A0A077Z8W8_TRITR Loading...

Reeler and EGF 2 and DUF1794 and EGF and ShK doma in containing protein

AlphaFold DB , UniProt , Accession A0A077Z8W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 508 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	32.5	Very low	37.9	Very low	244 Å²	244	122 Å²	122	100%	1.202	65%	0.649	S	S	*	*				0	122.1	0	-68.6	171	179.9	0	0	107.2
2	R	27.3	Very low	39.3	Very low	237 Å²	237	118.8 Å²	118.8	89%	0.894	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.8	170.8	-71.4	179.9	-176.6	171.1	1.1	107.3	N4	R2-N4 PolarHBondContact O-N 3.02Å
3	P	34.1	Very low	40.2	Very low	123 Å²	123	121.3 Å²	121.3	80%	0.799	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.6	169.2	-6.8	19.7	0	0	0	106.8
4	N	32.7	Very low	41.5	Very low	147 Å²	147	116.5 Å²	116.5	79%	0.786	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-52.5	140.3	168.2	-95.7	-5.2	0	0	0	108	R2 L6	R2-N4 PolarHBondContact O-N 3.02Å; N4-L6 PolarHBondContact O-N 2.98Å; N4-L6 VanDerWaalsContact O-N 3.13Å
5	P	38.1	Very low	43	Very low	106 Å²	106	117.7 Å²	117.7	69%	0.688	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-49.6	125.9	168.4	-19.5	30.1	0	0	0	107.8	E7	P5-E7 PolarHBondContact O-N 3.24Å
6	L	36.7	Very low	44.5	Very low	135 Å²	135	113.6 Å²	113.6	71%	0.707	61%	0.61	S	S	*	*			trans	-60.7	92.5	166.1	-86.5	152.9	0	0	0	106.7	N4 H8	N4-L6 PolarHBondContact O-N 2.98Å; N4-L6 VanDerWaalsContact O-N 3.13Å; L6-H8 PolarHBondContact O-N 3.43Å
7	E	39.5	Very low	46.1	Very low	174 Å²	174	107.7 Å²	107.7	81%	0.813	58%	0.58	S	S	*	*			trans	-76.4	111.5	163.4	-76.1	-172	164.2	0	0	106.7	P5 G9	P5-E7 PolarHBondContact O-N 3.24Å; E7-G9 PolarHBondContact O-N 3.29Å
8	H	40.4	Very low	47.8	Very low	49 Å²	49	102.3 Å²	102.3	23%	0.227	55%	0.55	C	S	.	.			trans	-63.3	128.4	170.5	-59.3	-62.9	0	0	0	108.2	L6 Q54 V124 T126 W135	L6-H8 PolarHBondContact O-N 3.43Å; H8-Q54 PolarHBondContact NE2-OE1 3.36Å; H8-V124 HydrophobicContact CB-CG1 4.49Å; H8-T126 PolarHBondContact CE1-OG1 3.24Å; H8-T126 PolarHBondContact ND1-OG1 3.46Å; H8-W135 HydrophobicContact CB-CD2 4.44Å; H8-W135 HydrophobicContact CB-CE3 4.44Å; H8-W135 HydrophobicContact CB-CH2 4.4Å; H8-W135 HydrophobicContact CB-CZ2 4.32Å; H8-W135 HydrophobicContact CB-CZ3 4.49Å
9	G	43.2	Very low	49.4	Very low	51 Å²	51	104.4 Å²	104.4	53%	0.526	55%	0.554	S	S	.	*			trans	-71.1	-136.1	-178.3	0	0	0	0	0	113.2	E7 W135	E7-G9 PolarHBondContact O-N 3.29Å; G9-W135 WeakPolarHBondContact O-CH2 2.8Å; G9-W135 WeakPolarHBondContact O-CZ2 3.02Å
10	P	45.2	Very low	51.1	Low	57 Å²	57	101 Å²	101	37%	0.37	53%	0.534	S	S	.	.	S	Bend	trans	-91.3	147.6	156.8	33.8	-30.7	0	0	0	113.5	Q12 W135 I457	P10-Q12 PolarHBondContact O-N 3.09Å; P10-W135 WeakPolarHBondContact O-CZ2 3.2Å; P10-W135 PolarHBondContact O-NE1 3.28Å; P10-I457 HydrophobicContact CG-CG2 4.17Å
11	P	47.8	Very low	52.6	Low	19 Å²	19	98.3 Å²	98.3	12%	0.123	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-52.8	140.1	-174.1	-25	30.5	0	0	0	111.2	Q13 W135 F137 L161	P11-Q13 PolarHBondContact O-N 2.92Å; P11-W135 VanDerWaalsContact CA-CZ2 3.47Å; P11-W135 HydrophobicContact CB-CH2 4.32Å; P11-W135 HydrophobicContact CB-CZ3 4.29Å; P11-W135 HydrophobicContact CG-CE3 4.32Å; P11-W135 HydrophobicContact CG-CH2 3.7Å; P11-W135 HydrophobicContact CG-CZ2 4.33Å; P11-W135 HydrophobicContact CG-CZ3 3.67Å; P11-F137 HydrophobicContact CG-CE1 4.32Å; P11-L161 HydrophobicContact CG-CB 4.24Å; P11-L161 WeakPolarHBondContact CG-O 3Å
12	Q	53.9	Low	55.2	Low	83 Å²	83	86.7 Å²	86.7	39%	0.388	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-56.8	133.9	171.8	-86.1	-170.4	-24.7	0	0	109.6	P10 S14 I133	P10-Q12 PolarHBondContact O-N 3.09Å; Q12-S14 PolarHBondContact O-N 3.31Å; Q12-I133 PolarHBondContact NE2-O 3.2Å; Q12-I133 VanDerWaalsContact OE1-C 3.3Å; Q12-I133 PolarHBondContact OE1-O 2.82Å
13	Q	50.8	Low	58	Low	152 Å²	152	75.7 Å²	75.7	71%	0.71	42%	0.423	S	S	*	.	S	Bend	trans	-70.9	-14.3	-176.2	-71.1	-175.6	-4.4	0	0	114	P11	P11-Q13 PolarHBondContact O-N 2.92Å
14	S	58.9	Low	60.3	Low	54 Å²	54	71.1 Å²	71.1	38%	0.378	39%	0.392	S	S	.	.	S	Bend	trans	-70.2	137.4	173	51.9	0	0	0	0	110.6	Q12 P16 Y134	Q12-S14 PolarHBondContact O-N 3.31Å; S14-P16 WeakPolarHBondContact O-CD 2.81Å; S14-Y134 VanDerWaalsContact OG-CE1 3.25Å; S14-Y134 WeakPolarHBondContact OG-CE1 3.45Å
15	V	63.6	Low	62.8	Low	134 Å²	134	68.1 Å²	68.1	81%	0.812	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-51	116.1	172.6	-179.1	0	0	0	0	108.7
16	P	68	Low	65	Low	53 Å²	53	69.9 Å²	69.9	34%	0.344	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.8	140	-178.9	21.6	-29.4	0	0	0	109.3	S14 Y18 Y134	S14-P16 WeakPolarHBondContact O-CD 2.81Å; P16-Y18 HydrophobicContact CB-CD1 3.77Å; P16-Y18 HydrophobicContact CB-CD2 4.36Å; P16-Y18 HydrophobicContact CB-CE1 3.47Å; P16-Y18 VanDerWaalsContact CB-CE1 3.47Å; P16-Y18 HydrophobicContact CB-CE2 4.11Å; P16-Y18 HydrophobicContact CB-CG 4.19Å; P16-Y18 PolarHBondContact O-N 3.24Å; P16-Y134 HydrophobicContact CB-CD1 4.49Å
17	P	70.7	Confident	67.2	Low	13 Å²	13	67.3 Å²	67.3	8%	0.084	37%	0.371	C	S	.	.	S	Bend	trans	-75.6	28.3	179.5	32.8	-36.1	0	0	0	112.3	G44 T45 T46 K129 Y134	P17-G44 WeakPolarHBondContact O-CA 3.33Å; P17-T45 PolarHBondContact O-N 3.37Å; P17-T45 PolarHBondContact O-OG1 2.81Å; P17-T46 HydrophobicContact CB-CG2 4.41Å; P17-K129 HydrophobicContact CB-CD 4.28Å; P17-K129 HydrophobicContact CG-CD 3.84Å; P17-Y134 HydrophobicContact CG-CD2 4.03Å; P17-Y134 HydrophobicContact CG-CE2 3.95Å; P17-Y134 HydrophobicContact CG-CG 4.38Å
18	Y	76.3	Confident	69.2	Low	11 Å²	11	65.5 Å²	65.5	4%	0.043	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152.7	-174.4	65.3	-99.4	0	0	0	112.7	P16 F20 L42 S43 F48 V127 W135 A136	P16-Y18 HydrophobicContact CB-CD1 3.77Å; P16-Y18 HydrophobicContact CB-CD2 4.36Å; P16-Y18 HydrophobicContact CB-CE1 3.47Å; P16-Y18 VanDerWaalsContact CB-CE1 3.47Å; P16-Y18 HydrophobicContact CB-CE2 4.11Å; P16-Y18 HydrophobicContact CB-CG 4.19Å; P16-Y18 PolarHBondContact O-N 3.24Å; Y18-F20 HydrophobicContact CD2-CB 4.12Å; Y18-F20 HydrophobicContact CE2-CB 4.1Å; Y18-L42 HydrophobicContact CD2-CD1 3.38Å; Y18-L42 HydrophobicContact CE2-CD1 4.02Å; Y18-L42 HydrophobicContact CG-CD1 3.82Å; Y18-S43 CarbonylContact C-O 3.52Å; Y18-S43 WeakPolarHBondContact CA-O 3.33Å; Y18-S43 VanDerWaalsContact CB-O 3.26Å; Y18-S43 WeakPolarHBondContact CB-O 3.24Å; Y18-F48 VanDerWaalsContact CB-CZ 3.4Å; Y18-F48 HydrophobicContact CD1-CE1 4.27Å; Y18-F48 HydrophobicContact CG-CE1 4.46Å; Y18-F48 HydrophobicContact CG-CZ 4.37Å; Y18-V127 HydrophobicContact CD1-CB 3.87Å; Y18-V127 HydrophobicContact CD1-CG1 4.07Å; Y18-V127 HydrophobicContact CD1-CG2 3.64Å; Y18-V127 HydrophobicContact CD2-CG2 4.48Å; Y18-V127 HydrophobicContact CE1-CB 3.59Å; Y18-V127 HydrophobicContact CE1-CG1 4.27Å; Y18-V127 HydrophobicContact CE1-CG2 3.43Å; Y18-V127 VanDerWaalsContact CE1-CG2 3.43Å; Y18-V127 HydrophobicContact CE2-CG2 4.32Å; Y18-V127 HydrophobicContact CG-CG2 4.18Å; Y18-W135 WeakPolarHBondContact OH-CA 2.87Å; Y18-W135 PolarHBondContact OH-N 3Å; Y18-A136 HydrophobicContact CE2-CB 4.29Å; Y18-A136 PolarHBondContact OH-N 2.86Å
19	F	79.6	Confident	71	Confident	142 Å²	142	67.2 Å²	67.2	62%	0.623	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	133.4	166.2	-58.7	-80.4	0	0	0	109.1	L42 S43 T45	F19-L42 CarbonylContact O-C 3.55Å; F19-L42 WeakPolarHBondContact O-CA 3.15Å; F19-S43 PolarHBondContact N-O 3.04Å; F19-S43 PolarHBondContact O-N 2.77Å; F19-T45 HydrophobicContact CD2-CG2 4.48Å; F19-T45 HydrophobicContact CE2-CG2 3.73Å
20	F	83	Confident	72.6	Confident	36 Å²	36	65.2 Å²	65.2	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.3	177	163.3	-137.6	0	0	0	108.1	Y18 V22 I40 R41 L42 F123 V125 W138	Y18-F20 HydrophobicContact CD2-CB 4.12Å; Y18-F20 HydrophobicContact CE2-CB 4.1Å; F20-V22 HydrophobicContact CE2-CG2 3.78Å; F20-V22 HydrophobicContact CZ-CG2 3.91Å; F20-I40 HydrophobicContact CD2-CG2 3.93Å; F20-I40 HydrophobicContact CE2-CB 4.47Å; F20-I40 HydrophobicContact CE2-CG1 4.45Å; F20-I40 HydrophobicContact CE2-CG2 3.47Å; F20-I40 VanDerWaalsContact CE2-CG2 3.47Å; F20-R41 WeakPolarHBondContact CA-O 3.46Å; F20-L42 HydrophobicContact CB-CD1 4.15Å; F20-F123 HydrophobicContact CE2-CB 4.42Å; F20-F123 HydrophobicContact CZ-CB 3.67Å; F20-V125 HydrophobicContact CD1-CB 4.3Å; F20-V125 HydrophobicContact CD1-CG2 3.7Å; F20-V125 HydrophobicContact CD2-CG2 3.63Å; F20-V125 HydrophobicContact CE1-CB 4.43Å; F20-V125 HydrophobicContact CE1-CG2 3.6Å; F20-V125 HydrophobicContact CE2-CG2 3.6Å; F20-V125 HydrophobicContact CG-CB 4.47Å; F20-V125 HydrophobicContact CG-CG2 3.69Å; F20-V125 HydrophobicContact CZ-CG2 3.56Å; F20-W138 HydrophobicContact CD1-CB 4.47Å; F20-W138 HydrophobicContact CE1-CB 3.53Å; F20-W138 HydrophobicContact CZ-CB 3.55Å
21	T	83.3	Confident	73.8	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.27	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.3	178.2	-169	0	0	0	0	111	L23 R41	T21-L23 HydrophobicContact CG2-CD2 3.95Å; T21-L23 HydrophobicContact CG2-CG 4.18Å; T21-R41 HydrophobicContact CG2-CB 3.78Å; T21-R41 HydrophobicContact CG2-CG 4.35Å; T21-R41 PolarHBondContact N-O 3.01Å; T21-R41 PolarHBondContact O-N 2.84Å
22	V	86	Confident	74.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.9	176	-174.1	0	0	0	0	107.2	F20 V30 Y38 I40 F123 W138	F20-V22 HydrophobicContact CE2-CG2 3.78Å; F20-V22 HydrophobicContact CZ-CG2 3.91Å; V22-V30 HydrophobicContact CG1-CG2 3.99Å; V22-V30 WeakPolarHBondContact O-CG2 2.97Å; V22-V30 PolarHBondContact O-N 2.99Å; V22-Y38 HydrophobicContact CG1-CD1 3.98Å; V22-Y38 HydrophobicContact CG1-CG 4.12Å; V22-I40 HydrophobicContact CG2-CG1 4.33Å; V22-F123 HydrophobicContact CB-CD2 4.49Å; V22-F123 HydrophobicContact CG1-CD2 3.86Å; V22-F123 HydrophobicContact CG1-CE2 3.79Å; V22-F123 HydrophobicContact CG2-CB 4.31Å; V22-F123 HydrophobicContact CG2-CD2 3.8Å; V22-F123 HydrophobicContact CG2-CG 4.32Å; V22-W138 HydrophobicContact CB-CD2 3.82Å; V22-W138 HydrophobicContact CB-CE3 4.44Å; V22-W138 HydrophobicContact CB-CG 3.94Å; V22-W138 HydrophobicContact CB-CZ2 4.27Å; V22-W138 HydrophobicContact CG2-CB 3.67Å; V22-W138 VanDerWaalsContact CG2-CD1 3.47Å; V22-W138 HydrophobicContact CG2-CD2 3.56Å; V22-W138 HydrophobicContact CG2-CE3 4.19Å; V22-W138 HydrophobicContact CG2-CG 3.26Å
23	L	85.6	Confident	75.4	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.031	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.8	-174.5	-51.3	174.4	0	0	0	110.4	T21 K28 P29 V30 Y38 T39 R41	T21-L23 HydrophobicContact CG2-CD2 3.95Å; T21-L23 HydrophobicContact CG2-CG 4.18Å; L23-K28 CarbonylContact C-O 3.56Å; L23-K28 VanDerWaalsContact CA-O 3.27Å; L23-K28 WeakPolarHBondContact CA-O 3.32Å; L23-P29 HydrophobicContact CD2-CG 4.32Å; L23-V30 VanDerWaalsContact C-CG2 3.42Å; L23-Y38 CarbonylContact O-C 3.51Å; L23-Y38 WeakPolarHBondContact O-CA 3.04Å; L23-T39 PolarHBondContact N-O 3.19Å; L23-T39 PolarHBondContact O-N 3.01Å; L23-R41 HydrophobicContact CD1-CB 4.46Å
24	D	84.2	Confident	76.1	Confident	27 Å²	27	68 Å²	68	14%	0.144	37%	0.372	C	S	.	.			trans	-78.4	-178.3	171.5	68.9	13.9	0	0	0	111.4	H26 S27 K28 V30	D24-H26 PolarHBondContact O-N 3.06Å; D24-H26 VanDerWaalsContact O-N 3.12Å; D24-H26 VanDerWaalsContact OD1-CA 3.23Å; D24-H26 WeakPolarHBondContact OD1-CA 3.31Å; D24-H26 WeakPolarHBondContact OD1-CB 3.46Å; D24-H26 PolarHBondContact OD1-N 2.82Å; D24-S27 PolarHBondContact O-N 3.35Å; D24-S27 PolarHBondContact OD1-N 3.46Å; D24-S27 VanDerWaalsContact OD1-N 3.08Å; D24-K28 PolarHBondContact N-O 3.28Å; D24-K28 PolarHBondContact OD1-N 2.95Å; D24-V30 HydrophobicContact CB-CG2 4.19Å
25	V	84.1	Confident	76.5	Confident	85 Å²	85	68.6 Å²	68.6	52%	0.515	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.3	176.7	-64	0	0	0	0	114.2	T37	V25-T37 HydrophobicContact CG1-CG2 3.87Å
26	H	84.4	Confident	77.1	Confident	142 Å²	142	67.7 Å²	67.7	66%	0.657	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	15	176.6	-58.6	-57.5	0	0	0	112.1	D24 K28	D24-H26 PolarHBondContact O-N 3.06Å; D24-H26 VanDerWaalsContact O-N 3.12Å; D24-H26 VanDerWaalsContact OD1-CA 3.23Å; D24-H26 WeakPolarHBondContact OD1-CA 3.31Å; D24-H26 WeakPolarHBondContact OD1-CB 3.46Å; D24-H26 PolarHBondContact OD1-N 2.82Å; H26-K28 HydrophobicContact CB-CG 4.47Å; H26-K28 PolarHBondContact O-N 2.81Å
27	S	82	Confident	77.9	Confident	82 Å²	82	66.5 Å²	66.5	57%	0.573	35%	0.348	S	S	*	.	S	Bend	trans	58.8	23.5	-178	-60.6	0	0	0	0	113.8	D24	D24-S27 PolarHBondContact O-N 3.35Å; D24-S27 PolarHBondContact OD1-N 3.46Å; D24-S27 VanDerWaalsContact OD1-N 3.08Å
28	K	82	Confident	78.7	Confident	136 Å²	136	66 Å²	66	59%	0.591	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-96.5	144.6	174.7	-63.4	-178.4	-180	176.6	0	109.6	L23 D24 H26 V30	L23-K28 CarbonylContact C-O 3.56Å; L23-K28 VanDerWaalsContact CA-O 3.27Å; L23-K28 WeakPolarHBondContact CA-O 3.32Å; D24-K28 PolarHBondContact N-O 3.28Å; D24-K28 PolarHBondContact OD1-N 2.95Å; H26-K28 HydrophobicContact CB-CG 4.47Å; H26-K28 PolarHBondContact O-N 2.81Å; K28-V30 PolarHBondContact O-N 2.8Å
29	P	78.4	Confident	79.3	Confident	85 Å²	85	66.6 Å²	66.6	55%	0.552	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-54.9	126.2	174.6	-25.4	34.3	0	0	0	111.2	L23 K31	L23-P29 HydrophobicContact CD2-CG 4.32Å; P29-K31 PolarHBondContact O-N 2.81Å
30	V	77.6	Confident	79.7	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.055	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-62.5	134.9	179.2	178.8	0	0	0	0	108.9	V22 L23 D24 K28 E32 Y38 W138	V22-V30 HydrophobicContact CG1-CG2 3.99Å; V22-V30 WeakPolarHBondContact O-CG2 2.97Å; V22-V30 PolarHBondContact O-N 2.99Å; L23-V30 VanDerWaalsContact C-CG2 3.42Å; D24-V30 HydrophobicContact CB-CG2 4.19Å; K28-V30 PolarHBondContact O-N 2.8Å; V30-E32 WeakPolarHBondContact CG1-O 3.37Å; V30-Y38 HydrophobicContact CB-CE1 4.4Å; V30-Y38 HydrophobicContact CG1-CD1 4.34Å; V30-Y38 HydrophobicContact CG1-CE1 3.73Å; V30-Y38 HydrophobicContact CG2-CD1 3.56Å; V30-Y38 HydrophobicContact CG2-CE1 3.78Å; V30-W138 HydrophobicContact CB-CH2 3.81Å; V30-W138 HydrophobicContact CB-CZ2 3.57Å; V30-W138 HydrophobicContact CG1-CH2 3.45Å; V30-W138 VanDerWaalsContact CG1-CH2 3.45Å; V30-W138 HydrophobicContact CG1-CZ2 3.74Å; V30-W138 WeakPolarHBondContact O-CZ2 3.25Å
31	K	69.2	Low	79.9	Confident	130 Å²	130	62.4 Å²	62.4	57%	0.565	33%	0.328	S	S	*	.			trans	-105.5	-25.9	-178.6	-71.3	177	179.5	176	0	113.3	P29 P140 K141	P29-K31 PolarHBondContact O-N 2.81Å; K31-P140 VanDerWaalsContact O-CB 3.25Å; K31-P140 WeakPolarHBondContact O-CB 2.91Å; K31-K141 HydrophobicContact CB-CD 4.1Å; K31-K141 HydrophobicContact CB-CG 4.4Å; K31-K141 HydrophobicContact CD-CD 4.46Å; K31-K141 HydrophobicContact CG-CD 4.18Å; K31-K141 HydrophobicContact CG-CG 4.31Å
32	E	68.2	Low	79.9	Confident	146 Å²	146	60.3 Å²	60.3	68%	0.682	32%	0.316	S	S	*	.	S	Bend	trans	-146.9	153.4	-177.5	-65.8	-179.8	-169.8	0	0	108.7	V30 G34	V30-E32 WeakPolarHBondContact CG1-O 3.37Å; E32-G34 PolarHBondContact O-N 2.83Å
33	Y	67.8	Low	79.8	Confident	36 Å²	36	61.9 Å²	61.9	14%	0.141	33%	0.327	C	S	.	.	S	Bend	trans	-71.1	119.9	170.7	-56.2	-76	0	0	0	109.2	G62 P120 V121 W138 P140	Y33-G62 VanDerWaalsContact OH-CA 3.29Å; Y33-G62 WeakPolarHBondContact OH-CA 3.2Å; Y33-P120 HydrophobicContact CD1-CB 4.06Å; Y33-P120 HydrophobicContact CD2-CB 3.46Å; Y33-P120 VanDerWaalsContact CD2-CB 3.46Å; Y33-P120 HydrophobicContact CD2-CG 4.03Å; Y33-P120 HydrophobicContact CE1-CB 4.32Å; Y33-P120 HydrophobicContact CE2-CB 3.73Å; Y33-P120 HydrophobicContact CG-CB 3.61Å; Y33-P120 HydrophobicContact CG-CG 4.32Å; Y33-V121 VanDerWaalsContact CD1-N 3.27Å; Y33-V121 WeakPolarHBondContact CD1-O 3.03Å; Y33-V121 WeakPolarHBondContact CE1-O 3.45Å; Y33-W138 HydrophobicContact CD1-CH2 4.43Å; Y33-W138 AromaticContact CD1-CZ3 3.77Å; Y33-W138 HydrophobicContact CD1-CZ3 3.77Å; Y33-W138 HydrophobicContact CE1-CE3 4.06Å; Y33-W138 HydrophobicContact CE1-CH2 4.34Å; Y33-W138 AromaticContact CE1-CZ3 3.4Å; Y33-W138 HydrophobicContact CE1-CZ3 3.4Å; Y33-W138 VanDerWaalsContact CE1-CZ3 3.4Å; Y33-P140 HydrophobicContact CD1-CG 3.9Å; Y33-P140 HydrophobicContact CD2-CG 3.39Å; Y33-P140 HydrophobicContact CE1-CG 3.61Å; Y33-P140 HydrophobicContact CE2-CG 3.12Å; Y33-P140 HydrophobicContact CG-CG 3.8Å; Y33-P140 WeakPolarHBondContact OH-CD 3.41Å
