContact O-N 2.92Å; D187-T189 PolarHBondContact O-N 3.07Å; D187-Y190 HydrophobicContact CB-CD2 4.24Å; D187-Y190 HydrophobicContact CB-CE2 3.66Å; D187-Y190 WeakPolarHBondContact O-CD2 3.35Å
188	M	42.1	Very low	41.8	Very low	167 Å²	167	114.2 Å²	114.2	82%	0.823	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	21.2	176.6	-70.4	-160.8	-56.9	0	0	112.5	I186	I186-M188 PolarHBondContact O-N 2.72Å
189	T	46.7	Very low	41.9	Very low	33 Å²	33	110.1 Å²	110.1	20%	0.202	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-113.8	4.4	-167.6	58.2	0	0	0	0	111.7	P10 R13 D187 S191	P10-T189 HydrophobicContact CB-CG2 3.88Å; P10-T189 HydrophobicContact CG-CG2 3.53Å; R13-T189 PolarHBondContact NH1-OG1 3.36Å; R13-T189 VanDerWaalsContact NH1-OG1 3.11Å; R13-T189 VanDerWaalsContact NH2-CG2 3.33Å; R13-T189 PolarHBondContact NH2-OG1 2.96Å; D187-T189 PolarHBondContact O-N 3.07Å; T189-S191 PolarHBondContact O-N 2.84Å
190	Y	43.3	Very low	41.9	Very low	79 Å²	79	113.6 Å²	113.6	31%	0.31	60%	0.6	S	S	.	*			trans	-73.1	102.7	164.1	-60.8	-68.3	0	0	0	106.9	K51 L53 D187 V192	K51-Y190 HydrophobicContact CB-CD1 3.97Å; K51-Y190 HydrophobicContact CB-CE1 4.35Å; K51-Y190 HydrophobicContact CD-CD1 3.66Å; K51-Y190 HydrophobicContact CD-CE1 4.07Å; K51-Y190 HydrophobicContact CD-CG 4.12Å; K51-Y190 HydrophobicContact CG-CD1 4.19Å; L53-Y190 HydrophobicContact CD2-CE1 3.97Å; D187-Y190 HydrophobicContact CB-CD2 4.24Å; D187-Y190 HydrophobicContact CB-CE2 3.66Å; D187-Y190 WeakPolarHBondContact O-CD2 3.35Å; Y190-V192 PolarHBondContact O-N 2.97Å
191	S	40.5	Very low	41.9	Very low	67 Å²	67	118.1 Å²	118.1	47%	0.469	62%	0.615	S	S	.	*			trans	-62.5	116	162.9	60.4	0	0	0	0	107.4	T189	T189-S191 PolarHBondContact O-N 2.84Å
192	V	35.3	Very low	41.3	Very low	197 Å²	197	113.5 Å²	113.5	100%	1.194	61%	0.613	S	S	*	*			trans	-69.6	0	169.8	-175.1	0	0	0	0	109.6	Y190	Y190-V192 PolarHBondContact O-N 2.97Å

Retrieved 192 of 192 residues in 53.6 ms (Link to these results)

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