34	G	65.8	Low	79.2	Confident	58 Å²	58	62.5 Å²	62.5	60%	0.598	33%	0.334	S	S	*	.			trans	-174.4	-22.8	179.7	0	0	0	0	0	115.4	E32 Y38	E32-G34 PolarHBondContact O-N 2.83Å; G34-Y38 PolarHBondContact N-OH 2.78Å
35	D	67.4	Low	78.4	Confident	66 Å²	66	65.6 Å²	65.6	35%	0.353	35%	0.354	S	S	.	.			trans	-81	151.8	-176.3	-62.6	-40.1	0	0	0	113.1	T37 Y38	D35-T37 VanDerWaalsContact C-N 3.3Å; D35-Y38 HydrophobicContact CB-CD1 4.26Å; D35-Y38 HydrophobicContact CB-CE1 3.67Å; D35-Y38 PolarHBondContact N-OH 2.81Å; D35-Y38 WeakPolarHBondContact O-CE2 3.32Å; D35-Y38 PolarHBondContact O-OH 3.12Å
36	K	76.1	Confident	77.8	Confident	114 Å²	114	63.3 Å²	63.3	50%	0.496	34%	0.34	S	S	.	.	S	Bend	trans	-81.1	-11.3	173.5	-68.8	-168.1	-178.1	-161.4	0	112.9	K113 T114 E115	K36-K113 CarbonylContact O-C 3.28Å; K36-K113 VanDerWaalsContact O-CA 3.32Å; K36-K113 WeakPolarHBondContact O-CA 3.15Å; K36-T114 WeakPolarHBondContact CB-O 3.25Å; K36-T114 PolarHBondContact O-N 2.79Å; K36-E115 PolarHBondContact NZ-O 2.87Å
37	T	84.8	Confident	77.2	Confident	29 Å²	29	59.8 Å²	59.8	18%	0.178	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	127.1	-173.6	-65.3	0	0	0	0	108.8	V25 D35 T111 W112 K113	V25-T37 HydrophobicContact CG1-CG2 3.87Å; D35-T37 VanDerWaalsContact C-N 3.3Å; T37-T111 HydrophobicContact CG2-CG2 3.92Å; T37-W112 CarbonylContact C-O 3.59Å; T37-W112 WeakPolarHBondContact CA-O 3.29Å; T37-K113 HydrophobicContact CG2-CD 4.17Å; T37-K113 HydrophobicContact CG2-CG 3.77Å; T37-K113 WeakPolarHBondContact OG1-CG 3.09Å
38	Y	87	Confident	76.8	Confident	2 Å²	2	56 Å²	56	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.8	178.8	-62.9	-66.5	0	0	0	109.4	V22 L23 V30 G34 D35 T111 W112 F123	V22-Y38 HydrophobicContact CG1-CD1 3.98Å; V22-Y38 HydrophobicContact CG1-CG 4.12Å; L23-Y38 CarbonylContact O-C 3.51Å; L23-Y38 WeakPolarHBondContact O-CA 3.04Å; V30-Y38 HydrophobicContact CB-CE1 4.4Å; V30-Y38 HydrophobicContact CG1-CD1 4.34Å; V30-Y38 HydrophobicContact CG1-CE1 3.73Å; V30-Y38 HydrophobicContact CG2-CD1 3.56Å; V30-Y38 HydrophobicContact CG2-CE1 3.78Å; G34-Y38 PolarHBondContact N-OH 2.78Å; D35-Y38 HydrophobicContact CB-CD1 4.26Å; D35-Y38 HydrophobicContact CB-CE1 3.67Å; D35-Y38 PolarHBondContact N-OH 2.81Å; D35-Y38 WeakPolarHBondContact O-CE2 3.32Å; D35-Y38 PolarHBondContact O-OH 3.12Å; Y38-T111 CarbonylContact O-C 3.52Å; Y38-W112 AromaticContact CD2-CE3 3.7Å; Y38-W112 HydrophobicContact CD2-CE3 3.7Å; Y38-W112 AromaticContact CD2-CZ3 3.83Å; Y38-W112 HydrophobicContact CD2-CZ3 3.83Å; Y38-W112 HydrophobicContact CE2-CE3 4.41Å; Y38-W112 HydrophobicContact CE2-CZ3 4.07Å; Y38-W112 PolarHBondContact N-O 3.29Å; Y38-W112 PolarHBondContact O-N 2.85Å; Y38-F123 AromaticContact CD2-CE2 3.76Å; Y38-F123 HydrophobicContact CD2-CE2 3.76Å; Y38-F123 AromaticContact CD2-CZ 3.61Å; Y38-F123 HydrophobicContact CD2-CZ 3.61Å; Y38-F123 HydrophobicContact CE2-CE2 4.43Å; Y38-F123 HydrophobicContact CE2-CZ 4.49Å; Y38-F123 AromaticContact CG-CE2 3.85Å; Y38-F123 HydrophobicContact CG-CE2 3.85Å; Y38-F123 AromaticContact CG-CZ 3.94Å; Y38-F123 HydrophobicContact CG-CZ 3.94Å
39	T	88.2	Confident	76.5	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.9	171	-59.5	0	0	0	0	109.1	L23 E109	L23-T39 PolarHBondContact N-O 3.19Å; L23-T39 PolarHBondContact O-N 3.01Å; T39-E109 HydrophobicContact CG2-CB 4.47Å
40	I	88.6	Confident	76.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	114	176.5	-67.3	86.5	0	0	0	107.5	F20 V22 I53 F73 E109 A110 W112 F123	F20-I40 HydrophobicContact CD2-CG2 3.93Å; F20-I40 HydrophobicContact CE2-CB 4.47Å; F20-I40 HydrophobicContact CE2-CG1 4.45Å; F20-I40 HydrophobicContact CE2-CG2 3.47Å; F20-I40 VanDerWaalsContact CE2-CG2 3.47Å; V22-I40 HydrophobicContact CG2-CG1 4.33Å; I40-I53 HydrophobicContact CG2-CD1 3.88Å; I40-I53 HydrophobicContact CG2-CG2 4.09Å; I40-F73 HydrophobicContact CD1-CE1 3.92Å; I40-F73 HydrophobicContact CD1-CZ 4.48Å; I40-E109 CarbonylContact O-C 3.59Å; I40-E109 WeakPolarHBondContact O-CA 3.41Å; I40-A110 PolarHBondContact N-O 2.89Å; I40-A110 PolarHBondContact O-N 2.8Å; I40-W112 HydrophobicContact CD1-CB 3.9Å; I40-F123 HydrophobicContact CD1-CD1 3.65Å; I40-F123 HydrophobicContact CD1-CE1 3.49Å; I40-F123 VanDerWaalsContact CD1-CE1 3.49Å; I40-F123 HydrophobicContact CD1-CE2 4.36Å; I40-F123 HydrophobicContact CD1-CG 4.17Å; I40-F123 HydrophobicContact CD1-CZ 3.87Å; I40-F123 HydrophobicContact CG1-CB 4.41Å; I40-F123 HydrophobicContact CG1-CD1 3.84Å; I40-F123 HydrophobicContact CG1-CD2 4.43Å; I40-F123 HydrophobicContact CG1-CE1 4.2Å; I40-F123 HydrophobicContact CG1-CG 3.97Å
41	R	86.7	Confident	76.8	Confident	90 Å²	90	51 Å²	51	34%	0.34	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121	173.7	177.3	-177.2	-67.7	160.9	0.9	109.2	F20 T21 L23 E109	F20-R41 WeakPolarHBondContact CA-O 3.46Å; T21-R41 HydrophobicContact CG2-CB 3.78Å; T21-R41 HydrophobicContact CG2-CG 4.35Å; T21-R41 PolarHBondContact N-O 3.01Å; T21-R41 PolarHBondContact O-N 2.84Å; L23-R41 HydrophobicContact CD1-CB 4.46Å; R41-E109 HydrophobicContact CB-CG 4.34Å; R41-E109 HydrophobicContact CG-CG 4.24Å; R41-E109 IonicContact CZ-OE1 2.75Å; R41-E109 IonicContact NE-OE1 2.71Å; R41-E109 PolarHBondContact NE-OE1 3.13Å; R41-E109 IonicContact NH2-OE1 3.14Å; R41-E109 PolarHBondContact NH2-OE1 3.45Å
42	L	84.7	Confident	77.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.2	172.5	-179.8	64.7	0	0	0	108.2	Y18 F19 F20 F48 F51 V107 I108 V125 V127	Y18-L42 HydrophobicContact CD2-CD1 3.38Å; Y18-L42 HydrophobicContact CE2-CD1 4.02Å; Y18-L42 HydrophobicContact CG-CD1 3.82Å; F19-L42 CarbonylContact O-C 3.55Å; F19-L42 WeakPolarHBondContact O-CA 3.15Å; F20-L42 HydrophobicContact CB-CD1 4.15Å; L42-F48 HydrophobicContact CG-CE2 4.45Å; L42-F51 HydrophobicContact CD2-CB 4.18Å; L42-F51 HydrophobicContact CD2-CG 4.3Å; L42-V107 CarbonylContact O-C 3.57Å; L42-V107 VanDerWaalsContact O-CA 3.31Å; L42-V107 WeakPolarHBondContact O-CA 3.41Å; L42-I108 HydrophobicContact CD2-CD1 4.24Å; L42-I108 PolarHBondContact N-O 3.41Å; L42-I108 PolarHBondContact O-N 3.25Å; L42-V125 HydrophobicContact CD1-CG1 3.97Å; L42-V125 HydrophobicContact CD2-CG1 3.87Å; L42-V127 HydrophobicContact CD1-CG2 4.27Å; L42-V127 HydrophobicContact CD2-CG2 3.96Å
43	S	82.9	Confident	78.3	Confident	33 Å²	33	38.6 Å²	38.6	23%	0.231	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.9	175.9	58	0	0	0	0	111.4	Y18 F19 F106	Y18-S43 CarbonylContact C-O 3.52Å; Y18-S43 WeakPolarHBondContact CA-O 3.33Å; Y18-S43 VanDerWaalsContact CB-O 3.26Å; Y18-S43 WeakPolarHBondContact CB-O 3.24Å; F19-S43 PolarHBondContact N-O 3.04Å; F19-S43 PolarHBondContact O-N 2.77Å; S43-F106 CarbonylContact C-O 3.57Å; S43-F106 WeakPolarHBondContact CA-O 3.12Å
44	G	72.4	Confident	79.2	Confident	18 Å²	18	37.2 Å²	37.2	19%	0.186	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147	-178.3	0	0	0	0	0	113.3	P17 T46 F106	P17-G44 WeakPolarHBondContact O-CA 3.33Å; G44-T46 VanDerWaalsContact C-N 3.32Å; G44-F106 PolarHBondContact N-O 2.82Å
45	T	68.9	Low	80.1	Confident	92 Å²	92	34.5 Å²	34.5	56%	0.564	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	-15.6	159	57.7	0	0	0	0	111.2	P17 F19	P17-T45 PolarHBondContact O-N 3.37Å; P17-T45 PolarHBondContact O-OG1 2.81Å; F19-T45 HydrophobicContact CD2-CG2 4.48Å; F19-T45 HydrophobicContact CE2-CG2 3.73Å
46	T	70.3	Confident	80.8	Confident	38 Å²	38	33 Å²	33	23%	0.233	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165.7	174	73.2	0	0	0	0	110.6	P17 G44 F48 K129	P17-T46 HydrophobicContact CB-CG2 4.41Å; G44-T46 VanDerWaalsContact C-N 3.32Å; T46-F48 WeakPolarHBondContact O-CE1 3.18Å; T46-K129 WeakPolarHBondContact OG1-CD 3.38Å; T46-K129 WeakPolarHBondContact OG1-CE 3.19Å
47	Y	73.1	Confident	81	Confident	68 Å²	68	29.9 Å²	29.9	27%	0.267	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.5	176.1	71.6	-86.7	0	0	0	111.9	M104 E130	Y47-M104 HydrophobicContact CD2-CG 4.01Å; Y47-M104 HydrophobicContact CG-CG 4.05Å; Y47-M104 HydrophobicContact CG-SD 4.27Å; Y47-E130 WeakPolarHBondContact OH-CG 3.46Å; Y47-E130 PolarHBondContact OH-OE1 3.2Å
48	F	72.9	Confident	80.6	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	145	172.5	-40.7	-57.9	0	0	0	110.5	Y18 L42 T46 K105 V127	Y18-F48 VanDerWaalsContact CB-CZ 3.4Å; Y18-F48 HydrophobicContact CD1-CE1 4.27Å; Y18-F48 HydrophobicContact CG-CE1 4.46Å; Y18-F48 HydrophobicContact CG-CZ 4.37Å; L42-F48 HydrophobicContact CG-CE2 4.45Å; T46-F48 WeakPolarHBondContact O-CE1 3.18Å; F48-K105 HydrophobicContact CD2-CB 4.49Å; F48-K105 VanDerWaalsContact CD2-O 3.27Å; F48-K105 WeakPolarHBondContact CD2-O 3.45Å; F48-K105 PolarHBondContact N-O 3.05Å; F48-V127 HydrophobicContact CB-CG1 3.83Å; F48-V127 HydrophobicContact CD1-CG1 3.2Å; F48-V127 HydrophobicContact CD2-CG1 4.39Å; F48-V127 HydrophobicContact CE1-CG1 3.76Å; F48-V127 HydrophobicContact CG-CG1 3.55Å; F48-V127 HydrophobicContact CZ-CG1 4.49Å
49	R	74.8	Confident	79.9	Confident	118 Å²	118	30.5 Å²	30.5	45%	0.445	15%	0.154	S	C	.	.	S	Bend	trans	-85.3	-20.2	171.9	-74.4	-165.2	175.8	-156.6	-1.2	113.3	L128	R49-L128 PolarHBondContact N-O 2.7Å
50	G	79.1	Confident	79	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	161.3	-178	0	0	0	0	0	111.1	H99 L128	G50-H99 CarbonylContact C-O 3.51Å; G50-H99 WeakPolarHBondContact CA-O 3.45Å; G50-L128 PolarHBondContact O-N 3.2Å
51	F	83.5	Confident	77.9	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160	175.8	63.6	-93.6	0	0	0	111.4	L42 I53 I84 T98 H99 I108 T126 V127	L42-F51 HydrophobicContact CD2-CB 4.18Å; L42-F51 HydrophobicContact CD2-CG 4.3Å; F51-I53 HydrophobicContact CD2-CD1 4.21Å; F51-I53 HydrophobicContact CD2-CG1 4Å; F51-I53 HydrophobicContact CE2-CD1 4.22Å; F51-I53 HydrophobicContact CE2-CG1 4.41Å; F51-I84 HydrophobicContact CZ-CD1 4.04Å; F51-I84 HydrophobicContact CZ-CG1 4.11Å; F51-I84 HydrophobicContact CZ-CG2 4.29Å; F51-T98 CarbonylContact O-C 3.5Å; F51-T98 VanDerWaalsContact O-CA 3.31Å; F51-T98 WeakPolarHBondContact O-CA 3.11Å; F51-T98 PolarHBondContact O-OG1 2.89Å; F51-H99 HydrophobicContact CD1-CB 3.62Å; F51-H99 AromaticContact CD1-CD2 3.96Å; F51-H99 HydrophobicContact CD2-CB 4.37Å; F51-H99 HydrophobicContact CE1-CB 3.22Å; F51-H99 AromaticContact CE1-CD2 3.57Å; F51-H99 AromaticContact CE1-CG 3.67Å; F51-H99 HydrophobicContact CE2-CB 4.06Å; F51-H99 HydrophobicContact CG-CB 4.18Å; F51-H99 HydrophobicContact CZ-CB 3.49Å; F51-H99 VanDerWaalsContact CZ-CB 3.49Å; F51-H99 PolarHBondContact N-O 2.84Å; F51-H99 PolarHBondContact O-N 2.93Å; F51-I108 HydrophobicContact CD1-CD1 3.43Å; F51-I108 VanDerWaalsContact CD1-CD1 3.43Å; F51-I108 HydrophobicContact CD1-CG1 4.32Å; F51-I108 HydrophobicContact CE1-CB 4.49Å; F51-I108 HydrophobicContact CE1-CD1 3.12Å; F51-I108 HydrophobicContact CE1-CG1 3.53Å; F51-I108 HydrophobicContact CE1-CG2 4.47Å; F51-I108 HydrophobicContact CE2-CG2 4.21Å; F51-I108 HydrophobicContact CG-CD1 4.27Å; F51-I108 HydrophobicContact CZ-CB 4.28Å; F51-I108 HydrophobicContact CZ-CD1 3.74Å; F51-I108 HydrophobicContact CZ-CG1 3.72Å; F51-I108 HydrophobicContact CZ-CG2 3.8Å; F51-T126 CarbonylContact C-O 3.54Å; F51-T126 WeakPolarHBondContact CA-O 3.5Å; F51-T126 WeakPolarHBondContact CB-O 3.37Å; F51-V127 HydrophobicContact CB-CG2 4.48Å
52	L	84.1	Confident	76.8	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	122.8	171.6	171.3	65.2	0	0	0	107.5	Q54 I97 V125 T126	L52-Q54 HydrophobicContact CD1-CG 3.8Å; L52-Q54 HydrophobicContact CD2-CG 4.03Å; L52-Q54 HydrophobicContact CG-CG 3.68Å; L52-I97 WeakPolarHBondContact CA-O 3.45Å; L52-V125 CarbonylContact O-C 3.58Å; L52-V125 WeakPolarHBondContact O-CA 3.39Å; L52-T126 PolarHBondContact N-O 2.73Å; L52-T126 PolarHBondContact O-N 2.95Å
53	I	85.9	Confident	76	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	171.4	-48.7	171.1	0	0	0	107.2	I40 F51 F73 S96 I97 A110 V124 V125	I40-I53 HydrophobicContact CG2-CD1 3.88Å; I40-I53 HydrophobicContact CG2-CG2 4.09Å; F51-I53 HydrophobicContact CD2-CD1 4.21Å; F51-I53 HydrophobicContact CD2-CG1 4Å; F51-I53 HydrophobicContact CE2-CD1 4.22Å; F51-I53 HydrophobicContact CE2-CG1 4.41Å; I53-F73 HydrophobicContact CB-CZ 4.17Å; I53-F73 HydrophobicContact CG2-CE1 4.19Å; I53-F73 HydrophobicContact CG2-CZ 3.67Å; I53-S96 CarbonylContact O-C 3.54Å; I53-S96 WeakPolarHBondContact O-CA 3.34Å; I53-S96 WeakPolarHBondContact O-CB 3.11Å; I53-I97 HydrophobicContact CB-CG2 3.66Å; I53-I97 HydrophobicContact CD1-CG2 4.08Å; I53-I97 HydrophobicContact CG1-CG2 4.11Å; I53-I97 PolarHBondContact N-O 2.81Å; I53-I97 PolarHBondContact O-N 3.45Å; I53-A110 HydrophobicContact CD1-CB 4.31Å; I53-V124 CarbonylContact C-O 3.55Å; I53-V124 VanDerWaalsContact CA-O 3.32Å; I53-V124 WeakPolarHBondContact CA-O 3.23Å; I53-V125 HydrophobicContact CG1-CG1 4.37Å; I53-V125 HydrophobicContact CG1-CG2 4.16Å; I53-V125 HydrophobicContact CG2-CG2 4.17Å
54	Q	86	Confident	75.4	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.8	-179.8	-50.1	-168	-66.9	0	0	110.7	H8 L52 N95 F123 V124	H8-Q54 PolarHBondContact NE2-OE1 3.36Å; L52-Q54 HydrophobicContact CD1-CG 3.8Å; L52-Q54 HydrophobicContact CD2-CG 4.03Å; L52-Q54 HydrophobicContact CG-CG 3.68Å; Q54-N95 WeakPolarHBondContact CA-O 3.32Å; Q54-F123 CarbonylContact O-C 3.57Å; Q54-F123 WeakPolarHBondContact O-CA 3.26Å; Q54-V124 PolarHBondContact N-O 3.38Å; Q54-V124 PolarHBondContact O-N 3.46Å
55	A	85.5	Confident	75.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.4	165.3	0	0	0	0	0	109.1	L68 N95 W112 V121 Q122 F123	A55-L68 HydrophobicContact CB-CD1 3.37Å; A55-N95 PolarHBondContact N-O 2.94Å; A55-W112 HydrophobicContact CB-CZ2 4.49Å; A55-V121 HydrophobicContact CB-CG1 4.03Å; A55-Q122 CarbonylContact C-O 3.56Å; A55-Q122 WeakPolarHBondContact CA-O 3.44Å; A55-F123 HydrophobicContact CB-CD1 4.03Å; A55-F123 HydrophobicContact CB-CE1 3.83Å
56	R	82.1	Confident	75.4	Confident	36 Å²	36	41.6 Å²	41.6	14%	0.136	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.6	179.8	-66.6	-66.6	-175.8	-108.3	3.4	111.5	V64 L68 V121 Q122	R56-V64 HydrophobicContact CB-CG1 4.01Å; R56-V64 HydrophobicContact CB-CG2 4.13Å; R56-V64 HydrophobicContact CG-CG1 4.42Å; R56-L68 VanDerWaalsContact N-CD1 3.32Å; R56-V121 CarbonylContact O-C 3.59Å; R56-V121 WeakPolarHBondContact O-CA 3.49Å; R56-Q122 PolarHBondContact N-O 2.68Å; R56-Q122 PolarHBondContact O-N 3.19Å
57	L	79	Confident	75.3	Confident	47 Å²	47	46.3 Å²	46.3	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.4	176.8	-177.2	69.2	0	0	0	107.3	V64 I65 G66 L68 V118	L57-V64 CarbonylContact O-C 3.52Å; L57-V64 WeakPolarHBondContact O-CA 3.41Å; L57-I65 HydrophobicContact CB-CG1 4.31Å; L57-I65 HydrophobicContact CD2-CD1 4.01Å; L57-I65 HydrophobicContact CD2-CG1 3.94Å; L57-I65 HydrophobicContact CG-CD1 3.94Å; L57-I65 HydrophobicContact CG-CG1 3.74Å; L57-I65 WeakPolarHBondContact O-CG1 3.23Å; L57-I65 PolarHBondContact O-N 2.96Å; L57-G66 WeakPolarHBondContact CB-O 3.31Å; L57-G66 PolarHBondContact N-O 3.46Å; L57-G66 VanDerWaalsContact N-O 3.1Å; L57-G66 PolarHBondContact O-N 2.84Å; L57-L68 HydrophobicContact CB-CD2 4.02Å; L57-L68 HydrophobicContact CB-CG 4.21Å; L57-L68 HydrophobicContact CD1-CD2 4.04Å; L57-V118 VanDerWaalsContact CD1-O 3.28Å; L57-V118 WeakPolarHBondContact CD1-O 3.37Å
58	A	76.2	Confident	75.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	168.2	-175.9	0	0	0	0	0	112.7	T63 P120 Q122	A58-T63 CarbonylContact C-O 3.57Å; A58-T63 WeakPolarHBondContact CA-O 3.27Å; A58-T63 WeakPolarHBondContact CB-O 3.31Å; A58-P120 HydrophobicContact CB-CB 4.44Å; A58-P120 PolarHBondContact N-O 2.69Å; A58-P120 WeakPolarHBondContact O-CB 3.42Å; A58-Q122 HydrophobicContact CB-CB 3.75Å
59	T	73.1	Confident	74.8	Confident	44 Å²	44	53.5 Å²	53.5	27%	0.27	27%	0.269	S	S	.	.			trans	-73.7	168.2	161.2	65.1	0	0	0	0	110.3	Q61 G62 T63 I65 P120	T59-Q61 PolarHBondContact O-N 2.85Å; T59-Q61 PolarHBondContact OG1-N 2.93Å; T59-G62 PolarHBondContact O-N 3.24Å; T59-T63 PolarHBondContact N-O 3.26Å; T59-T63 WeakPolarHBondContact OG1-CB 3.23Å; T59-T63 PolarHBondContact OG1-N 2.93Å; T59-T63 VanDerWaalsContact OG1-N 3.11Å; T59-I65 HydrophobicContact CG2-CG2 3.49Å; T59-I65 VanDerWaalsContact CG2-CG2 3.49Å; T59-P120 WeakPolarHBondContact O-CB 3.15Å
60	S	70.3	Confident	74.7	Confident	86 Å²	86	48.5 Å²	48.5	60%	0.601	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.6	170.4	53.9	0	0	0	0	113.5
61	Q	64.2	Low	74.7	Confident	131 Å²	131	48.5 Å²	48.5	61%	0.612	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	6.6	175	-57.1	-64.7	-56.4	0	0	112.5	T59 T63	T59-Q61 PolarHBondContact O-N 2.85Å; T59-Q61 PolarHBondContact OG1-N 2.93Å; Q61-T63 PolarHBondContact O-N 2.83Å
62	G	64.6	Low	74.8	Confident	4 Å²	4	52.5 Å²	52.5	4%	0.041	27%	0.271	C	S	.	.			trans	72.9	20.2	179.7	0	0	0	0	0	115.1	Y33 T59 Q122	Y33-G62 VanDerWaalsContact OH-CA 3.29Å; Y33-G62 WeakPolarHBondContact OH-CA 3.2Å; T59-G62 PolarHBondContact O-N 3.24Å; G62-Q122 VanDerWaalsContact O-CD 3.3Å; G62-Q122 PolarHBondContact O-NE2 3.11Å; G62-Q122 PolarHBondContact O-OE1 3.3Å
63	T	66.7	Low	74.9	Confident	68 Å²	68	51.9 Å²	51.9	42%	0.417	27%	0.268	S	S	.	.			trans	-83	123.7	171.7	-55	0	0	0	0	109.5	A58 T59 Q61 I65	A58-T63 CarbonylContact C-O 3.57Å; A58-T63 WeakPolarHBondContact CA-O 3.27Å; A58-T63 WeakPolarHBondContact CB-O 3.31Å; T59-T63 PolarHBondContact N-O 3.26Å; T59-T63 WeakPolarHBondContact OG1-CB 3.23Å; T59-T63 PolarHBondContact OG1-N 2.93Å; T59-T63 VanDerWaalsContact OG1-N 3.11Å; Q61-T63 PolarHBondContact O-N 2.83Å; T63-I65 PolarHBondContact O-N 2.9Å
64	V	70.4	Confident	74.9	Confident	69 Å²	69	53.8 Å²	53.8	42%	0.418	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	125.1	174.8	-177.5	0	0	0	0	110.3	R56 L57	R56-V64 HydrophobicContact CB-CG1 4.01Å; R56-V64 HydrophobicContact CB-CG2 4.13Å; R56-V64 HydrophobicContact CG-CG1 4.42Å; L57-V64 CarbonylContact O-C 3.52Å; L57-V64 WeakPolarHBondContact O-CA 3.41Å
65	I	73.1	Confident	74.5	Confident	106 Å²	106	58.7 Å²	58.7	54%	0.544	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-6.5	177.1	56.5	175.1	0	0	0	113	L57 T59 T63	L57-I65 HydrophobicContact CB-CG1 4.31Å; L57-I65 HydrophobicContact CD2-CD1 4.01Å; L57-I65 HydrophobicContact CD2-CG1 3.94Å; L57-I65 HydrophobicContact CG-CD1 3.94Å; L57-I65 HydrophobicContact CG-CG1 3.74Å; L57-I65 WeakPolarHBondContact O-CG1 3.23Å; L57-I65 PolarHBondContact O-N 2.96Å; T59-I65 HydrophobicContact CG2-CG2 3.49Å; T59-I65 VanDerWaalsContact CG2-CG2 3.49Å; T63-I65 PolarHBondContact O-N 2.9Å
66	G	68.8	Low	74.2	Confident	26 Å²	26	62.8 Å²	62.8	27%	0.268	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-164.7	172.8	0	0	0	0	0	114.7	L57	L57-G66 WeakPolarHBondContact CB-O 3.31Å; L57-G66 PolarHBondContact N-O 3.46Å; L57-G66 VanDerWaalsContact N-O 3.1Å; L57-G66 PolarHBondContact O-N 2.84Å
67	H	67.9	Low	73.7	Confident	137 Å²	137	69 Å²	69	63%	0.634	35%	0.352	S	S	*	.			trans	-76.9	140.7	175	-64.4	-76.2	0	0	0	111.1
68	L	70.9	Confident	73.4	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.047	35%	0.354	C	S	.	.			trans	-71.5	134.3	168.3	-76.2	160.4	0	0	0	109.7	A55 R56 L57 N95 W112 V118 V121	A55-L68 HydrophobicContact CB-CD1 3.37Å; R56-L68 VanDerWaalsContact N-CD1 3.32Å; L57-L68 HydrophobicContact CB-CD2 4.02Å; L57-L68 HydrophobicContact CB-CG 4.21Å; L57-L68 HydrophobicContact CD1-CD2 4.04Å; L68-N95 PolarHBondContact O-ND2 2.81Å; L68-W112 HydrophobicContact CD1-CZ2 4.15Å; L68-V118 HydrophobicContact CD2-CB 4.24Å; L68-V118 HydrophobicContact CD2-CG2 4Å; L68-V121 HydrophobicContact CD1-CG1 3.85Å; L68-V121 HydrophobicContact CD2-CG2 3.99Å
69	R	65.3	Low	73.4	Confident	210 Å²	210	68.9 Å²	68.9	79%	0.792	35%	0.354	S	S	*	.	S	Bend	trans	-94.5	-3.6	174.7	-63.7	-174.6	-179.9	-177.6	-0.4	113.2
70	A	72.7	Confident	73.1	Confident	14 Å²	14	71.8 Å²	71.8	12%	0.116	37%	0.368	C	S	.	.	S	Bend	trans	-151.9	160	-179.3	0	0	0	0	0	111.8	V118	A70-V118 HydrophobicContact CB-CG1 3.5Å; A70-V118 VanDerWaalsContact CB-CG1 3.5Å
71	G	78.7	Confident	72.8	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.373	C	S	.	.			trans	94.8	163.6	-173.1	0	0	0	0	0	114.3	R93 N95 K113	G71-R93 WeakPolarHBondContact O-CB 3.39Å; G71-R93 WeakPolarHBondContact O-CD 3.46Å; G71-N95 PolarHBondContact O-OD1 2.83Å; G71-N95 VanDerWaalsContact O-OD1 3.06Å; G71-K113 CarbonylContact C-O 3.4Å; G71-K113 WeakPolarHBondContact CA-O 3.25Å
72	E	85.1	Confident	73	Confident	90 Å²	90	75.6 Å²	75.6	42%	0.421	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	150.2	-178	64.9	-169.7	167.3	0	0	111.1	N94 W112 K113	E72-N94 HydrophobicContact CB-CB 4.34Å; E72-W112 VanDerWaalsContact C-CD1 3.48Å; E72-W112 CarbonylContact O-C 3.51Å; E72-W112 WeakPolarHBondContact O-CA 3.38Å; E72-K113 PolarHBondContact N-O 2.86Å; E72-K113 PolarHBondContact O-N 3.08Å
73	F	85.7	Confident	73.2	Confident	3 Å²	3	76.4 Å²	76.4	1%	0.013	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.6	162	-75.6	-81.6	0	0	0	109.3	I40 I53 W79 F86 N94 I97 A110 T111 W112	I40-F73 HydrophobicContact CD1-CE1 3.92Å; I40-F73 HydrophobicContact CD1-CZ 4.48Å; I53-F73 HydrophobicContact CB-CZ 4.17Å; I53-F73 HydrophobicContact CG2-CE1 4.19Å; I53-F73 HydrophobicContact CG2-CZ 3.67Å; F73-W79 HydrophobicContact CB-CH2 4.1Å; F73-W79 HydrophobicContact CB-CZ3 4.15Å; F73-F86 HydrophobicContact CB-CD1 3.97Å; F73-F86 HydrophobicContact CB-CE1 3.36Å; F73-F86 HydrophobicContact CB-CZ 4.36Å; F73-F86 WeakPolarHBondContact O-CE1 3.11Å; F73-N94 WeakPolarHBondContact CD2-O 3.45Å; F73-N94 PolarHBondContact N-O 2.85Å; F73-I97 HydrophobicContact CD1-CG2 4.17Å; F73-I97 HydrophobicContact CD2-CB 4.33Å; F73-I97 HydrophobicContact CD2-CG2 4.26Å; F73-I97 HydrophobicContact CE1-CG2 4.07Å; F73-I97 HydrophobicContact CE2-CG2 4.2Å; F73-I97 HydrophobicContact CG-CB 4.35Å; F73-I97 HydrophobicContact CG-CG2 4.26Å; F73-I97 HydrophobicContact CZ-CG2 4.12Å; F73-A110 HydrophobicContact CD1-CB 3.9Å; F73-A110 HydrophobicContact CE1-CB 3.95Å; F73-T111 CarbonylContact C-O 3.5Å; F73-T111 WeakPolarHBondContact CA-O 3.35Å; F73-W112 HydrophobicContact CD1-CB 3.95Å; F73-W112 AromaticContact CD2-CD1 3.89Å; F73-W112 HydrophobicContact CE1-CB 3.96Å; F73-W112 AromaticContact CE2-CD1 3.95Å; F73-W112 HydrophobicContact CG-CB 4.43Å; F73-W112 HydrophobicContact CZ-CB 4.42Å
74	V	85.8	Confident	73.6	Confident	41 Å²	41	73.7 Å²	73.7	25%	0.248	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-91.3	118.5	-176.7	-178	0	0	0	0	109.8	E76 W79 T111 K113	V74-E76 PolarHBondContact O-N 2.89Å; V74-W79 WeakPolarHBondContact O-CH2 3.36Å; V74-W79 WeakPolarHBondContact O-CZ2 3.28Å; V74-W79 VanDerWaalsContact O-CZ3 3.24Å; V74-W79 WeakPolarHBondContact O-CZ3 3.48Å; V74-T111 HydrophobicContact CG2-CG2 4.29Å; V74-T111 PolarHBondContact N-O 3.24Å; V74-K113 HydrophobicContact CG2-CB 4.1Å; V74-K113 HydrophobicContact CG2-CD 3.59Å; V74-K113 HydrophobicContact CG2-CG 3.56Å
75	E	78.1	Confident	73.6	Confident	111 Å²	111	78.9 Å²	78.9	52%	0.519	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-70.1	127.9	178	-169.8	166.3	173.7	0	0	111.1	N80 F86	E75-N80 PolarHBondContact OE1-ND2 2.81Å; E75-F86 HydrophobicContact CB-CE2 3.5Å; E75-F86 VanDerWaalsContact CB-CE2 3.5Å; E75-F86 HydrophobicContact CB-CZ 3.58Å; E75-F86 HydrophobicContact CG-CE2 3.65Å; E75-F86 HydrophobicContact CG-CZ 4.21Å
76	E	78.7	Confident	73.6	Confident	85 Å²	85	75.8 Å²	75.8	40%	0.397	35%	0.352	S	S	.	.			trans	-114	151.5	171.5	-63	176.8	-174.7	0	0	109.6	V74 S78 W79	V74-E76 PolarHBondContact O-N 2.89Å; E76-S78 PolarHBondContact O-N 2.84Å; E76-S78 VanDerWaalsContact O-N 3.09Å; E76-W79 HydrophobicContact CB-CG 4.36Å; E76-W79 VanDerWaalsContact O-CB 3.31Å; E76-W79 WeakPolarHBondContact O-CB 3.47Å; E76-W79 PolarHBondContact O-N 2.9Å
77	E	73.2	Confident	73.4	Confident	166 Å²	166	78.3 Å²	78.3	78%	0.776	36%	0.357	S	S	*	.	H	α-helix	trans	-54.7	-34.4	-179.4	-65.6	-174.6	172.3	0	0	112.5	W79 N80 Y81	E77-W79 PolarHBondContact O-N 2.8Å; E77-N80 PolarHBondContact O-N 2.66Å; E77-Y81 VanDerWaalsContact O-CD2 3.32Å; E77-Y81 WeakPolarHBondContact O-CD2 3.48Å
78	S	72.2	Confident	73	Confident	41 Å²	41	76.8 Å²	76.8	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-28.2	177.6	65.2	0	0	0	0	113	E76 N80 Y81 Y82	E76-S78 PolarHBondContact O-N 2.84Å; E76-S78 VanDerWaalsContact O-N 3.09Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 2.67Å; S78-Y81 WeakPolarHBondContact O-CB 3.04Å; S78-Y81 PolarHBondContact O-N 2.87Å; S78-Y82 WeakPolarHBondContact O-CD2 3.45Å; S78-Y82 PolarHBondContact O-N 2.8Å
79	W	75	Confident	72.1	Confident	5 Å²	5	78.8 Å²	78.8	2%	0.019	37%	0.368	C	S	.	.	H	α-helix	trans	-69.2	-36.5	-177.1	-63.4	12.2	0	0	0	111.1	F73 V74 E76 E77 Y82 G83 I84 F86 I97 A110	F73-W79 HydrophobicContact CB-CH2 4.1Å; F73-W79 HydrophobicContact CB-CZ3 4.15Å; V74-W79 WeakPolarHBondContact O-CH2 3.36Å; V74-W79 WeakPolarHBondContact O-CZ2 3.28Å; V74-W79 VanDerWaalsContact O-CZ3 3.24Å; V74-W79 WeakPolarHBondContact O-CZ3 3.48Å; E76-W79 HydrophobicContact CB-CG 4.36Å; E76-W79 VanDerWaalsContact O-CB 3.31Å; E76-W79 WeakPolarHBondContact O-CB 3.47Å; E76-W79 PolarHBondContact O-N 2.9Å; E77-W79 PolarHBondContact O-N 2.8Å; W79-Y82 CarbonylContact O-C 3.53Å; W79-Y82 PolarHBondContact O-N 2.87Å; W79-G83 PolarHBondContact O-N 2.87Å; W79-I84 HydrophobicContact CB-CB 4.22Å; W79-I84 PolarHBondContact O-N 3.41Å; W79-F86 HydrophobicContact CE3-CE1 4.19Å; W79-F86 AromaticContact CE3-CE2 3.61Å; W79-F86 HydrophobicContact CE3-CE2 3.61Å; W79-F86 AromaticContact CE3-CZ 3.37Å; W79-F86 HydrophobicContact CE3-CZ 3.37Å; W79-F86 HydrophobicContact CH2-CE1 4.43Å; W79-F86 HydrophobicContact CH2-CZ 4.15Å; W79-F86 HydrophobicContact CZ3-CD1 4.49Å; W79-F86 AromaticContact CZ3-CE1 3.48Å; W79-F86 HydrophobicContact CZ3-CE1 3.48Å; W79-F86 VanDerWaalsContact CZ3-CE1 3.48Å; W79-F86 AromaticContact CZ3-CE2 3.78Å; W79-F86 HydrophobicContact CZ3-CE2 3.78Å; W79-F86 AromaticContact CZ3-CZ 3.04Å; W79-F86 HydrophobicContact CZ3-CZ 3.04Å; W79-I97 HydrophobicContact CD2-CD1 4.12Å; W79-I97 HydrophobicContact CE3-CD1 3.49Å; W79-I97 VanDerWaalsContact CE3-CD1 3.49Å; W79-I97 HydrophobicContact CH2-CD1 3.72Å; W79-I97 HydrophobicContact CZ2-CD1 4.37Å; W79-I97 HydrophobicContact CZ3-CD1 3.2Å; W79-I97 HydrophobicContact CZ3-CG1 4.3Å; W79-A110 HydrophobicContact CH2-CB 4.13Å; W79-A110 HydrophobicContact CZ2-CB 4.13Å
80	N	67.5	Low	71.4	Confident	105 Å²	105	75 Å²	75	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-63.9	-42.6	173.4	-75.7	-48.3	0	0	0	111.3	E75 E77 S78 Y82 G83	E75-N80 PolarHBondContact OE1-ND2 2.81Å; E77-N80 PolarHBondContact O-N 2.66Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 2.67Å; N80-Y82 VanDerWaalsContact C-N 3.28Å; N80-Y82 PolarHBondContact O-N 3.05Å; N80-G83 PolarHBondContact O-N 2.81Å
81	Y	64.4	Low	70.2	Confident	178 Å²	178	80.1 Å²	80.1	70%	0.698	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-37	173.1	-75.4	-79.4	0	0	0	112.5	E77 S78 R103	E77-Y81 VanDerWaalsContact O-CD2 3.32Å; E77-Y81 WeakPolarHBondContact O-CD2 3.48Å; S78-Y81 WeakPolarHBondContact O-CB 3.04Å; S78-Y81 PolarHBondContact O-N 2.87Å; Y81-R103 PolarHBondContact O-NH1 3.34Å
82	Y	68.1	Low	68.8	Low	119 Å²	119	86.1 Å²	86.1	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-84.4	-4.4	-178.2	-65.6	-45	0	0	0	114.9	S78 W79 N80 I84 H99 R103 K105	S78-Y82 WeakPolarHBondContact O-CD2 3.45Å; S78-Y82 PolarHBondContact O-N 2.8Å; W79-Y82 CarbonylContact O-C 3.53Å; W79-Y82 PolarHBondContact O-N 2.87Å; N80-Y82 VanDerWaalsContact C-N 3.28Å; N80-Y82 PolarHBondContact O-N 3.05Å; Y82-I84 VanDerWaalsContact C-N 3.32Å; Y82-I84 HydrophobicContact CD2-CD1 4.46Å; Y82-H99 PolarHBondContact O-CE1 3.44Å; Y82-R103 PolarHBondContact O-NH2 2.83Å; Y82-K105 PolarHBondContact O-NZ 3.1Å
83	G	69.7	Low	67.5	Low	22 Å²	22	86 Å²	86	23%	0.227	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	29.3	-178.5	0	0	0	0	0	113.2	W79 N80 H99	W79-G83 PolarHBondContact O-N 2.87Å; N80-G83 PolarHBondContact O-N 2.81Å; G83-H99 PolarHBondContact O-ND1 2.92Å
84	I	74.1	Confident	66.9	Low	10 Å²	10	87.9 Å²	87.9	5%	0.051	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.7	178.9	-57.4	171.5	0	0	0	108.3	F51 W79 Y82 I97 H99 I108	F51-I84 HydrophobicContact CZ-CD1 4.04Å; F51-I84 HydrophobicContact CZ-CG1 4.11Å; F51-I84 HydrophobicContact CZ-CG2 4.29Å; W79-I84 HydrophobicContact CB-CB 4.22Å; W79-I84 PolarHBondContact O-N 3.41Å; Y82-I84 VanDerWaalsContact C-N 3.32Å; Y82-I84 HydrophobicContact CD2-CD1 4.46Å; I84-I97 HydrophobicContact CG2-CD1 3.24Å; I84-I97 HydrophobicContact CG2-CG1 3.22Å; I84-H99 HydrophobicContact CG1-CB 4.37Å; I84-I108 HydrophobicContact CD1-CG2 4.39Å
85	R	70.9	Confident	66.5	Low	179 Å²	179	86.5 Å²	86.5	68%	0.675	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.5	-176.5	-64	-174.5	-179.9	-171.6	0.6	111.2	T98	R85-T98 HydrophobicContact CB-CG2 4.41Å; R85-T98 PolarHBondContact N-O 2.8Å; R85-T98 WeakPolarHBondContact O-CG2 3.43Å; R85-T98 PolarHBondContact O-N 3.04Å; R85-T98 VanDerWaalsContact O-O 3.05Å
86	F	73.2	Confident	66.7	Low	41 Å²	41	81.3 Å²	81.3	18%	0.18	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.2	169.1	-67.3	-91.7	0	0	0	110.7	F73 E75 W79 N94	F73-F86 HydrophobicContact CB-CD1 3.97Å; F73-F86 HydrophobicContact CB-CE1 3.36Å; F73-F86 HydrophobicContact CB-CZ 4.36Å; F73-F86 WeakPolarHBondContact O-CE1 3.11Å; E75-F86 HydrophobicContact CB-CE2 3.5Å; E75-F86 VanDerWaalsContact CB-CE2 3.5Å; E75-F86 HydrophobicContact CB-CZ 3.58Å; E75-F86 HydrophobicContact CG-CE2 3.65Å; E75-F86 HydrophobicContact CG-CZ 4.21Å; W79-F86 HydrophobicContact CE3-CE1 4.19Å; W79-F86 AromaticContact CE3-CE2 3.61Å; W79-F86 HydrophobicContact CE3-CE2 3.61Å; W79-F86 AromaticContact CE3-CZ 3.37Å; W79-F86 HydrophobicContact CE3-CZ 3.37Å; W79-F86 HydrophobicContact CH2-CE1 4.43Å; W79-F86 HydrophobicContact CH2-CZ 4.15Å; W79-F86 HydrophobicContact CZ3-CD1 4.49Å; W79-F86 AromaticContact CZ3-CE1 3.48Å; W79-F86 HydrophobicContact CZ3-CE1 3.48Å; W79-F86 VanDerWaalsContact CZ3-CE1 3.48Å; W79-F86 AromaticContact CZ3-CE2 3.78Å; W79-F86 HydrophobicContact CZ3-CE2 3.78Å; W79-F86 AromaticContact CZ3-CZ 3.04Å; W79-F86 HydrophobicContact CZ3-CZ 3.04Å; F86-N94 HydrophobicContact CB-CB 4.38Å; F86-N94 HydrophobicContact CD1-CB 3.72Å; F86-N94 HydrophobicContact CE1-CB 4.34Å; F86-N94 HydrophobicContact CG-CB 4.36Å
87	Q	64.8	Low	66.8	Low	79 Å²	79	77.2 Å²	77.2	37%	0.369	38%	0.38	S	S	.	.			trans	-97.7	118.3	172.6	-170.5	175.9	19.8	0	0	108.9	C89 S96 T98	Q87-C89 PolarHBondContact O-N 3.34Å; Q87-S96 PolarHBondContact N-O 2.86Å; Q87-S96 PolarHBondContact O-OG 2.8Å; Q87-T98 HydrophobicContact CB-CG2 4.2Å
88	N	58.5	Low	67.2	Low	105 Å²	105	70.8 Å²	70.8	56%	0.561	35%	0.351	S	S	*	.			trans	-92.7	95.8	179.2	-154.2	-13.6	0	0	0	109	V90	N88-V90 PolarHBondContact O-N 2.82Å
89	C	53.6	Low	67.4	Low	51 Å²	51	69 Å²	69	35%	0.345	34%	0.338	S	S	.	.			trans	-76.7	102.5	173.6	-65.6	0	0	0	0	108.6	Q87 T91	Q87-C89 PolarHBondContact O-N 3.34Å; C89-T91 PolarHBondContact O-N 2.97Å
90	V	49.6	Very low	67.1	Low	129 Å²	129	73.9 Å²	73.9	78%	0.782	37%	0.369	S	S	*	.	S	Bend	trans	-2.2	110.9	175.7	-170.5	0	0	0	0	115.5	N88	N88-V90 PolarHBondContact O-N 2.82Å
91	T	47.6	Very low	67.1	Low	123 Å²	123	71.3 Å²	71.3	76%	0.755	36%	0.355	S	S	*	.	S	Bend	trans	69.5	98.5	175	60.7	0	0	0	0	116.1	C89	C89-T91 PolarHBondContact O-N 2.97Å
92	Q	48.4	Very low	67.1	Low	125 Å²	125	68.7 Å²	68.7	58%	0.584	35%	0.353	S	S	*	.	S	Bend	trans	93.3	99	168.8	-53.4	-170.1	-14.9	0	0	117.1
93	R	59.5	Low	67.1	Low	87 Å²	87	68.2 Å²	68.2	33%	0.328	35%	0.351	S	S	.	.			trans	65.6	149.4	161.5	-52.2	-165.7	-176	-160.3	-1.8	118.6	G71 N95 E115	G71-R93 WeakPolarHBondContact O-CB 3.39Å; G71-R93 WeakPolarHBondContact O-CD 3.46Å; R93-N95 VanDerWaalsContact C-N 3.25Å; R93-N95 PolarHBondContact O-N 3.21Å; R93-E115 IonicContact CZ-OE2 2.62Å; R93-E115 IonicContact NH1-OE2 3.73Å; R93-E115 PolarHBondContact NH1-OE2 2.72Å; R93-E115 IonicContact NH2-OE2 3.83Å; R93-E115 PolarHBondContact NH2-OE2 3.45Å
94	N	71.3	Confident	67	Low	44 Å²	44	73.3 Å²	73.3	24%	0.235	37%	0.37	C	S	.	.			trans	-73.4	68.1	-175.7	-74.2	-11.8	0	0	0	112.1	E72 F73 F86 S96	E72-N94 HydrophobicContact CB-CB 4.34Å; F73-N94 WeakPolarHBondContact CD2-O 3.45Å; F73-N94 PolarHBondContact N-O 2.85Å; F86-N94 HydrophobicContact CB-CB 4.38Å; F86-N94 HydrophobicContact CD1-CB 3.72Å; F86-N94 HydrophobicContact CE1-CB 4.34Å; F86-N94 HydrophobicContact CG-CB 4.36Å; N94-S96 PolarHBondContact O-N 3.46Å
95	N	77.8	Confident	66.9	Low	12 Å²	12	73.8 Å²	73.8	6%	0.064	37%	0.371	C	S	.	.			trans	-84	9.7	-178.7	-74.8	-45.2	0	0	0	114.3	Q54 A55 L68 G71 R93 W112	Q54-N95 WeakPolarHBondContact CA-O 3.32Å; A55-N95 PolarHBondContact N-O 2.94Å; L68-N95 PolarHBondContact O-ND2 2.81Å; G71-N95 PolarHBondContact O-OD1 2.83Å; G71-N95 VanDerWaalsContact O-OD1 3.06Å; R93-N95 VanDerWaalsContact C-N 3.25Å; R93-N95 PolarHBondContact O-N 3.21Å; N95-W112 PolarHBondContact OD1-NE1 3.33Å
96	S	82.6	Confident	67	Low	1 Å²	1	70.4 Å²	70.4	1%	0.007	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.2	175.1	42.3	0	0	0	0	112.1	I53 Q87 N94	I53-S96 CarbonylContact O-C 3.54Å; I53-S96 WeakPolarHBondContact O-CA 3.34Å; I53-S96 WeakPolarHBondContact O-CB 3.11Å; Q87-S96 PolarHBondContact N-O 2.86Å; Q87-S96 PolarHBondContact O-OG 2.8Å; N94-S96 PolarHBondContact O-N 3.46Å
97	I	81.3	Confident	67.4	Low	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.7	176.3	-172.7	177.4	0	0	0	108	L52 I53 F73 W79 I84 A110	L52-I97 WeakPolarHBondContact CA-O 3.45Å; I53-I97 HydrophobicContact CB-CG2 3.66Å; I53-I97 HydrophobicContact CD1-CG2 4.08Å; I53-I97 HydrophobicContact CG1-CG2 4.11Å; I53-I97 PolarHBondContact N-O 2.81Å; I53-I97 PolarHBondContact O-N 3.45Å; F73-I97 HydrophobicContact CD1-CG2 4.17Å; F73-I97 HydrophobicContact CD2-CB 4.33Å; F73-I97 HydrophobicContact CD2-CG2 4.26Å; F73-I97 HydrophobicContact CE1-CG2 4.07Å; F73-I97 HydrophobicContact CE2-CG2 4.2Å; F73-I97 HydrophobicContact CG-CB 4.35Å; F73-I97 HydrophobicContact CG-CG2 4.26Å; F73-I97 HydrophobicContact CZ-CG2 4.12Å; W79-I97 HydrophobicContact CD2-CD1 4.12Å; W79-I97 HydrophobicContact CE3-CD1 3.49Å; W79-I97 VanDerWaalsContact CE3-CD1 3.49Å; W79-I97 HydrophobicContact CH2-CD1 3.72Å; W79-I97 HydrophobicContact CZ2-CD1 4.37Å; W79-I97 HydrophobicContact CZ3-CD1 3.2Å; W79-I97 HydrophobicContact CZ3-CG1 4.3Å; I84-I97 HydrophobicContact CG2-CD1 3.24Å; I84-I97 HydrophobicContact CG2-CG1 3.22Å; I97-A110 HydrophobicContact CD1-CB 4.33Å; I97-A110 HydrophobicContact CG2-CB 4.5Å
98	T	82.3	Confident	68.2	Low	30 Å²	30	69.5 Å²	69.5	18%	0.184	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.2	-178	-171.2	0	0	0	0	111	F51 R85 Q87	F51-T98 CarbonylContact O-C 3.5Å; F51-T98 VanDerWaalsContact O-CA 3.31Å; F51-T98 WeakPolarHBondContact O-CA 3.11Å; F51-T98 PolarHBondContact O-OG1 2.89Å; R85-T98 HydrophobicContact CB-CG2 4.41Å; R85-T98 PolarHBondContact N-O 2.8Å; R85-T98 WeakPolarHBondContact O-CG2 3.43Å; R85-T98 PolarHBondContact O-N 3.04Å; R85-T98 VanDerWaalsContact O-O 3.05Å; Q87-T98 HydrophobicContact CB-CG2 4.2Å
99	H	76.4	Confident	69.4	Low	3 Å²	3	68.6 Å²	68.6	1%	0.014	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.6	171.2	-177.3	52.4	0	0	0	108.2	G50 F51 Y82 G83 I84 K105	G50-H99 CarbonylContact C-O 3.51Å; G50-H99 WeakPolarHBondContact CA-O 3.45Å; F51-H99 HydrophobicContact CD1-CB 3.62Å; F51-H99 AromaticContact CD1-CD2 3.96Å; F51-H99 HydrophobicContact CD2-CB 4.37Å; F51-H99 HydrophobicContact CE1-CB 3.22Å; F51-H99 AromaticContact CE1-CD2 3.57Å; F51-H99 AromaticContact CE1-CG 3.67Å; F51-H99 HydrophobicContact CE2-CB 4.06Å; F51-H99 HydrophobicContact CG-CB 4.18Å; F51-H99 HydrophobicContact CZ-CB 3.49Å; F51-H99 VanDerWaalsContact CZ-CB 3.49Å; F51-H99 PolarHBondContact N-O 2.84Å; F51-H99 PolarHBondContact O-N 2.93Å; Y82-H99 PolarHBondContact O-CE1 3.44Å; G83-H99 PolarHBondContact O-ND1 2.92Å; I84-H99 HydrophobicContact CG1-CB 4.37Å; H99-K105 WeakPolarHBondContact NE2-CE 3.21Å
100	V	67.7	Low	71	Confident	108 Å²	108	66.1 Å²	66.1	66%	0.655	34%	0.34	S	S	*	.			trans	-129.9	15.3	-172	-64.8	0	0	0	0	112.1
101	D	66.9	Low	72.9	Confident	51 Å²	51	60.8 Å²	60.8	27%	0.273	31%	0.308	S	S	.	.			trans	-98.6	138	-178	168	-18.3	0	0	0	108.9	R103	D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 WeakPolarHBondContact OD1-CB 3.27Å; D101-R103 VanDerWaalsContact OD1-CG 3.23Å; D101-R103 WeakPolarHBondContact OD1-CG 3.49Å; D101-R103 PolarHBondContact OD1-N 3.32Å; D101-R103 IonicContact OD1-NE 3.64Å; D101-R103 PolarHBondContact OD1-NE 3.42Å; D101-R103 IonicContact OD2-CZ 3.67Å; D101-R103 IonicContact OD2-NE 3.29Å; D101-R103 PolarHBondContact OD2-NE 2.7Å; D101-R103 IonicContact OD2-NH2 3.02Å; D101-R103 PolarHBondContact OD2-NH2 3.29Å
102	D	65.7	Low	74.8	Confident	123 Å²	123	55 Å²	55	66%	0.658	27%	0.272	S	S	*	.			trans	-68.7	-0.2	-175	-65.8	-40.5	0	0	0	114.1	M104	D102-M104 PolarHBondContact O-N 2.88Å
103	R	67.6	Low	76.7	Confident	110 Å²	110	53.3 Å²	53.3	42%	0.415	26%	0.263	S	S	.	.	S	Bend	trans	-65	127.2	174.5	-77.6	-177.4	-67.7	168.5	-1.7	111.9	Y81 Y82 D101 K105	Y81-R103 PolarHBondContact O-NH1 3.34Å; Y82-R103 PolarHBondContact O-NH2 2.83Å; D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 WeakPolarHBondContact OD1-CB 3.27Å; D101-R103 VanDerWaalsContact OD1-CG 3.23Å; D101-R103 WeakPolarHBondContact OD1-CG 3.49Å; D101-R103 PolarHBondContact OD1-N 3.32Å; D101-R103 IonicContact OD1-NE 3.64Å; D101-R103 PolarHBondContact OD1-NE 3.42Å; D101-R103 IonicContact OD2-CZ 3.67Å; D101-R103 IonicContact OD2-NE 3.29Å; D101-R103 PolarHBondContact OD2-NE 2.7Å; D101-R103 IonicContact OD2-NH2 3.02Å; D101-R103 PolarHBondContact OD2-NH2 3.29Å; R103-K105 PolarHBondContact O-N 3.05Å
104	M	67.9	Low	77.9	Confident	128 Å²	128	49.6 Å²	49.6	63%	0.631	25%	0.25	S	C	*	.			trans	-59.5	126.4	178.9	-60.5	-178.8	-167.8	0	0	112.1	Y47 D102	Y47-M104 HydrophobicContact CD2-CG 4.01Å; Y47-M104 HydrophobicContact CG-CG 4.05Å; Y47-M104 HydrophobicContact CG-SD 4.27Å; D102-M104 PolarHBondContact O-N 2.88Å
105	K	71.2	Confident	78.2	Confident	20 Å²	20	52.9 Å²	52.9	9%	0.087	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.6	171	-56	-61.1	-178.7	-175.6	0	110.7	F48 Y82 H99 R103 I108	F48-K105 HydrophobicContact CD2-CB 4.49Å; F48-K105 VanDerWaalsContact CD2-O 3.27Å; F48-K105 WeakPolarHBondContact CD2-O 3.45Å; F48-K105 PolarHBondContact N-O 3.05Å; Y82-K105 PolarHBondContact O-NZ 3.1Å; H99-K105 WeakPolarHBondContact NE2-CE 3.21Å; R103-K105 PolarHBondContact O-N 3.05Å; K105-I108 HydrophobicContact CB-CD1 3.9Å; K105-I108 HydrophobicContact CB-CG1 4.48Å; K105-I108 HydrophobicContact CG-CD1 4.33Å
106	F	74.3	Confident	78.2	Confident	109 Å²	109	59.6 Å²	59.6	48%	0.478	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-24.6	171.3	-69	-85.9	0	0	0	112.7	S43 G44	S43-F106 CarbonylContact C-O 3.57Å; S43-F106 WeakPolarHBondContact CA-O 3.12Å; G44-F106 PolarHBondContact N-O 2.82Å
107	V	80.6	Confident	77.7	Confident	90 Å²	90	64.6 Å²	64.6	55%	0.545	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.1	178.8	-175.4	0	0	0	0	108.8	L42	L42-V107 CarbonylContact O-C 3.57Å; L42-V107 VanDerWaalsContact O-CA 3.31Å; L42-V107 WeakPolarHBondContact O-CA 3.41Å
108	I	80.9	Confident	77.4	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	168.7	-63.1	115.8	0	0	0	108.1	L42 F51 I84 K105	L42-I108 HydrophobicContact CD2-CD1 4.24Å; L42-I108 PolarHBondContact N-O 3.41Å; L42-I108 PolarHBondContact O-N 3.25Å; F51-I108 HydrophobicContact CD1-CD1 3.43Å; F51-I108 VanDerWaalsContact CD1-CD1 3.43Å; F51-I108 HydrophobicContact CD1-CG1 4.32Å; F51-I108 HydrophobicContact CE1-CB 4.49Å; F51-I108 HydrophobicContact CE1-CD1 3.12Å; F51-I108 HydrophobicContact CE1-CG1 3.53Å; F51-I108 HydrophobicContact CE1-CG2 4.47Å; F51-I108 HydrophobicContact CE2-CG2 4.21Å; F51-I108 HydrophobicContact CG-CD1 4.27Å; F51-I108 HydrophobicContact CZ-CB 4.28Å; F51-I108 HydrophobicContact CZ-CD1 3.74Å; F51-I108 HydrophobicContact CZ-CG1 3.72Å; F51-I108 HydrophobicContact CZ-CG2 3.8Å; I84-I108 HydrophobicContact CD1-CG2 4.39Å; K105-I108 HydrophobicContact CB-CD1 3.9Å; K105-I108 HydrophobicContact CB-CG1 4.48Å; K105-I108 HydrophobicContact CG-CD1 4.33Å
109	E	85.2	Confident	77.1	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.4	166.4	-63.9	-168.4	160.5	0	0	108.9	T39 I40 R41	T39-E109 HydrophobicContact CG2-CB 4.47Å; I40-E109 CarbonylContact O-C 3.59Å; I40-E109 WeakPolarHBondContact O-CA 3.41Å; R41-E109 HydrophobicContact CB-CG 4.34Å; R41-E109 HydrophobicContact CG-CG 4.24Å; R41-E109 IonicContact CZ-OE1 2.75Å; R41-E109 IonicContact NE-OE1 2.71Å; R41-E109 PolarHBondContact NE-OE1 3.13Å; R41-E109 IonicContact NH2-OE1 3.14Å; R41-E109 PolarHBondContact NH2-OE1 3.45Å
110	A	87.1	Confident	77.3	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120	178.4	0	0	0	0	0	109.6	I40 I53 F73 W79 I97	I40-A110 PolarHBondContact N-O 2.89Å; I40-A110 PolarHBondContact O-N 2.8Å; I53-A110 HydrophobicContact CD1-CB 4.31Å; F73-A110 HydrophobicContact CD1-CB 3.9Å; F73-A110 HydrophobicContact CE1-CB 3.95Å; W79-A110 HydrophobicContact CH2-CB 4.13Å; W79-A110 HydrophobicContact CZ2-CB 4.13Å; I97-A110 HydrophobicContact CD1-CB 4.33Å; I97-A110 HydrophobicContact CG2-CB 4.5Å
111	T	88.4	Confident	77.9	Confident	17 Å²	17	63.1 Å²	63.1	10%	0.104	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.8	178.8	-54.9	0	0	0	0	109.4	T37 Y38 F73 V74 K113	T37-T111 HydrophobicContact CG2-CG2 3.92Å; Y38-T111 CarbonylContact O-C 3.52Å; F73-T111 CarbonylContact C-O 3.5Å; F73-T111 WeakPolarHBondContact CA-O 3.35Å; V74-T111 HydrophobicContact CG2-CG2 4.29Å; V74-T111 PolarHBondContact N-O 3.24Å; T111-K113 HydrophobicContact CG2-CD 4.46Å; T111-K113 HydrophobicContact CG2-CG 4.04Å
112	W	88.8	Confident	78.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.7	171.2	-177.2	94.1	0	0	0	109.8	T37 Y38 I40 A55 L68 E72 F73 N95 T114 V118 V121 F123	T37-W112 CarbonylContact C-O 3.59Å; T37-W112 WeakPolarHBondContact CA-O 3.29Å; Y38-W112 AromaticContact CD2-CE3 3.7Å; Y38-W112 HydrophobicContact CD2-CE3 3.7Å; Y38-W112 AromaticContact CD2-CZ3 3.83Å; Y38-W112 HydrophobicContact CD2-CZ3 3.83Å; Y38-W112 HydrophobicContact CE2-CE3 4.41Å; Y38-W112 HydrophobicContact CE2-CZ3 4.07Å; Y38-W112 PolarHBondContact N-O 3.29Å; Y38-W112 PolarHBondContact O-N 2.85Å; I40-W112 HydrophobicContact CD1-CB 3.9Å; A55-W112 HydrophobicContact CB-CZ2 4.49Å; L68-W112 HydrophobicContact CD1-CZ2 4.15Å; E72-W112 VanDerWaalsContact C-CD1 3.48Å; E72-W112 CarbonylContact O-C 3.51Å; E72-W112 WeakPolarHBondContact O-CA 3.38Å; F73-W112 HydrophobicContact CD1-CB 3.95Å; F73-W112 AromaticContact CD2-CD1 3.89Å; F73-W112 HydrophobicContact CE1-CB 3.96Å; F73-W112 AromaticContact CE2-CD1 3.95Å; F73-W112 HydrophobicContact CG-CB 4.43Å; F73-W112 HydrophobicContact CZ-CB 4.42Å; N95-W112 PolarHBondContact OD1-NE1 3.33Å; W112-T114 HydrophobicContact CH2-CG2 3.67Å; W112-T114 HydrophobicContact CZ3-CG2 3.63Å; W112-V118 HydrophobicContact CH2-CG2 3.93Å; W112-V121 HydrophobicContact CH2-CG1 4.26Å; W112-V121 HydrophobicContact CH2-CG2 3.78Å; W112-V121 HydrophobicContact CZ2-CG1 4.35Å; W112-V121 HydrophobicContact CZ2-CG2 4.45Å; W112-V121 HydrophobicContact CZ3-CG2 4.24Å; W112-F123 HydrophobicContact CB-CE1 3.87Å; W112-F123 HydrophobicContact CB-CZ 4.23Å; W112-F123 HydrophobicContact CD2-CE1 4.04Å; W112-F123 HydrophobicContact CD2-CZ 4.09Å; W112-F123 HydrophobicContact CE3-CE1 4.42Å; W112-F123 AromaticContact CE3-CZ 4Å; W112-F123 HydrophobicContact CE3-CZ 4Å; W112-F123 AromaticContact CG-CE1 3.82Å; W112-F123 HydrophobicContact CG-CE1 3.82Å; W112-F123 HydrophobicContact CG-CZ 4.23Å
113	K	88	Confident	79.6	Confident	90 Å²	90	55 Å²	55	39%	0.391	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.7	-177.8	-62.7	-168.8	-178.5	169.9	0	111.5	K36 T37 G71 E72 V74 T111	K36-K113 CarbonylContact O-C 3.28Å; K36-K113 VanDerWaalsContact O-CA 3.32Å; K36-K113 WeakPolarHBondContact O-CA 3.15Å; T37-K113 HydrophobicContact CG2-CD 4.17Å; T37-K113 HydrophobicContact CG2-CG 3.77Å; T37-K113 WeakPolarHBondContact OG1-CG 3.09Å; G71-K113 CarbonylContact C-O 3.4Å; G71-K113 WeakPolarHBondContact CA-O 3.25Å; E72-K113 PolarHBondContact N-O 2.86Å; E72-K113 PolarHBondContact O-N 3.08Å; V74-K113 HydrophobicContact CG2-CB 4.1Å; V74-K113 HydrophobicContact CG2-CD 3.59Å; V74-K113 HydrophobicContact CG2-CG 3.56Å; T111-K113 HydrophobicContact CG2-CD 4.46Å; T111-K113 HydrophobicContact CG2-CG 4.04Å
114	T	83.5	Confident	80.3	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.055	26%	0.264	C	S	.	.			trans	-139.3	141.9	170.6	-179.2	0	0	0	0	110.7	K36 W112 Y116 V118	K36-T114 WeakPolarHBondContact CB-O 3.25Å; K36-T114 PolarHBondContact O-N 2.79Å; W112-T114 HydrophobicContact CH2-CG2 3.67Å; W112-T114 HydrophobicContact CZ3-CG2 3.63Å; T114-Y116 WeakPolarHBondContact CG2-O 3.48Å; T114-Y116 PolarHBondContact OG1-N 2.93Å; T114-Y116 PolarHBondContact OG1-O 2.85Å; T114-V118 HydrophobicContact CG2-CG2 4.47Å
115	E	78.7	Confident	81	Confident	114 Å²	114	44.1 Å²	44.1	53%	0.533	23%	0.234	S	C	.	.	S	Bend	trans	-75.7	-33.1	177.8	-64.6	167.7	131.7	0	0	111.8	K36 R93	K36-E115 PolarHBondContact NZ-O 2.87Å; R93-E115 IonicContact CZ-OE2 2.62Å; R93-E115 IonicContact NH1-OE2 3.73Å; R93-E115 PolarHBondContact NH1-OE2 2.72Å; R93-E115 IonicContact NH2-OE2 3.83Å; R93-E115 PolarHBondContact NH2-OE2 3.45Å
116	Y	76.4	Confident	81.5	Confident	152 Å²	152	44 Å²	44	60%	0.596	24%	0.235	S	C	*	.	S	Bend	trans	-117	152.4	-175.5	-50.7	-76.1	0	0	0	111	T114 V118	T114-Y116 WeakPolarHBondContact CG2-O 3.48Å; T114-Y116 PolarHBondContact OG1-N 2.93Å; T114-Y116 PolarHBondContact OG1-O 2.85Å; Y116-V118 PolarHBondContact O-N 3.2Å
117	S	73	Confident	81.8	Confident	107 Å²	107	38.8 Å²	38.8	75%	0.748	21%	0.212	S	C	*	.			trans	-66.4	119.2	170.9	-58.4	0	0	0	0	109.8
118	V	74.9	Confident	81.6	Confident	33 Å²	33	38 Å²	38	20%	0.2	21%	0.205	C	C	.	.			trans	-103.2	5	-177.3	-64.4	0	0	0	0	113.6	L57 L68 A70 W112 T114 Y116 V121	L57-V118 VanDerWaalsContact CD1-O 3.28Å; L57-V118 WeakPolarHBondContact CD1-O 3.37Å; L68-V118 HydrophobicContact CD2-CB 4.24Å; L68-V118 HydrophobicContact CD2-CG2 4Å; A70-V118 HydrophobicContact CB-CG1 3.5Å; A70-V118 VanDerWaalsContact CB-CG1 3.5Å; W112-V118 HydrophobicContact CH2-CG2 3.93Å; T114-V118 HydrophobicContact CG2-CG2 4.47Å; Y116-V118 PolarHBondContact O-N 3.2Å; V118-V121 HydrophobicContact CG2-CG2 3.31Å
119	G	76	Confident	81.3	Confident	42 Å²	42	39.8 Å²	39.8	43%	0.433	21%	0.212	S	C	.	.	S	Bend	trans	77.2	-162.9	-168.7	0	0	0	0	0	112.3	V121	G119-V121 PolarHBondContact O-N 2.97Å
120	P	79.6	Confident	80.8	Confident	33 Å²	33	40.7 Å²	40.7	21%	0.214	22%	0.216	C	C	.	.			trans	-60.6	126.3	179.5	-26.2	36.9	0	0	0	113.8	Y33 A58 T59	Y33-P120 HydrophobicContact CD1-CB 4.06Å; Y33-P120 HydrophobicContact CD2-CB 3.46Å; Y33-P120 VanDerWaalsContact CD2-CB 3.46Å; Y33-P120 HydrophobicContact CD2-CG 4.03Å; Y33-P120 HydrophobicContact CE1-CB 4.32Å; Y33-P120 HydrophobicContact CE2-CB 3.73Å; Y33-P120 HydrophobicContact CG-CB 3.61Å; Y33-P120 HydrophobicContact CG-CG 4.32Å; A58-P120 HydrophobicContact CB-CB 4.44Å; A58-P120 PolarHBondContact N-O 2.69Å; A58-P120 WeakPolarHBondContact O-CB 3.42Å; T59-P120 WeakPolarHBondContact O-CB 3.15Å
121	V	81.4	Confident	80	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	109	-179.2	178.7	0	0	0	0	110	Y33 A55 R56 L68 W112 V118 G119 F123	Y33-V121 VanDerWaalsContact CD1-N 3.27Å; Y33-V121 WeakPolarHBondContact CD1-O 3.03Å; Y33-V121 WeakPolarHBondContact CE1-O 3.45Å; A55-V121 HydrophobicContact CB-CG1 4.03Å; R56-V121 CarbonylContact O-C 3.59Å; R56-V121 WeakPolarHBondContact O-CA 3.49Å; L68-V121 HydrophobicContact CD1-CG1 3.85Å; L68-V121 HydrophobicContact CD2-CG2 3.99Å; W112-V121 HydrophobicContact CH2-CG1 4.26Å; W112-V121 HydrophobicContact CH2-CG2 3.78Å; W112-V121 HydrophobicContact CZ2-CG1 4.35Å; W112-V121 HydrophobicContact CZ2-CG2 4.45Å; W112-V121 HydrophobicContact CZ3-CG2 4.24Å; V118-V121 HydrophobicContact CG2-CG2 3.31Å; G119-V121 PolarHBondContact O-N 2.97Å; V121-F123 HydrophobicContact CG1-CE1 3.98Å; V121-F123 HydrophobicContact CG1-CE2 3.97Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å
122	Q	81.9	Confident	79	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.019	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134	171.5	178.4	170	71.7	0	0	110.8	A55 R56 A58 G62 V124 F137	A55-Q122 CarbonylContact C-O 3.56Å; A55-Q122 WeakPolarHBondContact CA-O 3.44Å; R56-Q122 PolarHBondContact N-O 2.68Å; R56-Q122 PolarHBondContact O-N 3.19Å; A58-Q122 HydrophobicContact CB-CB 3.75Å; G62-Q122 VanDerWaalsContact O-CD 3.3Å; G62-Q122 PolarHBondContact O-NE2 3.11Å; G62-Q122 PolarHBondContact O-OE1 3.3Å; Q122-V124 HydrophobicContact CG-CG2 4.19Å; Q122-F137 HydrophobicContact CG-CB 3.89Å; Q122-F137 HydrophobicContact CG-CG 4.48Å; Q122-F137 VanDerWaalsContact NE2-CG 3.27Å
123	F	85.7	Confident	78.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.7	171.3	-63.6	-76.2	0	0	0	109.4	F20 V22 Y38 I40 Q54 A55 W112 V121 F137 W138	F20-F123 HydrophobicContact CE2-CB 4.42Å; F20-F123 HydrophobicContact CZ-CB 3.67Å; V22-F123 HydrophobicContact CB-CD2 4.49Å; V22-F123 HydrophobicContact CG1-CD2 3.86Å; V22-F123 HydrophobicContact CG1-CE2 3.79Å; V22-F123 HydrophobicContact CG2-CB 4.31Å; V22-F123 HydrophobicContact CG2-CD2 3.8Å; V22-F123 HydrophobicContact CG2-CG 4.32Å; Y38-F123 AromaticContact CD2-CE2 3.76Å; Y38-F123 HydrophobicContact CD2-CE2 3.76Å; Y38-F123 AromaticContact CD2-CZ 3.61Å; Y38-F123 HydrophobicContact CD2-CZ 3.61Å; Y38-F123 HydrophobicContact CE2-CE2 4.43Å; Y38-F123 HydrophobicContact CE2-CZ 4.49Å; Y38-F123 AromaticContact CG-CE2 3.85Å; Y38-F123 HydrophobicContact CG-CE2 3.85Å; Y38-F123 AromaticContact CG-CZ 3.94Å; Y38-F123 HydrophobicContact CG-CZ 3.94Å; I40-F123 HydrophobicContact CD1-CD1 3.65Å; I40-F123 HydrophobicContact CD1-CE1 3.49Å; I40-F123 VanDerWaalsContact CD1-CE1 3.49Å; I40-F123 HydrophobicContact CD1-CE2 4.36Å; I40-F123 HydrophobicContact CD1-CG 4.17Å; I40-F123 HydrophobicContact CD1-CZ 3.87Å; I40-F123 HydrophobicContact CG1-CB 4.41Å; I40-F123 HydrophobicContact CG1-CD1 3.84Å; I40-F123 HydrophobicContact CG1-CD2 4.43Å; I40-F123 HydrophobicContact CG1-CE1 4.2Å; I40-F123 HydrophobicContact CG1-CG 3.97Å; Q54-F123 CarbonylContact O-C 3.57Å; Q54-F123 WeakPolarHBondContact O-CA 3.26Å; A55-F123 HydrophobicContact CB-CD1 4.03Å; A55-F123 HydrophobicContact CB-CE1 3.83Å; W112-F123 HydrophobicContact CB-CE1 3.87Å; W112-F123 HydrophobicContact CB-CZ 4.23Å; W112-F123 HydrophobicContact CD2-CE1 4.04Å; W112-F123 HydrophobicContact CD2-CZ 4.09Å; W112-F123 HydrophobicContact CE3-CE1 4.42Å; W112-F123 AromaticContact CE3-CZ 4Å; W112-F123 HydrophobicContact CE3-CZ 4Å; W112-F123 AromaticContact CG-CE1 3.82Å; W112-F123 HydrophobicContact CG-CE1 3.82Å; W112-F123 HydrophobicContact CG-CZ 4.23Å; V121-F123 HydrophobicContact CG1-CE1 3.98Å; V121-F123 HydrophobicContact CG1-CE2 3.97Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å; F123-F137 CarbonylContact O-C 3.56Å; F123-F137 VanDerWaalsContact O-CA 3.25Å; F123-F137 WeakPolarHBondContact O-CA 2.97Å; F123-W138 HydrophobicContact CB-CB 4.41Å; F123-W138 HydrophobicContact CD2-CE3 4.26Å; F123-W138 PolarHBondContact O-N 2.71Å
124	V	82.4	Confident	77.5	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.048	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130	177.4	-171.1	0	0	0	0	108.3	H8 I53 Q54 Q122 W135 A136 F137	H8-V124 HydrophobicContact CB-CG1 4.49Å; I53-V124 CarbonylContact C-O 3.55Å; I53-V124 VanDerWaalsContact CA-O 3.32Å; I53-V124 WeakPolarHBondContact CA-O 3.23Å; Q54-V124 PolarHBondContact N-O 3.38Å; Q54-V124 PolarHBondContact O-N 3.46Å; Q122-V124 HydrophobicContact CG-CG2 4.19Å; V124-W135 HydrophobicContact CG1-CE3 4.31Å; V124-A136 CarbonylContact C-O 3.59Å; V124-A136 WeakPolarHBondContact CA-O 3.1Å; V124-F137 HydrophobicContact CB-CB 4.45Å; V124-F137 HydrophobicContact CG1-CB 4.47Å; V124-F137 HydrophobicContact CG2-CB 3.98Å
125	V	82.8	Confident	77.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.3	176.6	-177	0	0	0	0	108.8	F20 L42 L52 I53 V127 W135 A136	F20-V125 HydrophobicContact CD1-CB 4.3Å; F20-V125 HydrophobicContact CD1-CG2 3.7Å; F20-V125 HydrophobicContact CD2-CG2 3.63Å; F20-V125 HydrophobicContact CE1-CB 4.43Å; F20-V125 HydrophobicContact CE1-CG2 3.6Å; F20-V125 HydrophobicContact CE2-CG2 3.6Å; F20-V125 HydrophobicContact CG-CB 4.47Å; F20-V125 HydrophobicContact CG-CG2 3.69Å; F20-V125 HydrophobicContact CZ-CG2 3.56Å; L42-V125 HydrophobicContact CD1-CG1 3.97Å; L42-V125 HydrophobicContact CD2-CG1 3.87Å; L52-V125 CarbonylContact O-C 3.58Å; L52-V125 WeakPolarHBondContact O-CA 3.39Å; I53-V125 HydrophobicContact CG1-CG1 4.37Å; I53-V125 HydrophobicContact CG1-CG2 4.16Å; I53-V125 HydrophobicContact CG2-CG2 4.17Å; V125-V127 HydrophobicContact CG1-CG2 3.66Å; V125-W135 CarbonylContact O-C 3.59Å; V125-W135 WeakPolarHBondContact O-CA 3.39Å; V125-W135 WeakPolarHBondContact O-CB 3.4Å; V125-A136 PolarHBondContact N-O 2.89Å; V125-A136 PolarHBondContact O-N 3.46Å
126	T	82.5	Confident	76.8	Confident	17 Å²	17	52.1 Å²	52.1	10%	0.104	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.1	166.9	-49.4	0	0	0	0	108.1	H8 F51 L52 I133 Y134 W135	H8-T126 PolarHBondContact CE1-OG1 3.24Å; H8-T126 PolarHBondContact ND1-OG1 3.46Å; F51-T126 CarbonylContact C-O 3.54Å; F51-T126 WeakPolarHBondContact CA-O 3.5Å; F51-T126 WeakPolarHBondContact CB-O 3.37Å; L52-T126 PolarHBondContact N-O 2.73Å; L52-T126 PolarHBondContact O-N 2.95Å; T126-I133 HydrophobicContact CG2-CG2 3.58Å; T126-Y134 CarbonylContact C-O 3.57Å; T126-Y134 WeakPolarHBondContact CA-O 3.49Å; T126-W135 HydrophobicContact CG2-CB 4.13Å
127	V	80.3	Confident	76.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.6	-177.8	-179.7	0	0	0	0	108.8	Y18 L42 F48 F51 V125 Y134	Y18-V127 HydrophobicContact CD1-CB 3.87Å; Y18-V127 HydrophobicContact CD1-CG1 4.07Å; Y18-V127 HydrophobicContact CD1-CG2 3.64Å; Y18-V127 HydrophobicContact CD2-CG2 4.48Å; Y18-V127 HydrophobicContact CE1-CB 3.59Å; Y18-V127 HydrophobicContact CE1-CG1 4.27Å; Y18-V127 HydrophobicContact CE1-CG2 3.43Å; Y18-V127 VanDerWaalsContact CE1-CG2 3.43Å; Y18-V127 HydrophobicContact CE2-CG2 4.32Å; Y18-V127 HydrophobicContact CG-CG2 4.18Å; L42-V127 HydrophobicContact CD1-CG2 4.27Å; L42-V127 HydrophobicContact CD2-CG2 3.96Å; F48-V127 HydrophobicContact CB-CG1 3.83Å; F48-V127 HydrophobicContact CD1-CG1 3.2Å; F48-V127 HydrophobicContact CD2-CG1 4.39Å; F48-V127 HydrophobicContact CE1-CG1 3.76Å; F48-V127 HydrophobicContact CG-CG1 3.55Å; F48-V127 HydrophobicContact CZ-CG1 4.49Å; F51-V127 HydrophobicContact CB-CG2 4.48Å; V125-V127 HydrophobicContact CG1-CG2 3.66Å; V127-Y134 PolarHBondContact N-O 2.79Å; V127-Y134 PolarHBondContact O-N 3.39Å; V127-Y134 VanDerWaalsContact O-O 3.13Å
128	L	76.1	Confident	76.8	Confident	75 Å²	75	42.7 Å²	42.7	39%	0.393	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.1	174.1	-64	170.5	0	0	0	108.8	R49 G50 I133	R49-L128 PolarHBondContact N-O 2.7Å; G50-L128 PolarHBondContact O-N 3.2Å; L128-I133 HydrophobicContact CD2-CB 4.05Å; L128-I133 HydrophobicContact CD2-CD1 3.81Å; L128-I133 HydrophobicContact CD2-CG1 3.49Å; L128-I133 VanDerWaalsContact CD2-CG1 3.49Å; L128-I133 HydrophobicContact CD2-CG2 3.91Å
129	K	74.6	Confident	76.4	Confident	47 Å²	47	43 Å²	43	20%	0.204	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.8	170.7	178.2	-171.8	173.1	-173.8	0	107.9	P17 T46 R131 D132 Y134	P17-K129 HydrophobicContact CB-CD 4.28Å; P17-K129 HydrophobicContact CG-CD 3.84Å; T46-K129 WeakPolarHBondContact OG1-CD 3.38Å; T46-K129 WeakPolarHBondContact OG1-CE 3.19Å; K129-R131 PolarHBondContact O-N 3.19Å; K129-D132 PolarHBondContact N-O 2.93Å; K129-D132 PolarHBondContact O-N 3.4Å; K129-Y134 HydrophobicContact CB-CD2 4.18Å; K129-Y134 HydrophobicContact CB-CE2 3.87Å; K129-Y134 HydrophobicContact CD-CE2 4.19Å
130	E	74	Confident	75.6	Confident	104 Å²	104	42.2 Å²	42.2	49%	0.486	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-98.5	-176.4	-60.8	178.5	-171.7	0	0	112.9	Y47	Y47-E130 WeakPolarHBondContact OH-CG 3.46Å; Y47-E130 PolarHBondContact OH-OE1 3.2Å
131	R	70.4	Confident	74.5	Confident	241 Å²	241	47.1 Å²	47.1	91%	0.909	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-3.6	178.8	-63.7	-176.5	179.8	174.9	1.1	113.3	K129	K129-R131 PolarHBondContact O-N 3.19Å
132	D	68.8	Low	73.2	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.3	-176.4	-61.3	-45	0	0	0	111.3	K129 Y134	K129-D132 PolarHBondContact N-O 2.93Å; K129-D132 PolarHBondContact O-N 3.4Å; D132-Y134 HydrophobicContact CB-CD2 4.25Å; D132-Y134 HydrophobicContact CB-CE2 3.51Å
133	I	71.6	Confident	72.1	Confident	86 Å²	86	60.8 Å²	60.8	44%	0.441	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	97.7	-179.7	-46.1	-167.1	0	0	0	109.7	Q12 T126 L128	Q12-I133 PolarHBondContact NE2-O 3.2Å; Q12-I133 VanDerWaalsContact OE1-C 3.3Å; Q12-I133 PolarHBondContact OE1-O 2.82Å; T126-I133 HydrophobicContact CG2-CG2 3.58Å; L128-I133 HydrophobicContact CD2-CB 4.05Å; L128-I133 HydrophobicContact CD2-CD1 3.81Å; L128-I133 HydrophobicContact CD2-CG1 3.49Å; L128-I133 VanDerWaalsContact CD2-CG1 3.49Å; L128-I133 HydrophobicContact CD2-CG2 3.91Å
134	Y	73.5	Confident	71.3	Confident	27 Å²	27	64 Å²	64	11%	0.106	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.3	174.8	-59.8	-89.4	0	0	0	109.6	S14 P16 P17 T126 V127 K129 D132	S14-Y134 VanDerWaalsContact OG-CE1 3.25Å; S14-Y134 WeakPolarHBondContact OG-CE1 3.45Å; P16-Y134 HydrophobicContact CB-CD1 4.49Å; P17-Y134 HydrophobicContact CG-CD2 4.03Å; P17-Y134 HydrophobicContact CG-CE2 3.95Å; P17-Y134 HydrophobicContact CG-CG 4.38Å; T126-Y134 CarbonylContact C-O 3.57Å; T126-Y134 WeakPolarHBondContact CA-O 3.49Å; V127-Y134 PolarHBondContact N-O 2.79Å; V127-Y134 PolarHBondContact O-N 3.39Å; V127-Y134 VanDerWaalsContact O-O 3.13Å; K129-Y134 HydrophobicContact CB-CD2 4.18Å; K129-Y134 HydrophobicContact CB-CE2 3.87Å; K129-Y134 HydrophobicContact CD-CE2 4.19Å; D132-Y134 HydrophobicContact CB-CD2 4.25Å; D132-Y134 HydrophobicContact CB-CE2 3.51Å
135	W	75.1	Confident	70.6	Confident	29 Å²	29	66.4 Å²	66.4	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.1	171	67	-90.8	0	0	0	110.8	H8 G9 P10 P11 Y18 V124 V125 T126 F137	H8-W135 HydrophobicContact CB-CD2 4.44Å; H8-W135 HydrophobicContact CB-CE3 4.44Å; H8-W135 HydrophobicContact CB-CH2 4.4Å; H8-W135 HydrophobicContact CB-CZ2 4.32Å; H8-W135 HydrophobicContact CB-CZ3 4.49Å; G9-W135 WeakPolarHBondContact O-CH2 2.8Å; G9-W135 WeakPolarHBondContact O-CZ2 3.02Å; P10-W135 WeakPolarHBondContact O-CZ2 3.2Å; P10-W135 PolarHBondContact O-NE1 3.28Å; P11-W135 VanDerWaalsContact CA-CZ2 3.47Å; P11-W135 HydrophobicContact CB-CH2 4.32Å; P11-W135 HydrophobicContact CB-CZ3 4.29Å; P11-W135 HydrophobicContact CG-CE3 4.32Å; P11-W135 HydrophobicContact CG-CH2 3.7Å; P11-W135 HydrophobicContact CG-CZ2 4.33Å; P11-W135 HydrophobicContact CG-CZ3 3.67Å; Y18-W135 WeakPolarHBondContact OH-CA 2.87Å; Y18-W135 PolarHBondContact OH-N 3Å; V124-W135 HydrophobicContact CG1-CE3 4.31Å; V125-W135 CarbonylContact O-C 3.59Å; V125-W135 WeakPolarHBondContact O-CA 3.39Å; V125-W135 WeakPolarHBondContact O-CB 3.4Å; T126-W135 HydrophobicContact CG2-CB 4.13Å; W135-F137 AromaticContact CZ3-CD1 3.81Å; W135-F137 HydrophobicContact CZ3-CD1 3.81Å; W135-F137 HydrophobicContact CZ3-CE1 4.28Å
136	A	72	Confident	70.5	Confident	9 Å²	9	67.4 Å²	67.4	7%	0.074	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159	-179.9	0	0	0	0	0	109.6	Y18 V124 V125 L161	Y18-A136 HydrophobicContact CE2-CB 4.29Å; Y18-A136 PolarHBondContact OH-N 2.86Å; V124-A136 CarbonylContact C-O 3.59Å; V124-A136 WeakPolarHBondContact CA-O 3.1Å; V125-A136 PolarHBondContact N-O 2.89Å; V125-A136 PolarHBondContact O-N 3.46Å; A136-L161 HydrophobicContact CB-CD1 4.41Å
137	F	76	Confident	70.6	Confident	36 Å²	36	74 Å²	74	16%	0.158	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.4	166.6	58.5	-111.7	0	0	0	110.6	P11 Q122 F123 V124 W135 L139 L161	P11-F137 HydrophobicContact CG-CE1 4.32Å; Q122-F137 HydrophobicContact CG-CB 3.89Å; Q122-F137 HydrophobicContact CG-CG 4.48Å; Q122-F137 VanDerWaalsContact NE2-CG 3.27Å; F123-F137 CarbonylContact O-C 3.56Å; F123-F137 VanDerWaalsContact O-CA 3.25Å; F123-F137 WeakPolarHBondContact O-CA 2.97Å; V124-F137 HydrophobicContact CB-CB 4.45Å; V124-F137 HydrophobicContact CG1-CB 4.47Å; V124-F137 HydrophobicContact CG2-CB 3.98Å; W135-F137 AromaticContact CZ3-CD1 3.81Å; W135-F137 HydrophobicContact CZ3-CD1 3.81Å; W135-F137 HydrophobicContact CZ3-CE1 4.28Å; F137-L139 HydrophobicContact CD2-CD2 4.06Å; F137-L139 HydrophobicContact CD2-CG 3.96Å; F137-L139 HydrophobicContact CE2-CD1 3.9Å; F137-L139 HydrophobicContact CE2-CD2 3.81Å; F137-L139 HydrophobicContact CE2-CG 3.72Å; F137-L161 WeakPolarHBondContact CE1-O 3.18Å; F137-L161 HydrophobicContact CE2-CB 4.49Å; F137-L161 WeakPolarHBondContact CZ-O 3.34Å
138	W	74.1	Confident	70.8	Confident	24 Å²	24	80.7 Å²	80.7	9%	0.091	38%	0.375	C	S	.	.			trans	-88.2	140.5	178.4	176.7	83.9	0	0	0	111.2	F20 V22 V30 Y33 F123 P140	F20-W138 HydrophobicContact CD1-CB 4.47Å; F20-W138 HydrophobicContact CE1-CB 3.53Å; F20-W138 HydrophobicContact CZ-CB 3.55Å; V22-W138 HydrophobicContact CB-CD2 3.82Å; V22-W138 HydrophobicContact CB-CE3 4.44Å; V22-W138 HydrophobicContact CB-CG 3.94Å; V22-W138 HydrophobicContact CB-CZ2 4.27Å; V22-W138 HydrophobicContact CG2-CB 3.67Å; V22-W138 VanDerWaalsContact CG2-CD1 3.47Å; V22-W138 HydrophobicContact CG2-CD2 3.56Å; V22-W138 HydrophobicContact CG2-CE3 4.19Å; V22-W138 HydrophobicContact CG2-CG 3.26Å; V30-W138 HydrophobicContact CB-CH2 3.81Å; V30-W138 HydrophobicContact CB-CZ2 3.57Å; V30-W138 HydrophobicContact CG1-CH2 3.45Å; V30-W138 VanDerWaalsContact CG1-CH2 3.45Å; V30-W138 HydrophobicContact CG1-CZ2 3.74Å; V30-W138 WeakPolarHBondContact O-CZ2 3.25Å; Y33-W138 HydrophobicContact CD1-CH2 4.43Å; Y33-W138 AromaticContact CD1-CZ3 3.77Å; Y33-W138 HydrophobicContact CD1-CZ3 3.77Å; Y33-W138 HydrophobicContact CE1-CE3 4.06Å; Y33-W138 HydrophobicContact CE1-CH2 4.34Å; Y33-W138 AromaticContact CE1-CZ3 3.4Å; Y33-W138 HydrophobicContact CE1-CZ3 3.4Å; Y33-W138 VanDerWaalsContact CE1-CZ3 3.4Å; F123-W138 HydrophobicContact CB-CB 4.41Å; F123-W138 HydrophobicContact CD2-CE3 4.26Å; F123-W138 PolarHBondContact O-N 2.71Å; W138-P140 HydrophobicContact CH2-CB 3.38Å; W138-P140 HydrophobicContact CH2-CG 3.5Å; W138-P140 VanDerWaalsContact CZ2-CA 3.42Å; W138-P140 HydrophobicContact CZ2-CB 3.76Å; W138-P140 HydrophobicContact CZ2-CG 4.24Å; W138-P140 HydrophobicContact CZ3-CB 4.11Å; W138-P140 HydrophobicContact CZ3-CG 3.7Å
139	L	65.1	Low	71.3	Confident	41 Å²	41	85.5 Å²	85.5	22%	0.215	39%	0.393	C	S	.	.			trans	-123.8	131.8	171.1	-66.5	177.4	0	0	0	109.4	F137 K141 W145 L161	F137-L139 HydrophobicContact CD2-CD2 4.06Å; F137-L139 HydrophobicContact CD2-CG 3.96Å; F137-L139 HydrophobicContact CE2-CD1 3.9Å; F137-L139 HydrophobicContact CE2-CD2 3.81Å; F137-L139 HydrophobicContact CE2-CG 3.72Å; L139-K141 PolarHBondContact O-N 3.36Å; L139-W145 HydrophobicContact CD1-CH2 4.07Å; L139-L161 HydrophobicContact CD1-CD2 4.32Å
140	P	59.8	Low	71.8	Confident	24 Å²	24	84.7 Å²	84.7	16%	0.156	39%	0.393	C	S	.	.	S	Bend	trans	-66.7	119.6	171.2	6.4	-3.3	0	0	0	110.4	K31 Y33 W138	K31-P140 VanDerWaalsContact O-CB 3.25Å; K31-P140 WeakPolarHBondContact O-CB 2.91Å; Y33-P140 HydrophobicContact CD1-CG 3.9Å; Y33-P140 HydrophobicContact CD2-CG 3.39Å; Y33-P140 HydrophobicContact CE1-CG 3.61Å; Y33-P140 HydrophobicContact CE2-CG 3.12Å; Y33-P140 HydrophobicContact CG-CG 3.8Å; Y33-P140 WeakPolarHBondContact OH-CD 3.41Å; W138-P140 HydrophobicContact CH2-CB 3.38Å; W138-P140 HydrophobicContact CH2-CG 3.5Å; W138-P140 VanDerWaalsContact CZ2-CA 3.42Å; W138-P140 HydrophobicContact CZ2-CB 3.76Å; W138-P140 HydrophobicContact CZ2-CG 4.24Å; W138-P140 HydrophobicContact CZ3-CB 4.11Å; W138-P140 HydrophobicContact CZ3-CG 3.7Å
141	K	56.8	Low	72.4	Confident	136 Å²	136	80.5 Å²	80.5	59%	0.591	38%	0.375	S	S	*	.	S	Bend	trans	52.5	115.3	176.1	-119.4	-179.9	178.6	-177.9	0	115.6	K31 L139 Q143	K31-K141 HydrophobicContact CB-CD 4.1Å; K31-K141 HydrophobicContact CB-CG 4.4Å; K31-K141 HydrophobicContact CD-CD 4.46Å; K31-K141 HydrophobicContact CG-CD 4.18Å; K31-K141 HydrophobicContact CG-CG 4.31Å; L139-K141 PolarHBondContact O-N 3.36Å; K141-Q143 PolarHBondContact O-N 3.02Å
142	E	54.7	Low	73.4	Confident	175 Å²	175	73.7 Å²	73.7	82%	0.818	35%	0.353	S	S	*	.			trans	-46.7	103.4	172.7	-74.4	176.9	130.2	0	0	111.9	D144	E142-D144 PolarHBondContact O-N 3.26Å
143	Q	57.2	Low	74.5	Confident	119 Å²	119	73.2 Å²	73.2	56%	0.556	35%	0.351	S	S	*	.			trans	-69.9	105.1	150.9	179.5	65.2	46.3	0	0	105.6	K141 W145	K141-Q143 PolarHBondContact O-N 3.02Å; Q143-W145 HydrophobicContact CB-CD2 4.28Å; Q143-W145 HydrophobicContact CB-CH2 4.32Å; Q143-W145 HydrophobicContact CB-CZ2 3.74Å; Q143-W145 HydrophobicContact CG-CD2 4.23Å; Q143-W145 HydrophobicContact CG-CG 4.32Å; Q143-W145 HydrophobicContact CG-CZ2 4.23Å; Q143-W145 VanDerWaalsContact O-CZ3 3.3Å; Q143-W145 WeakPolarHBondContact O-CZ3 3.3Å; Q143-W145 PolarHBondContact O-N 3Å
144	D	68.9	Low	75.3	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.353	36%	0.361	S	S	.	.			trans	-69.6	96.6	172.8	179.8	10.2	0	0	0	108.8	E142 C146 K147 N159	E142-D144 PolarHBondContact O-N 3.26Å; D144-C146 PolarHBondContact O-N 2.95Å; D144-C146 WeakPolarHBondContact OD1-CA 3.43Å; D144-C146 VanDerWaalsContact OD1-CB 3.26Å; D144-C146 WeakPolarHBondContact OD1-CB 3.38Å; D144-C146 PolarHBondContact OD1-N 3.46Å; D144-K147 HydrophobicContact CB-CB 4.11Å; D144-K147 WeakPolarHBondContact O-CB 3.4Å; D144-K147 PolarHBondContact O-N 2.78Å; D144-K147 PolarHBondContact OD1-N 3.3Å; D144-K147 VanDerWaalsContact OD1-N 3.11Å; D144-K147 PolarHBondContact OD2-N 3.08Å; D144-N159 PolarHBondContact OD1-ND2 3.46Å; D144-N159 PolarHBondContact OD1-OD1 3.47Å
145	W	68.6	Low	75.9	Confident	59 Å²	59	71.6 Å²	71.6	22%	0.223	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-72.7	-18.8	176.6	-61.6	-78	0	0	0	111.8	L139 Q143 K147 N159 K165 F166	L139-W145 HydrophobicContact CD1-CH2 4.07Å; Q143-W145 HydrophobicContact CB-CD2 4.28Å; Q143-W145 HydrophobicContact CB-CH2 4.32Å; Q143-W145 HydrophobicContact CB-CZ2 3.74Å; Q143-W145 HydrophobicContact CG-CD2 4.23Å; Q143-W145 HydrophobicContact CG-CG 4.32Å; Q143-W145 HydrophobicContact CG-CZ2 4.23Å; Q143-W145 VanDerWaalsContact O-CZ3 3.3Å; Q143-W145 WeakPolarHBondContact O-CZ3 3.3Å; Q143-W145 PolarHBondContact O-N 3Å; W145-K147 VanDerWaalsContact C-N 3.32Å; W145-N159 HydrophobicContact CE3-CB 4.33Å; W145-N159 PolarHBondContact N-OD1 3.1Å; W145-K165 HydrophobicContact CB-CB 4.38Å; W145-K165 HydrophobicContact CD2-CB 3.46Å; W145-K165 VanDerWaalsContact CD2-CB 3.46Å; W145-K165 HydrophobicContact CD2-CG 4.11Å; W145-K165 HydrophobicContact CE3-CB 3.96Å; W145-K165 HydrophobicContact CG-CB 3.63Å; W145-K165 HydrophobicContact CG-CG 4.47Å; W145-K165 HydrophobicContact CH2-CB 4.5Å; W145-K165 HydrophobicContact CH2-CG 4.43Å; W145-K165 HydrophobicContact CZ2-CB 4.07Å; W145-K165 HydrophobicContact CZ2-CD 4.24Å; W145-K165 HydrophobicContact CZ2-CG 3.79Å; W145-K165 HydrophobicContact CZ3-CB 4.45Å; W145-F166 HydrophobicContact CB-CB 3.97Å; W145-F166 HydrophobicContact CB-CD1 3.89Å; W145-F166 HydrophobicContact CB-CG 4.28Å
146	C	81.1	Confident	76.5	Confident	21 Å²	21	74.5 Å²	74.5	14%	0.142	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-80.1	-10.3	171.7	-65.4	0	0	0	0	114	D144 N148 K149 C157 M158 N159	D144-C146 PolarHBondContact O-N 2.95Å; D144-C146 WeakPolarHBondContact OD1-CA 3.43Å; D144-C146 VanDerWaalsContact OD1-CB 3.26Å; D144-C146 WeakPolarHBondContact OD1-CB 3.38Å; D144-C146 PolarHBondContact OD1-N 3.46Å; C146-N148 PolarHBondContact O-N 3.22Å; C146-N148 VanDerWaalsContact O-N 3.14Å; C146-K149 PolarHBondContact O-N 3.43Å; C146-C157 WeakPolarHBondContact CA-SG 3.28Å; C146-C157 HydrophobicContact CB-CB 3.59Å; C146-C157 WeakPolarHBondContact CB-SG 3.45Å; C146-C157 WeakPolarHBondContact SG-CB 3.44Å; C146-C157 CovalentContact SG-SG 2.03Å; C146-C157 PolarHBondContact SG-SG 3.34Å; C146-M158 PolarHBondContact SG-N 2.84Å; C146-M158 VanDerWaalsContact SG-N 3.41Å; C146-N159 PolarHBondContact N-OD1 3.36Å; C146-N159 VanDerWaalsContact N-OD1 3.1Å; C146-N159 PolarHBondContact SG-N 3.11Å; C146-N159 VanDerWaalsContact SG-N 3.38Å; C146-N159 PolarHBondContact SG-OD1 2.97Å
147	K	83.4	Confident	77	Confident	155 Å²	155	75.5 Å²	75.5	67%	0.674	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-53.4	-36.7	178	-173.2	176.4	179.9	179.9	0	113	D144 W145 K149	D144-K147 HydrophobicContact CB-CB 4.11Å; D144-K147 WeakPolarHBondContact O-CB 3.4Å; D144-K147 PolarHBondContact O-N 2.78Å; D144-K147 PolarHBondContact OD1-N 3.3Å; D144-K147 VanDerWaalsContact OD1-N 3.11Å; D144-K147 PolarHBondContact OD2-N 3.08Å; W145-K147 VanDerWaalsContact C-N 3.32Å; K147-K149 VanDerWaalsContact C-N 3.28Å; K147-K149 PolarHBondContact O-N 3.47Å
148	N	85.1	Confident	76.8	Confident	141 Å²	141	77.2 Å²	77.2	75%	0.754	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-86.5	6.2	-179.5	-70.2	-12.2	0	0	0	113.7	C146	C146-N148 PolarHBondContact O-N 3.22Å; C146-N148 VanDerWaalsContact O-N 3.14Å
149	K	86.2	Confident	76.3	Confident	177 Å²	177	79 Å²	79	77%	0.77	41%	0.411	S	S	*	.			trans	46.4	59.4	-176.1	-58.9	-178.6	179.5	-178	0	112.1	C146 K147 C151	C146-K149 PolarHBondContact O-N 3.43Å; K147-K149 VanDerWaalsContact C-N 3.28Å; K147-K149 PolarHBondContact O-N 3.47Å; K149-C151 PolarHBondContact O-N 3.05Å
150	P	86.3	Confident	75.8	Confident	30 Å²	30	78 Å²	78	20%	0.195	41%	0.406	C	S	.	.			trans	-65.1	-22.2	-174.5	28	-36	0	0	0	113.4	F166 L178	P150-F166 HydrophobicContact CB-CD2 4.27Å; P150-F166 HydrophobicContact CB-CE1 4.43Å; P150-F166 HydrophobicContact CB-CE2 3.55Å; P150-F166 HydrophobicContact CB-CZ 3.64Å; P150-F166 HydrophobicContact CG-CD2 3.54Å; P150-F166 HydrophobicContact CG-CE1 4.34Å; P150-F166 HydrophobicContact CG-CE2 3.34Å; P150-F166 HydrophobicContact CG-CG 4.14Å; P150-F166 HydrophobicContact CG-CZ 3.78Å; P150-L178 HydrophobicContact CB-CD2 4.3Å
151	C	86.3	Confident	75.2	Confident	16 Å²	16	80.6 Å²	80.6	11%	0.108	42%	0.419	C	S	.	.			trans	-78.4	125.4	179.9	-49.3	0	0	0	0	111.2	K149 G155 C157 C168	K149-C151 PolarHBondContact O-N 3.05Å; C151-G155 VanDerWaalsContact CB-O 3.3Å; C151-G155 WeakPolarHBondContact CB-O 3.44Å; C151-C157 WeakPolarHBondContact SG-CA 3.26Å; C151-C157 WeakPolarHBondContact SG-CB 3.4Å; C151-C168 WeakPolarHBondContact CA-SG 3.41Å; C151-C168 HydrophobicContact CB-CB 3.73Å; C151-C168 WeakPolarHBondContact CB-SG 3.17Å; C151-C168 WeakPolarHBondContact SG-CA 3.32Å; C151-C168 WeakPolarHBondContact SG-CB 3.18Å; C151-C168 CovalentContact SG-SG 2.02Å; C151-C168 PolarHBondContact SG-SG 3.38Å
152	Q	91.5	Very high	74.5	Confident	98 Å²	98	75.6 Å²	75.6	46%	0.458	40%	0.4	S	S	.	.			trans	-86.6	171.1	178	-56.3	-170.7	17.9	0	0	111.1	G154 G155 L178 C179	Q152-G154 PolarHBondContact O-N 2.87Å; Q152-G155 PolarHBondContact O-N 2.79Å; Q152-L178 WeakPolarHBondContact CB-O 2.86Å; Q152-L178 PolarHBondContact N-O 2.82Å; Q152-C179 WeakPolarHBondContact O-CB 3.32Å
153	N	91.2	Very high	73.9	Confident	69 Å²	69	71.1 Å²	71.1	37%	0.369	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.5	168.8	-56.6	-56.4	0	0	0	116.2	P171 W174 C179	N153-P171 VanDerWaalsContact O-CG 3.25Å; N153-P171 WeakPolarHBondContact O-CG 3.39Å; N153-W174 HydrophobicContact CB-CD2 3.39Å; N153-W174 HydrophobicContact CB-CE3 3.73Å; N153-W174 HydrophobicContact CB-CG 3.86Å; N153-W174 HydrophobicContact CB-CH2 4Å; N153-W174 HydrophobicContact CB-CZ2 3.68Å; N153-W174 HydrophobicContact CB-CZ3 4.04Å; N153-W174 VanDerWaalsContact CG-CE3 3.48Å; N153-W174 VanDerWaalsContact CG-CZ2 3.46Å; N153-W174 WeakPolarHBondContact ND2-CZ3 3.24Å; N153-W174 VanDerWaalsContact OD1-CH2 3.28Å; N153-W174 WeakPolarHBondContact OD1-CH2 3.17Å; N153-C179 PolarHBondContact ND2-O 3.22Å
154	G	88.9	Confident	73.6	Confident	64 Å²	64	69.5 Å²	69.5	66%	0.66	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	11.9	-179.9	0	0	0	0	0	114.4	Q152	Q152-G154 PolarHBondContact O-N 2.87Å
155	G	86.4	Confident	73.2	Confident	14 Å²	14	70.8 Å²	70.8	14%	0.144	38%	0.379	C	S	.	.			trans	-57.9	134.3	171.6	0	0	0	0	0	112.5	C151 Q152 N169	C151-G155 VanDerWaalsContact CB-O 3.3Å; C151-G155 WeakPolarHBondContact CB-O 3.44Å; Q152-G155 PolarHBondContact O-N 2.79Å; G155-N169 WeakPolarHBondContact CA-O 3.17Å
156	T	86.4	Confident	73.2	Confident	90 Å²	90	70.3 Å²	70.3	55%	0.552	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	115	175.4	-61	0	0	0	0	109	N169	T156-N169 PolarHBondContact N-O 3.31Å; T156-N169 PolarHBondContact O-N 2.88Å
157	C	83	Confident	72.3	Confident	30 Å²	30	72.3 Å²	72.3	20%	0.203	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.6	175.9	-170.3	0	0	0	0	110.7	C146 C151	C146-C157 WeakPolarHBondContact CA-SG 3.28Å; C146-C157 HydrophobicContact CB-CB 3.59Å; C146-C157 WeakPolarHBondContact CB-SG 3.45Å; C146-C157 WeakPolarHBondContact SG-CB 3.44Å; C146-C157 CovalentContact SG-SG 2.03Å; C146-C157 PolarHBondContact SG-SG 3.34Å; C151-C157 WeakPolarHBondContact SG-CA 3.26Å; C151-C157 WeakPolarHBondContact SG-CB 3.4Å
158	M	72.8	Confident	71.9	Confident	73 Å²	73	65.5 Å²	65.5	36%	0.36	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	170.3	-57.6	-177.5	-55.6	0	0	108.7	C146 T160 F166 Q167 N169	C146-M158 PolarHBondContact SG-N 2.84Å; C146-M158 VanDerWaalsContact SG-N 3.41Å; M158-T160 PolarHBondContact O-N 3.1Å; M158-F166 CarbonylContact O-C 3.51Å; M158-F166 VanDerWaalsContact O-CA 3.24Å; M158-F166 WeakPolarHBondContact O-CA 3.34Å; M158-Q167 PolarHBondContact N-O 2.94Å; M158-Q167 PolarHBondContact O-N 3.47Å; M158-N169 VanDerWaalsContact CE-CG 3.42Å; M158-N169 WeakPolarHBondContact CE-ND2 3.02Å; M158-N169 WeakPolarHBondContact CE-OD1 3.26Å; M158-N169 PolarHBondContact SD-ND2 3.26Å; M158-N169 VanDerWaalsContact SD-ND2 3.41Å
159	N	63.6	Low	71.4	Confident	62 Å²	62	62.3 Å²	62.3	33%	0.332	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	129.5	169.1	-70.8	-47.5	0	0	0	107.7	D144 W145 C146	D144-N159 PolarHBondContact OD1-ND2 3.46Å; D144-N159 PolarHBondContact OD1-OD1 3.47Å; W145-N159 HydrophobicContact CE3-CB 4.33Å; W145-N159 PolarHBondContact N-OD1 3.1Å; C146-N159 PolarHBondContact N-OD1 3.36Å; C146-N159 VanDerWaalsContact N-OD1 3.1Å; C146-N159 PolarHBondContact SG-N 3.11Å; C146-N159 VanDerWaalsContact SG-N 3.38Å; C146-N159 PolarHBondContact SG-OD1 2.97Å
160	T	52.7	Low	71.1	Confident	19 Å²	19	56 Å²	56	12%	0.117	32%	0.318	C	S	.	.			trans	-116.1	143.4	178.2	67.8	0	0	0	0	109.2	M158 T162 K165 Q167	M158-T160 PolarHBondContact O-N 3.1Å; T160-T162 PolarHBondContact O-N 2.92Å; T160-T162 VanDerWaalsContact O-N 3.1Å; T160-T162 PolarHBondContact OG1-OG1 3.4Å; T160-K165 PolarHBondContact N-O 2.85Å; T160-K165 CarbonylContact O-C 3.53Å; T160-K165 VanDerWaalsContact O-O 3.06Å; T160-Q167 HydrophobicContact CG2-CB 3.53Å
161	L	47.9	Very low	71	Confident	79 Å²	79	56.9 Å²	56.9	41%	0.414	32%	0.324	S	S	.	.	S	Bend	trans	-77.3	19.1	169.9	-58.8	174.4	0	0	0	111	P11 A136 F137 L139	P11-L161 HydrophobicContact CG-CB 4.24Å; P11-L161 WeakPolarHBondContact CG-O 3Å; A136-L161 HydrophobicContact CB-CD1 4.41Å; F137-L161 WeakPolarHBondContact CE1-O 3.18Å; F137-L161 HydrophobicContact CE2-CB 4.49Å; F137-L161 WeakPolarHBondContact CZ-O 3.34Å; L139-L161 HydrophobicContact CD1-CD2 4.32Å
162	T	42.1	Very low	70.8	Confident	31 Å²	31	63.3 Å²	63.3	19%	0.19	36%	0.356	C	S	.	.	S	Bend	trans	-89	169.4	175.8	75.2	0	0	0	0	109.8	T160 E164 K165	T160-T162 PolarHBondContact O-N 2.92Å; T160-T162 VanDerWaalsContact O-N 3.1Å; T160-T162 PolarHBondContact OG1-OG1 3.4Å; T162-E164 PolarHBondContact O-N 3.14Å; T162-E164 PolarHBondContact OG1-N 3.03Å; T162-K165 PolarHBondContact O-N 3.46Å
163	V	42.1	Very low	70.5	Confident	81 Å²	81	59.5 Å²	59.5	49%	0.491	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.4	174.4	-174.5	0	0	0	0	112.2	K165	V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.42Å
164	E	50.2	Low	70.3	Confident	85 Å²	85	60 Å²	60	40%	0.397	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.2	-176	-49.5	-167.2	175.3	0	0	113.3	T162 F166 K489	T162-E164 PolarHBondContact O-N 3.14Å; T162-E164 PolarHBondContact OG1-N 3.03Å; E164-F166 PolarHBondContact O-N 3.42Å; E164-K489 VanDerWaalsContact CG-NZ 3.32Å; E164-K489 WeakPolarHBondContact OE1-CD 3.41Å; E164-K489 WeakPolarHBondContact OE1-CE 3.41Å; E164-K489 IonicContact OE1-NZ 2.7Å; E164-K489 PolarHBondContact OE1-NZ 2.77Å; E164-K489 WeakPolarHBondContact OE2-CE 3.3Å; E164-K489 IonicContact OE2-NZ 3.24Å; E164-K489 PolarHBondContact OE2-NZ 2.89Å
165	K	61	Low	69.6	Low	92 Å²	92	58.6 Å²	58.6	40%	0.4	32%	0.317	S	S	.	.	S	Bend	trans	67.1	-35.2	174.1	-66.4	165.9	166.7	-173.9	0	114.8	W145 T160 T162 V163	W145-K165 HydrophobicContact CB-CB 4.38Å; W145-K165 HydrophobicContact CD2-CB 3.46Å; W145-K165 VanDerWaalsContact CD2-CB 3.46Å; W145-K165 HydrophobicContact CD2-CG 4.11Å; W145-K165 HydrophobicContact CE3-CB 3.96Å; W145-K165 HydrophobicContact CG-CB 3.63Å; W145-K165 HydrophobicContact CG-CG 4.47Å; W145-K165 HydrophobicContact CH2-CB 4.5Å; W145-K165 HydrophobicContact CH2-CG 4.43Å; W145-K165 HydrophobicContact CZ2-CB 4.07Å; W145-K165 HydrophobicContact CZ2-CD 4.24Å; W145-K165 HydrophobicContact CZ2-CG 3.79Å; W145-K165 HydrophobicContact CZ3-CB 4.45Å; T160-K165 PolarHBondContact N-O 2.85Å; T160-K165 CarbonylContact O-C 3.53Å; T160-K165 VanDerWaalsContact O-O 3.06Å; T162-K165 PolarHBondContact O-N 3.46Å; V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.42Å
166	F	68	Low	68.8	Low	50 Å²	50	58.7 Å²	58.7	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	164.9	172.6	69.4	-81.4	0	0	0	110.5	W145 P150 M158 E164 L178	W145-F166 HydrophobicContact CB-CB 3.97Å; W145-F166 HydrophobicContact CB-CD1 3.89Å; W145-F166 HydrophobicContact CB-CG 4.28Å; P150-F166 HydrophobicContact CB-CD2 4.27Å; P150-F166 HydrophobicContact CB-CE1 4.43Å; P150-F166 HydrophobicContact CB-CE2 3.55Å; P150-F166 HydrophobicContact CB-CZ 3.64Å; P150-F166 HydrophobicContact CG-CD2 3.54Å; P150-F166 HydrophobicContact CG-CE1 4.34Å; P150-F166 HydrophobicContact CG-CE2 3.34Å; P150-F166 HydrophobicContact CG-CG 4.14Å; P150-F166 HydrophobicContact CG-CZ 3.78Å; M158-F166 CarbonylContact O-C 3.51Å; M158-F166 VanDerWaalsContact O-CA 3.24Å; M158-F166 WeakPolarHBondContact O-CA 3.34Å; E164-F166 PolarHBondContact O-N 3.42Å; F166-L178 HydrophobicContact CE2-CD2 3.76Å; F166-L178 HydrophobicContact CZ-CD2 3.79Å
167	Q	63.8	Low	67.8	Low	63 Å²	63	56.8 Å²	56.8	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.7	173.1	179.2	177.3	-5.7	0	0	108.9	M158 T160	M158-Q167 PolarHBondContact N-O 2.94Å; M158-Q167 PolarHBondContact O-N 3.47Å; T160-Q167 HydrophobicContact CG2-CB 3.53Å
168	C	74.7	Confident	67.7	Low	12 Å²	12	58 Å²	58	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.2	173.6	-63.3	0	0	0	0	110.3	C151 C170 T177 C179	C151-C168 WeakPolarHBondContact CA-SG 3.41Å; C151-C168 HydrophobicContact CB-CB 3.73Å; C151-C168 WeakPolarHBondContact CB-SG 3.17Å; C151-C168 WeakPolarHBondContact SG-CA 3.32Å; C151-C168 WeakPolarHBondContact SG-CB 3.18Å; C151-C168 CovalentContact SG-SG 2.02Å; C151-C168 PolarHBondContact SG-SG 3.38Å; C168-C170 PolarHBondContact O-N 3.45Å; C168-T177 WeakPolarHBondContact CB-O 3.48Å; C168-T177 PolarHBondContact SG-O 3.41Å; C168-T177 VanDerWaalsContact SG-O 3.32Å; C168-C179 VanDerWaalsContact CB-SG 3.53Å
169	N	74.5	Confident	68.2	Low	73 Å²	73	54.5 Å²	54.5	39%	0.39	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	105.7	165.3	-76.4	-2.5	0	0	0	108.3	G155 T156 M158	G155-N169 WeakPolarHBondContact CA-O 3.17Å; T156-N169 PolarHBondContact N-O 3.31Å; T156-N169 PolarHBondContact O-N 2.88Å; M158-N169 VanDerWaalsContact CE-CG 3.42Å; M158-N169 WeakPolarHBondContact CE-ND2 3.02Å; M158-N169 WeakPolarHBondContact CE-OD1 3.26Å; M158-N169 PolarHBondContact SD-ND2 3.26Å; M158-N169 VanDerWaalsContact SD-ND2 3.41Å
170	C	79.3	Confident	69.3	Low	45 Å²	45	54.5 Å²	54.5	30%	0.304	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-77.9	136.3	-177.2	-55.1	0	0	0	0	111.5	C168 W174 C179	C168-C170 PolarHBondContact O-N 3.45Å; C170-W174 HydrophobicContact CB-CB 4.17Å; C170-W174 WeakPolarHBondContact CB-O 3.2Å; C170-C179 WeakPolarHBondContact CA-SG 3.2Å; C170-C179 HydrophobicContact CB-CB 3.78Å; C170-C179 WeakPolarHBondContact CB-SG 3.33Å; C170-C179 WeakPolarHBondContact SG-CA 3.31Å; C170-C179 WeakPolarHBondContact SG-CB 3.14Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.41Å
171	P	85.3	Confident	70.8	Confident	49 Å²	49	56.8 Å²	56.8	32%	0.318	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.2	161.7	169.9	26.6	-31.1	0	0	0	110.6	N153 G173 W174	N153-P171 VanDerWaalsContact O-CG 3.25Å; N153-P171 WeakPolarHBondContact O-CG 3.39Å; P171-G173 PolarHBondContact O-N 2.03Å; P171-W174 PolarHBondContact O-N 2.89Å; P171-W174 VanDerWaalsContact O-N 3.15Å
172	L	81.4	Confident	72.5	Confident	151 Å²	151	58.9 Å²	58.9	79%	0.791	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	130.3	177	-173.2	70.2	0	0	0	110.6	A186	L172-A186 HydrophobicContact CD1-CB 4.12Å; L172-A186 HydrophobicContact CG-CB 4.34Å
173	G	85.3	Confident	74.5	Confident	17 Å²	17	58.8 Å²	58.8	18%	0.175	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	3.3	-177.2	0	0	0	0	0	115.4	P171 D183	P171-G173 PolarHBondContact O-N 2.03Å; G173-D183 PolarHBondContact O-N 3.37Å
174	W	85.7	Confident	76.7	Confident	79 Å²	79	57.4 Å²	57.4	30%	0.299	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.8	178.1	-61.8	92.3	0	0	0	112.5	N153 C170 P171 C179 K181 K182	N153-W174 HydrophobicContact CB-CD2 3.39Å; N153-W174 HydrophobicContact CB-CE3 3.73Å; N153-W174 HydrophobicContact CB-CG 3.86Å; N153-W174 HydrophobicContact CB-CH2 4Å; N153-W174 HydrophobicContact CB-CZ2 3.68Å; N153-W174 HydrophobicContact CB-CZ3 4.04Å; N153-W174 VanDerWaalsContact CG-CE3 3.48Å; N153-W174 VanDerWaalsContact CG-CZ2 3.46Å; N153-W174 WeakPolarHBondContact ND2-CZ3 3.24Å; N153-W174 VanDerWaalsContact OD1-CH2 3.28Å; N153-W174 WeakPolarHBondContact OD1-CH2 3.17Å; C170-W174 HydrophobicContact CB-CB 4.17Å; C170-W174 WeakPolarHBondContact CB-O 3.2Å; P171-W174 PolarHBondContact O-N 2.89Å; P171-W174 VanDerWaalsContact O-N 3.15Å; W174-C179 HydrophobicContact CB-CB 4.25Å; W174-K181 CarbonylContact C-O 3.58Å; W174-K181 WeakPolarHBondContact CA-O 3.34Å; W174-K182 HydrophobicContact CZ3-CB 4.31Å
175	I	75.5	Confident	78.4	Confident	35 Å²	35	54.4 Å²	54.4	18%	0.179	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	173.8	-179.6	51.1	163	0	0	0	111.2	C179 D180 K181 D183	I175-C179 CarbonylContact O-C 3.4Å; I175-C179 WeakPolarHBondContact O-CA 3.15Å; I175-D180 PolarHBondContact O-N 3.1Å; I175-K181 HydrophobicContact CD1-CB 4.46Å; I175-K181 HydrophobicContact CG1-CB 3.92Å; I175-K181 WeakPolarHBondContact CG1-O 3.13Å; I175-K181 PolarHBondContact N-O 2.97Å; I175-K181 PolarHBondContact O-N 3.05Å; I175-K181 VanDerWaalsContact O-N 3.11Å; I175-D183 HydrophobicContact CG1-CB 4.13Å; I175-D183 HydrophobicContact CG2-CB 3.82Å
176	G	68.4	Low	79.5	Confident	16 Å²	16	51.4 Å²	51.4	17%	0.165	27%	0.274	C	S	.	.	S	Bend	trans	95	161.2	-176.2	0	0	0	0	0	112.6	L178 C179	G176-L178 PolarHBondContact O-N 3.23Å; G176-L178 VanDerWaalsContact O-N 3.15Å; G176-C179 PolarHBondContact O-N 2.91Å; G176-C179 VanDerWaalsContact O-N 3.13Å
177	T	65.8	Low	80.3	Confident	51 Å²	51	54.8 Å²	54.8	31%	0.313	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.1	-178.9	38.4	0	0	0	0	114.4	C168 K489	C168-T177 WeakPolarHBondContact CB-O 3.48Å; C168-T177 PolarHBondContact SG-O 3.41Å; C168-T177 VanDerWaalsContact SG-O 3.32Å; T177-K489 HydrophobicContact CG2-CG 3.5Å; T177-K489 WeakPolarHBondContact CG2-O 3.49Å; T177-K489 PolarHBondContact OG1-O 3.08Å
178	L	81.4	Confident	81.4	Confident	54 Å²	54	55.4 Å²	55.4	28%	0.283	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	9.8	179.9	-58.6	-179.8	0	0	0	112.1	P150 Q152 F166 G176 D180	P150-L178 HydrophobicContact CB-CD2 4.3Å; Q152-L178 WeakPolarHBondContact CB-O 2.86Å; Q152-L178 PolarHBondContact N-O 2.82Å; F166-L178 HydrophobicContact CE2-CD2 3.76Å; F166-L178 HydrophobicContact CZ-CD2 3.79Å; G176-L178 PolarHBondContact O-N 3.23Å; G176-L178 VanDerWaalsContact O-N 3.15Å; L178-D180 HydrophobicContact CB-CB 4.32Å; L178-D180 PolarHBondContact O-N 2.87Å
179	C	82.5	Confident	82.2	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	55	32.3	-173	-46.1	0	0	0	0	112.9	Q152 N153 C168 C170 W174 I175 G176	Q152-C179 WeakPolarHBondContact O-CB 3.32Å; N153-C179 PolarHBondContact ND2-O 3.22Å; C168-C179 VanDerWaalsContact CB-SG 3.53Å; C170-C179 WeakPolarHBondContact CA-SG 3.2Å; C170-C179 HydrophobicContact CB-CB 3.78Å; C170-C179 WeakPolarHBondContact CB-SG 3.33Å; C170-C179 WeakPolarHBondContact SG-CA 3.31Å; C170-C179 WeakPolarHBondContact SG-CB 3.14Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.41Å; W174-C179 HydrophobicContact CB-CB 4.25Å; I175-C179 CarbonylContact O-C 3.4Å; I175-C179 WeakPolarHBondContact O-CA 3.15Å; G176-C179 PolarHBondContact O-N 2.91Å; G176-C179 VanDerWaalsContact O-N 3.13Å
180	D	87.8	Confident	82.8	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.332	31%	0.311	S	S	.	.			trans	-89.6	-11.6	-174.2	59.1	-48.9	0	0	0	113	I175 L178	I175-D180 PolarHBondContact O-N 3.1Å; L178-D180 HydrophobicContact CB-CB 4.32Å; L178-D180 PolarHBondContact O-N 2.87Å
181	K	83.8	Confident	83.2	Confident	68 Å²	68	61.5 Å²	61.5	30%	0.296	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.5	-178.6	-68.1	176.9	178.8	175.2	0	110.7	W174 I175 D490 G491 S492	W174-K181 CarbonylContact C-O 3.58Å; W174-K181 WeakPolarHBondContact CA-O 3.34Å; I175-K181 HydrophobicContact CD1-CB 4.46Å; I175-K181 HydrophobicContact CG1-CB 3.92Å; I175-K181 WeakPolarHBondContact CG1-O 3.13Å; I175-K181 PolarHBondContact N-O 2.97Å; I175-K181 PolarHBondContact O-N 3.05Å; I175-K181 VanDerWaalsContact O-N 3.11Å; K181-D490 PolarHBondContact NZ-O 2.73Å; K181-G491 VanDerWaalsContact CD-O 3.24Å; K181-G491 WeakPolarHBondContact CD-O 3.12Å; K181-G491 PolarHBondContact NZ-O 3.19Å; K181-S492 VanDerWaalsContact NZ-N 3.15Å
182	K	84	Confident	83	Confident	122 Å²	122	63.9 Å²	63.9	53%	0.53	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.4	177	-168.4	170.6	-178.4	178.1	0	109.9	W174 F184	W174-K182 HydrophobicContact CZ3-CB 4.31Å; K182-F184 HydrophobicContact CB-CE2 4.11Å; K182-F184 HydrophobicContact CB-CZ 4.15Å; K182-F184 HydrophobicContact CD-CD1 4.23Å; K182-F184 HydrophobicContact CD-CE1 3.8Å; K182-F184 HydrophobicContact CD-CZ 4.09Å; K182-F184 HydrophobicContact CG-CD1 4.47Å; K182-F184 HydrophobicContact CG-CE1 4.33Å; K182-F184 HydrophobicContact CG-CZ 4.38Å; K182-F184 PolarHBondContact O-N 3.15Å
183	D	84.3	Confident	82.8	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.16	29%	0.294	C	S	.	.			trans	-90.4	95.7	170.1	-170.1	-6.9	0	0	0	108.8	G173 I175 C185 A186 N197	G173-D183 PolarHBondContact O-N 3.37Å; I175-D183 HydrophobicContact CG1-CB 4.13Å; I175-D183 HydrophobicContact CG2-CB 3.82Å; D183-C185 PolarHBondContact O-N 2.77Å; D183-C185 WeakPolarHBondContact OD1-CA 3.01Å; D183-C185 WeakPolarHBondContact OD1-CB 3.48Å; D183-C185 PolarHBondContact OD1-N 2.92Å; D183-A186 HydrophobicContact CB-CB 4.17Å; D183-A186 PolarHBondContact O-N 3.36Å; D183-A186 PolarHBondContact OD1-N 3.39Å; D183-N197 PolarHBondContact OD1-ND2 2.95Å; D183-N197 PolarHBondContact OD1-OD1 3.32Å
184	F	88	Confident	82.4	Confident	52 Å²	52	57.5 Å²	57.5	23%	0.228	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.5	176.7	-62.4	-83.6	0	0	0	112.4	K182 N197 G201 Y202	K182-F184 HydrophobicContact CB-CE2 4.11Å; K182-F184 HydrophobicContact CB-CZ 4.15Å; K182-F184 HydrophobicContact CD-CD1 4.23Å; K182-F184 HydrophobicContact CD-CE1 3.8Å; K182-F184 HydrophobicContact CD-CZ 4.09Å; K182-F184 HydrophobicContact CG-CD1 4.47Å; K182-F184 HydrophobicContact CG-CE1 4.33Å; K182-F184 HydrophobicContact CG-CZ 4.38Å; K182-F184 PolarHBondContact O-N 3.15Å; F184-N197 WeakPolarHBondContact CA-OD1 3.45Å; F184-N197 WeakPolarHBondContact CB-OD1 3.21Å; F184-N197 PolarHBondContact N-OD1 2.98Å; F184-G201 WeakPolarHBondContact CB-O 3.39Å; F184-G201 WeakPolarHBondContact CD2-O 3.42Å; F184-G201 VanDerWaalsContact CG-C 3.5Å; F184-G201 WeakPolarHBondContact CG-O 2.97Å; F184-Y202 HydrophobicContact CB-CD1 4.05Å; F184-Y202 HydrophobicContact CB-CG 4.43Å
185	C	85.7	Confident	82.4	Confident	21 Å²	21	54.2 Å²	54.2	14%	0.142	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.4	175.7	-70.2	0	0	0	0	114.3	D183 T187 H188 C195 L196 N197	D183-C185 PolarHBondContact O-N 2.77Å; D183-C185 WeakPolarHBondContact OD1-CA 3.01Å; D183-C185 WeakPolarHBondContact OD1-CB 3.48Å; D183-C185 PolarHBondContact OD1-N 2.92Å; C185-T187 PolarHBondContact O-N 1.99Å; C185-T187 VanDerWaalsContact O-N 3.13Å; C185-H188 PolarHBondContact O-CD2 3.11Å; C185-H188 PolarHBondContact O-N 3.24Å; C185-C195 WeakPolarHBondContact CA-SG 3.41Å; C185-C195 HydrophobicContact CB-CB 3.79Å; C185-C195 WeakPolarHBondContact CB-SG 3.3Å; C185-C195 WeakPolarHBondContact SG-CB 3.44Å; C185-C195 PolarHBondContact SG-O 3.31Å; C185-C195 CovalentContact SG-SG 2.05Å; C185-C195 PolarHBondContact SG-SG 3.45Å; C185-L196 VanDerWaalsContact SG-C 3.55Å; C185-L196 PolarHBondContact SG-N 2.86Å; C185-L196 VanDerWaalsContact SG-N 3.44Å; C185-N197 PolarHBondContact N-OD1 3.03Å
186	A	83.5	Confident	82.7	Confident	30 Å²	30	52.7 Å²	52.7	25%	0.248	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.6	179.2	0	0	0	0	0	113.7	L172 D183	L172-A186 HydrophobicContact CD1-CB 4.12Å; L172-A186 HydrophobicContact CG-CB 4.34Å; D183-A186 HydrophobicContact CB-CB 4.17Å; D183-A186 PolarHBondContact O-N 3.36Å; D183-A186 PolarHBondContact OD1-N 3.39Å
187	T	84.7	Confident	83.3	Confident	120 Å²	120	52.6 Å²	52.6	74%	0.736	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	45.9	177.4	62.5	0	0	0	0	110.9	C185	C185-T187 PolarHBondContact O-N 1.99Å; C185-T187 VanDerWaalsContact O-N 3.13Å
188	H	87.8	Confident	84	Confident	76 Å²	76	52.7 Å²	52.7	35%	0.352	27%	0.267	S	S	.	.			trans	-68.6	158.3	-179.1	68.7	72.1	0	0	0	112.6	C185 C190 C195 Y202	C185-H188 PolarHBondContact O-CD2 3.11Å; C185-H188 PolarHBondContact O-N 3.24Å; H188-C190 PolarHBondContact ND1-N 3.34Å; H188-C195 HydrophobicContact CB-CB 3.81Å; H188-C195 WeakPolarHBondContact CB-SG 3.2Å; H188-C195 WeakPolarHBondContact CD2-CB 3.16Å; H188-C195 VanDerWaalsContact CG-CB 3.5Å; H188-Y202 HydrophobicContact CB-CD2 4.03Å; H188-Y202 HydrophobicContact CB-CE2 3.83Å
189	Q	91.4	Very high	83.8	Confident	131 Å²	131	58.1 Å²	58.1	61%	0.612	29%	0.291	S	S	*	.			trans	-105.5	9.1	176.1	-58.8	176.3	-53.3	0	0	113.1	Q191 Y202 L214	Q189-Q191 PolarHBondContact O-N 2.61Å; Q189-Q191 VanDerWaalsContact O-N 3.11Å; Q189-Y202 WeakPolarHBondContact CB-OH 3.44Å; Q189-Y202 PolarHBondContact N-OH 3.4Å; Q189-Y202 VanDerWaalsContact N-OH 3.09Å; Q189-L214 HydrophobicContact CB-CD1 3.99Å; Q189-L214 HydrophobicContact CB-CD2 3.97Å
190	C	87.4	Confident	83.7	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.074	33%	0.33	C	S	.	.			trans	-56.5	116.5	173.6	-49.5	0	0	0	0	110.2	H188 C204 L214	H188-C190 PolarHBondContact ND1-N 3.34Å; C190-C204 WeakPolarHBondContact CA-SG 3.46Å; C190-C204 HydrophobicContact CB-CB 3.72Å; C190-C204 WeakPolarHBondContact CB-SG 3.19Å; C190-C204 VanDerWaalsContact SG-CA 3.6Å; C190-C204 WeakPolarHBondContact SG-CB 3.16Å; C190-C204 CovalentContact SG-SG 2.02Å; C190-C204 PolarHBondContact SG-SG 2.98Å; C190-L214 CarbonylContact C-O 3.27Å; C190-L214 WeakPolarHBondContact CA-O 3.3Å
191	Q	86.7	Confident	83.7	Confident	116 Å²	116	63.2 Å²	63.2	54%	0.542	32%	0.322	S	S	.	.	S	Bend	trans	-85	-53.8	-176.2	-167.8	175.4	-3	0	0	111.3	Q189 L214	Q189-Q191 PolarHBondContact O-N 2.61Å; Q189-Q191 VanDerWaalsContact O-N 3.11Å; Q191-L214 PolarHBondContact N-O 2.84Å
192	Y	81.5	Confident	83.9	Confident	99 Å²	99	62.9 Å²	62.9	39%	0.388	32%	0.319	S	S	.	.	S	Bend	trans	-125.1	70.5	178.6	-58	-72.1	0	0	0	110.7	C206 D207 F210 C215	Y192-C206 CarbonylContact O-C 3.37Å; Y192-C206 WeakPolarHBondContact O-CA 3.18Å; Y192-D207 VanDerWaalsContact C-OD2 3.24Å; Y192-D207 PolarHBondContact O-N 3.17Å; Y192-F210 VanDerWaalsContact CB-CG 3.5Å; Y192-F210 HydrophobicContact CD1-CE1 4.23Å; Y192-F210 HydrophobicContact CD1-CE2 4.25Å; Y192-F210 AromaticContact CD1-CZ 3.98Å; Y192-F210 HydrophobicContact CD1-CZ 3.98Å; Y192-F210 AromaticContact CD2-CD1 3.32Å; Y192-F210 HydrophobicContact CD2-CD1 3.32Å; Y192-F210 AromaticContact CD2-CE1 3.23Å; Y192-F210 HydrophobicContact CD2-CE1 3.23Å; Y192-F210 HydrophobicContact CD2-CE2 4.46Å; Y192-F210 HydrophobicContact CD2-CG 4.01Å; Y192-F210 AromaticContact CD2-CZ 3.84Å; Y192-F210 HydrophobicContact CD2-CZ 3.84Å; Y192-F210 HydrophobicContact CE1-CE1 4.5Å; Y192-F210 HydrophobicContact CE1-CZ 4.3Å; Y192-F210 HydrophobicContact CE2-CD1 4.06Å; Y192-F210 AromaticContact CE2-CE1 3.55Å; Y192-F210 HydrophobicContact CE2-CE1 3.55Å; Y192-F210 HydrophobicContact CE2-CZ 4.15Å; Y192-F210 AromaticContact CG-CD1 3.71Å; Y192-F210 HydrophobicContact CG-CD1 3.71Å; Y192-F210 HydrophobicContact CG-CD2 4.08Å; Y192-F210 AromaticContact CG-CE1 3.6Å; Y192-F210 HydrophobicContact CG-CE1 3.6Å; Y192-F210 AromaticContact CG-CE2 3.98Å; Y192-F210 HydrophobicContact CG-CE2 3.98Å; Y192-F210 AromaticContact CG-CG 3.94Å; Y192-F210 HydrophobicContact CG-CG 3.94Å; Y192-F210 AromaticContact CG-CZ 3.74Å; Y192-F210 HydrophobicContact CG-CZ 3.74Å; Y192-C215 WeakPolarHBondContact CD2-O 3.33Å; Y192-C215 PolarHBondContact N-O 3.37Å; Y192-C215 WeakPolarHBondContact O-CB 3.43Å
193	G	76.7	Confident	84.1	Confident	11 Å²	11	60.3 Å²	60.3	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-179.6	-178.7	0	0	0	0	0	113.6	D205 D207 K450	G193-D205 CarbonylContact C-O 3.57Å; G193-D205 WeakPolarHBondContact CA-O 3.32Å; G193-D207 PolarHBondContact N-OD2 3.48Å; G193-K450 PolarHBondContact O-NZ 2.91Å
194	L	78.2	Confident	84.2	Confident	23 Å²	23	59.8 Å²	59.8	12%	0.12	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.2	171.8	-179	67.8	0	0	0	110	L196 C204 D205 T470 H472	L194-L196 HydrophobicContact CD2-CD2 3.86Å; L194-L196 HydrophobicContact CG-CD2 4.24Å; L194-C204 CarbonylContact O-C 3.46Å; L194-C204 WeakPolarHBondContact O-CA 3.4Å; L194-D205 HydrophobicContact CB-CB 4.47Å; L194-D205 PolarHBondContact N-O 3.43Å; L194-D205 PolarHBondContact O-N 2.84Å; L194-T470 HydrophobicContact CD1-CG2 3.76Å; L194-T470 HydrophobicContact CD2-CG2 3.84Å; L194-T470 HydrophobicContact CG-CG2 4.38Å; L194-H472 HydrophobicContact CD2-CB 4.05Å
195	C	84.8	Confident	83.8	Confident	11 Å²	11	58.1 Å²	58.1	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134	170.6	-177	0	0	0	0	111.6	C185 H188 Y202	C185-C195 WeakPolarHBondContact CA-SG 3.41Å; C185-C195 HydrophobicContact CB-CB 3.79Å; C185-C195 WeakPolarHBondContact CB-SG 3.3Å; C185-C195 WeakPolarHBondContact SG-CB 3.44Å; C185-C195 PolarHBondContact SG-O 3.31Å; C185-C195 CovalentContact SG-SG 2.05Å; C185-C195 PolarHBondContact SG-SG 3.45Å; H188-C195 HydrophobicContact CB-CB 3.81Å; H188-C195 WeakPolarHBondContact CB-SG 3.2Å; H188-C195 WeakPolarHBondContact CD2-CB 3.16Å; H188-C195 VanDerWaalsContact CG-CB 3.5Å; C195-Y202 VanDerWaalsContact SG-CB 3.53Å; C195-Y202 VanDerWaalsContact SG-CD2 3.54Å
196	L	82.1	Confident	83.4	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.3	179.5	-56.3	162.9	0	0	0	108.9	C185 L194 Y202 T203 D205 Q485 Y495	C185-L196 VanDerWaalsContact SG-C 3.55Å; C185-L196 PolarHBondContact SG-N 2.86Å; C185-L196 VanDerWaalsContact SG-N 3.44Å; L194-L196 HydrophobicContact CD2-CD2 3.86Å; L194-L196 HydrophobicContact CG-CD2 4.24Å; L196-Y202 CarbonylContact O-C 3.49Å; L196-Y202 WeakPolarHBondContact O-CA 3.28Å; L196-Y202 WeakPolarHBondContact O-CB 3.45Å; L196-T203 PolarHBondContact N-O 3.21Å; L196-T203 PolarHBondContact O-N 3.24Å; L196-D205 HydrophobicContact CD1-CB 3.9Å; L196-Q485 VanDerWaalsContact CA-OE1 3.31Å; L196-Q485 HydrophobicContact CD2-CB 4.1Å; L196-Y495 HydrophobicContact CD1-CD2 3.83Å; L196-Y495 HydrophobicContact CD1-CE2 3.11Å; L196-Y495 HydrophobicContact CD2-CD2 3.91Å; L196-Y495 HydrophobicContact CD2-CE2 3.7Å; L196-Y495 HydrophobicContact CG-CD2 4.33Å; L196-Y495 HydrophobicContact CG-CE2 3.96Å
197	N	80.4	Confident	82.8	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	139.1	177.5	-88.5	-61.2	0	0	0	110.5	D183 F184 C185 Q485 F493	D183-N197 PolarHBondContact OD1-ND2 2.95Å; D183-N197 PolarHBondContact OD1-OD1 3.32Å; F184-N197 WeakPolarHBondContact CA-OD1 3.45Å; F184-N197 WeakPolarHBondContact CB-OD1 3.21Å; F184-N197 PolarHBondContact N-OD1 2.98Å; C185-N197 PolarHBondContact N-OD1 3.03Å; N197-Q485 VanDerWaalsContact N-OE1 3.14Å; N197-F493 WeakPolarHBondContact O-CD2 3Å; N197-F493 WeakPolarHBondContact O-CE2 3.31Å; N197-F493 WeakPolarHBondContact O-CZ 2.99Å
198	N	80.6	Confident	81.9	Confident	54 Å²	54	53.8 Å²	53.8	29%	0.289	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	167.9	173.7	-66	-43.5	0	0	0	110.1	N200 G201 T203 F493	N198-N200 PolarHBondContact O-N 2.75Å; N198-N200 VanDerWaalsContact O-N 3.15Å; N198-G201 WeakPolarHBondContact CA-O 3.02Å; N198-G201 PolarHBondContact N-O 3.14Å; N198-G201 PolarHBondContact O-N 2.87Å; N198-G201 VanDerWaalsContact O-O 3.1Å; N198-T203 WeakPolarHBondContact ND2-CG2 3.21Å; N198-T203 PolarHBondContact ND2-N 2.89Å; N198-T203 PolarHBondContact ND2-OG1 3.1Å; N198-F493 VanDerWaalsContact CA-CZ 3.48Å
199	E	78.4	Confident	81	Confident	167 Å²	167	51.1 Å²	51.1	78%	0.78	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33	-175.9	-66.1	-174.3	164.3	0	0	112.9	F493	E199-F493 HydrophobicContact CG-CZ 4.17Å
200	N	80.6	Confident	80.3	Confident	154 Å²	154	47.1 Å²	47.1	82%	0.824	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	16.5	-175.9	-65.6	-37.5	0	0	0	113.6	N198	N198-N200 PolarHBondContact O-N 2.75Å; N198-N200 VanDerWaalsContact O-N 3.15Å
201	G	86.8	Confident	79.7	Confident	16 Å²	16	46.7 Å²	46.7	17%	0.165	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-150.3	-175.2	0	0	0	0	0	113.9	F184 N198	F184-G201 WeakPolarHBondContact CB-O 3.39Å; F184-G201 WeakPolarHBondContact CD2-O 3.42Å; F184-G201 VanDerWaalsContact CG-C 3.5Å; F184-G201 WeakPolarHBondContact CG-O 2.97Å; N198-G201 WeakPolarHBondContact CA-O 3.02Å; N198-G201 PolarHBondContact N-O 3.14Å; N198-G201 PolarHBondContact O-N 2.87Å; N198-G201 VanDerWaalsContact O-O 3.1Å
202	Y	87.8	Confident	79.2	Confident	61 Å²	61	43 Å²	43	24%	0.239	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.3	172.1	69.8	-82.3	0	0	0	111	F184 H188 Q189 C195 L196 L214	F184-Y202 HydrophobicContact CB-CD1 4.05Å; F184-Y202 HydrophobicContact CB-CG 4.43Å; H188-Y202 HydrophobicContact CB-CD2 4.03Å; H188-Y202 HydrophobicContact CB-CE2 3.83Å; Q189-Y202 WeakPolarHBondContact CB-OH 3.44Å; Q189-Y202 PolarHBondContact N-OH 3.4Å; Q189-Y202 VanDerWaalsContact N-OH 3.09Å; C195-Y202 VanDerWaalsContact SG-CB 3.53Å; C195-Y202 VanDerWaalsContact SG-CD2 3.54Å; L196-Y202 CarbonylContact O-C 3.49Å; L196-Y202 WeakPolarHBondContact O-CA 3.28Å; L196-Y202 WeakPolarHBondContact O-CB 3.45Å; Y202-L214 HydrophobicContact CE2-CD2 4.21Å; Y202-L214 WeakPolarHBondContact OH-CD2 3.39Å
203	T	87.8	Confident	79.4	Confident	67 Å²	67	47 Å²	47	41%	0.411	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.2	170.5	41	0	0	0	0	109.3	L196 N198	L196-T203 PolarHBondContact N-O 3.21Å; L196-T203 PolarHBondContact O-N 3.24Å; N198-T203 WeakPolarHBondContact ND2-CG2 3.21Å; N198-T203 PolarHBondContact ND2-N 2.89Å; N198-T203 PolarHBondContact ND2-OG1 3.1Å
204	C	86.9	Confident	79.9	Confident	20 Å²	20	48.8 Å²	48.8	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.7	175.9	-53.7	0	0	0	0	110.6	C190 L194 E213 C215	C190-C204 WeakPolarHBondContact CA-SG 3.46Å; C190-C204 HydrophobicContact CB-CB 3.72Å; C190-C204 WeakPolarHBondContact CB-SG 3.19Å; C190-C204 VanDerWaalsContact SG-CA 3.6Å; C190-C204 WeakPolarHBondContact SG-CB 3.16Å; C190-C204 CovalentContact SG-SG 2.02Å; C190-C204 PolarHBondContact SG-SG 2.98Å; L194-C204 CarbonylContact O-C 3.46Å; L194-C204 WeakPolarHBondContact O-CA 3.4Å; C204-E213 PolarHBondContact SG-O 3.04Å; C204-E213 VanDerWaalsContact SG-O 3.41Å; C204-C215 WeakPolarHBondContact CB-SG 3.47Å
205	D	80.4	Confident	80.3	Confident	17 Å²	17	47.7 Å²	47.7	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	100.5	165.6	-177	16.9	0	0	0	108.8	G193 L194 L196 R474 T483	G193-D205 CarbonylContact C-O 3.57Å; G193-D205 WeakPolarHBondContact CA-O 3.32Å; L194-D205 HydrophobicContact CB-CB 4.47Å; L194-D205 PolarHBondContact N-O 3.43Å; L194-D205 PolarHBondContact O-N 2.84Å; L196-D205 HydrophobicContact CD1-CB 3.9Å; D205-R474 IonicContact OD1-CZ 3.02Å; D205-R474 IonicContact OD1-NH1 3.83Å; D205-R474 PolarHBondContact OD1-NH1 2.98Å; D205-R474 IonicContact OD1-NH2 2.8Å; D205-R474 PolarHBondContact OD1-NH2 3.31Å; D205-R474 IonicContact OD2-NH2 3.34Å; D205-T483 WeakPolarHBondContact OD2-CB 3.41Å; D205-T483 VanDerWaalsContact OD2-CG2 3.29Å; D205-T483 WeakPolarHBondContact OD2-CG2 3.24Å; D205-T483 PolarHBondContact OD2-OG1 2.83Å
206	C	77.6	Confident	80.4	Confident	21 Å²	21	51.3 Å²	51.3	14%	0.142	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.7	-169.8	-54	0	0	0	0	112.6	Y192 F210 G212 C215 R474	Y192-C206 CarbonylContact O-C 3.37Å; Y192-C206 WeakPolarHBondContact O-CA 3.18Å; C206-F210 HydrophobicContact CB-CB 4.29Å; C206-G212 PolarHBondContact SG-O 3.33Å; C206-C215 WeakPolarHBondContact CA-SG 3.27Å; C206-C215 HydrophobicContact CB-CB 3.54Å; C206-C215 WeakPolarHBondContact CB-SG 3.42Å; C206-C215 PolarHBondContact N-SG 2.94Å; C206-C215 VanDerWaalsContact N-SG 3.41Å; C206-C215 WeakPolarHBondContact SG-CA 2.92Å; C206-C215 WeakPolarHBondContact SG-CB 3.43Å; C206-C215 CovalentContact SG-SG 2.03Å; C206-C215 PolarHBondContact SG-SG 3.13Å; C206-R474 PolarHBondContact O-NH1 2.57Å
207	D	69.7	Low	80.3	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.118	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-54.5	153.1	173.3	-66.7	-34.9	0	0	0	111.4	Y192 G193 G209 F210 K450 H472	Y192-D207 VanDerWaalsContact C-OD2 3.24Å; Y192-D207 PolarHBondContact O-N 3.17Å; G193-D207 PolarHBondContact N-OD2 3.48Å; D207-G209 PolarHBondContact O-N 3Å; D207-F210 HydrophobicContact CB-CD2 4.09Å; D207-F210 PolarHBondContact O-N 3.04Å; D207-K450 VanDerWaalsContact CG-NZ 3.28Å; D207-K450 WeakPolarHBondContact OD1-CE 3.5Å; D207-K450 IonicContact OD1-NZ 2.7Å; D207-K450 PolarHBondContact OD1-NZ 2.8Å; D207-K450 IonicContact OD2-NZ 3.26Å; D207-K450 PolarHBondContact OD2-NZ 2.02Å; D207-H472 IonicContact OD1-CE1 2.81Å; D207-H472 PolarHBondContact OD1-CE1 3.45Å; D207-H472 IonicContact OD1-NE2 3.46Å
208	P	66.1	Low	80.3	Confident	36 Å²	36	59.3 Å²	59.3	23%	0.234	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	134.2	173.1	-29.1	36.3	0	0	0	112.5	F210 V229 R474	P208-F210 VanDerWaalsContact C-N 3.33Å; P208-F210 WeakPolarHBondContact O-CD2 3.5Å; P208-V229 HydrophobicContact CB-CG1 3.81Å; P208-R474 HydrophobicContact CG-CB 4.2Å; P208-R474 HydrophobicContact CG-CG 4.47Å
209	G	68.7	Low	79.9	Confident	20 Å²	20	56.8 Å²	56.8	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-0.7	-176.6	0	0	0	0	0	115	D207 E218 C219 C230	D207-G209 PolarHBondContact O-N 3Å; G209-E218 CarbonylContact O-C 3.55Å; G209-C219 WeakPolarHBondContact O-CB 3.43Å; G209-C219 PolarHBondContact O-N 3.27Å; G209-C230 WeakPolarHBondContact CA-O 3.19Å; G209-C230 PolarHBondContact N-O 3.05Å; G209-C230 VanDerWaalsContact N-O 3.08Å
210	F	77.5	Confident	79.5	Confident	48 Å²	48	52.3 Å²	52.3	21%	0.211	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.2	177.1	-61.5	-85.6	0	0	0	112.7	Y192 C206 D207 P208 T217 E218	Y192-F210 VanDerWaalsContact CB-CG 3.5Å; Y192-F210 HydrophobicContact CD1-CE1 4.23Å; Y192-F210 HydrophobicContact CD1-CE2 4.25Å; Y192-F210 AromaticContact CD1-CZ 3.98Å; Y192-F210 HydrophobicContact CD1-CZ 3.98Å; Y192-F210 AromaticContact CD2-CD1 3.32Å; Y192-F210 HydrophobicContact CD2-CD1 3.32Å; Y192-F210 AromaticContact CD2-CE1 3.23Å; Y192-F210 HydrophobicContact CD2-CE1 3.23Å; Y192-F210 HydrophobicContact CD2-CE2 4.46Å; Y192-F210 HydrophobicContact CD2-CG 4.01Å; Y192-F210 AromaticContact CD2-CZ 3.84Å; Y192-F210 HydrophobicContact CD2-CZ 3.84Å; Y192-F210 HydrophobicContact CE1-CE1 4.5Å; Y192-F210 HydrophobicContact CE1-CZ 4.3Å; Y192-F210 HydrophobicContact CE2-CD1 4.06Å; Y192-F210 AromaticContact CE2-CE1 3.55Å; Y192-F210 HydrophobicContact CE2-CE1 3.55Å; Y192-F210 HydrophobicContact CE2-CZ 4.15Å; Y192-F210 AromaticContact CG-CD1 3.71Å; Y192-F210 HydrophobicContact CG-CD1 3.71Å; Y192-F210 HydrophobicContact CG-CD2 4.08Å; Y192-F210 AromaticContact CG-CE1 3.6Å; Y192-F210 HydrophobicContact CG-CE1 3.6Å; Y192-F210 AromaticContact CG-CE2 3.98Å; Y192-F210 HydrophobicContact CG-CE2 3.98Å; Y192-F210 AromaticContact CG-CG 3.94Å; Y192-F210 HydrophobicContact CG-CG 3.94Å; Y192-F210 AromaticContact CG-CZ 3.74Å; Y192-F210 HydrophobicContact CG-CZ 3.74Å; C206-F210 HydrophobicContact CB-CB 4.29Å; D207-F210 HydrophobicContact CB-CD2 4.09Å; D207-F210 PolarHBondContact O-N 3.04Å; P208-F210 VanDerWaalsContact C-N 3.33Å; P208-F210 WeakPolarHBondContact O-CD2 3.5Å; F210-T217 CarbonylContact C-O 3.56Å; F210-T217 VanDerWaalsContact CA-O 3.27Å; F210-T217 WeakPolarHBondContact CA-O 3.47Å; F210-E218 HydrophobicContact CD1-CB 4.47Å; F210-E218 HydrophobicContact CE1-CB 4.36Å; F210-E218 HydrophobicContact CE1-CG 4.27Å
211	G	74.2	Confident	78.6	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-170.8	179.1	0	0	0	0	0	113.1	C215 D216 T217	G211-C215 CarbonylContact O-C 3.35Å; G211-C215 WeakPolarHBondContact O-CA 3.46Å; G211-D216 PolarHBondContact O-N 2.78Å; G211-D216 VanDerWaalsContact O-N 3.13Å; G211-T217 PolarHBondContact N-O 2.83Å; G211-T217 VanDerWaalsContact O-CB 3.28Å; G211-T217 WeakPolarHBondContact O-CB 3.15Å; G211-T217 PolarHBondContact O-N 3.09Å
212	G	76.3	Confident	77.6	Confident	38 Å²	38	55.5 Å²	55.5	39%	0.392	32%	0.316	S	S	.	.	S	Bend	trans	91.6	167	-166.6	0	0	0	0	0	111.3	C206 L214 C215	C206-G212 PolarHBondContact SG-O 3.33Å; G212-L214 PolarHBondContact O-N 3.16Å; G212-C215 PolarHBondContact O-N 2.92Å
213	E	85.3	Confident	77.1	Confident	182 Å²	182	55.5 Å²	55.5	85%	0.85	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.5	179.6	-66.6	-172.7	161.7	0	0	112.4	C204	C204-E213 PolarHBondContact SG-O 3.04Å; C204-E213 VanDerWaalsContact SG-O 3.41Å
214	L	88.5	Confident	76.6	Confident	50 Å²	50	53.4 Å²	53.4	26%	0.262	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	8.5	-179.9	-60.2	-177.7	0	0	0	113.3	Q189 C190 Q191 Y202 G212 D216	Q189-L214 HydrophobicContact CB-CD1 3.99Å; Q189-L214 HydrophobicContact CB-CD2 3.97Å; C190-L214 CarbonylContact C-O 3.27Å; C190-L214 WeakPolarHBondContact CA-O 3.3Å; Q191-L214 PolarHBondContact N-O 2.84Å; Y202-L214 HydrophobicContact CE2-CD2 4.21Å; Y202-L214 WeakPolarHBondContact OH-CD2 3.39Å; G212-L214 PolarHBondContact O-N 3.16Å; L214-D216 PolarHBondContact O-N 2.83Å
215	C	85.1	Confident	76.4	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	56.5	38.6	-177.4	-48.2	0	0	0	0	113.5	Y192 C204 C206 G211 G212	Y192-C215 WeakPolarHBondContact CD2-O 3.33Å; Y192-C215 PolarHBondContact N-O 3.37Å; Y192-C215 WeakPolarHBondContact O-CB 3.43Å; C204-C215 WeakPolarHBondContact CB-SG 3.47Å; C206-C215 WeakPolarHBondContact CA-SG 3.27Å; C206-C215 HydrophobicContact CB-CB 3.54Å; C206-C215 WeakPolarHBondContact CB-SG 3.42Å; C206-C215 PolarHBondContact N-SG 2.94Å; C206-C215 VanDerWaalsContact N-SG 3.41Å; C206-C215 WeakPolarHBondContact SG-CA 2.92Å; C206-C215 WeakPolarHBondContact SG-CB 3.43Å; C206-C215 CovalentContact SG-SG 2.03Å; C206-C215 PolarHBondContact SG-SG 3.13Å; G211-C215 CarbonylContact O-C 3.35Å; G211-C215 WeakPolarHBondContact O-CA 3.46Å; G212-C215 PolarHBondContact O-N 2.92Å
216	D	87.3	Confident	76.2	Confident	87 Å²	87	60.2 Å²	60.2	47%	0.465	34%	0.337	S	S	.	.			trans	-100.7	-8.4	-176.8	61.1	-17.6	0	0	0	112.9	G211 L214	G211-D216 PolarHBondContact O-N 2.78Å; G211-D216 VanDerWaalsContact O-N 3.13Å; L214-D216 PolarHBondContact O-N 2.83Å
217	T	81.2	Confident	75.8	Confident	67 Å²	67	66 Å²	66	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118	-177.9	-52.7	0	0	0	0	110.8	F210 G211 I232	F210-T217 CarbonylContact C-O 3.56Å; F210-T217 VanDerWaalsContact CA-O 3.27Å; F210-T217 WeakPolarHBondContact CA-O 3.47Å; G211-T217 PolarHBondContact N-O 2.83Å; G211-T217 VanDerWaalsContact O-CB 3.28Å; G211-T217 WeakPolarHBondContact O-CB 3.15Å; G211-T217 PolarHBondContact O-N 3.09Å; T217-I232 HydrophobicContact CG2-CD1 3.86Å
218	E	79.6	Confident	75.8	Confident	116 Å²	116	65.6 Å²	65.6	54%	0.542	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	143.7	174.8	-164.7	-176.5	163.2	0	0	111.7	G209 F210 N221	G209-E218 CarbonylContact O-C 3.55Å; F210-E218 HydrophobicContact CD1-CB 4.47Å; F210-E218 HydrophobicContact CE1-CB 4.36Å; F210-E218 HydrophobicContact CE1-CG 4.27Å; E218-N221 PolarHBondContact OE1-ND2 2.88Å; E218-N221 VanDerWaalsContact OE1-ND2 3.09Å
219	C	71.8	Confident	75.9	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.014	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-72.8	135.3	173.4	-122.9	0	0	0	0	109.7	G209 N221 C230	G209-C219 WeakPolarHBondContact O-CB 3.43Å; G209-C219 PolarHBondContact O-N 3.27Å; C219-N221 PolarHBondContact O-N 2.95Å; C219-C230 HydrophobicContact CB-CB 3.5Å; C219-C230 WeakPolarHBondContact CB-SG 3.34Å; C219-C230 VanDerWaalsContact SG-C 3.51Å; C219-C230 WeakPolarHBondContact SG-CB 3.5Å; C219-C230 CovalentContact SG-SG 2.03Å; C219-C230 PolarHBondContact SG-SG 2.69Å
220	P	70.5	Confident	76.1	Confident	72 Å²	72	65.3 Å²	65.3	47%	0.468	36%	0.357	S	S	.	.			trans	-62.8	113.9	176.5	22.2	-29.3	0	0	0	110.2	S222 L223	P220-S222 PolarHBondContact O-N 3.23Å; P220-L223 PolarHBondContact O-N 2.9Å
221	N	62.3	Low	75.7	Confident	145 Å²	145	64.8 Å²	64.8	78%	0.775	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-1.4	-168.9	-78.2	-42.8	0	0	0	116.9	E218 C219	E218-N221 PolarHBondContact OE1-ND2 2.88Å; E218-N221 VanDerWaalsContact OE1-ND2 3.09Å; C219-N221 PolarHBondContact O-N 2.95Å
222	S	65.2	Low	75.3	Confident	93 Å²	93	66.5 Å²	66.5	65%	0.65	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-6.1	-171.7	64.1	0	0	0	0	115.9	P220	P220-S222 PolarHBondContact O-N 3.23Å
223	L	77.9	Confident	74.7	Confident	60 Å²	60	72.7 Å²	72.7	31%	0.314	38%	0.378	S	S	.	.	S	Bend	trans	-72	-41	-171.7	-172.5	66.6	0	0	0	113.3	P220 P237	P220-L223 PolarHBondContact O-N 2.9Å; L223-P237 HydrophobicContact CD2-CB 3.77Å; L223-P237 HydrophobicContact CD2-CG 4.01Å
224	C	76.6	Confident	73.8	Confident	24 Å²	24	71.6 Å²	71.6	16%	0.162	38%	0.378	C	S	.	.			trans	-100.9	116.2	-170.4	-50.3	0	0	0	0	111.3	G228 C239	C224-G228 WeakPolarHBondContact CB-O 3.48Å; C224-C239 WeakPolarHBondContact CA-SG 3.44Å; C224-C239 HydrophobicContact CB-CB 3.75Å; C224-C239 WeakPolarHBondContact CB-SG 3.36Å; C224-C239 WeakPolarHBondContact SG-CA 3.4Å; C224-C239 WeakPolarHBondContact SG-CB 3.47Å; C224-C239 CovalentContact SG-SG 2.03Å; C224-C239 PolarHBondContact SG-SG 2.98Å
225	K	82	Confident	72.7	Confident	115 Å²	115	72.5 Å²	72.5	50%	0.5	40%	0.399	S	S	.	.			trans	-83.4	169	176	-57.8	-59.4	-177	-170.6	0	110.7	E227 G228 T249 C250	K225-E227 PolarHBondContact O-N 3.21Å; K225-G228 PolarHBondContact O-N 2.57Å; K225-T249 WeakPolarHBondContact CB-O 3.03Å; K225-T249 PolarHBondContact N-O 3.38Å; K225-C250 WeakPolarHBondContact O-CB 3.03Å
226	N	76.3	Confident	72	Confident	65 Å²	65	79.9 Å²	79.9	35%	0.348	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	50.3	170.2	-56.4	-42.7	0	0	0	114.1	G228 Y245 C250	N226-G228 PolarHBondContact O-N 2.78Å; N226-Y245 HydrophobicContact CB-CD1 3.58Å; N226-Y245 HydrophobicContact CB-CD2 3.79Å; N226-Y245 HydrophobicContact CB-CE1 3.57Å; N226-Y245 HydrophobicContact CB-CE2 3.77Å; N226-Y245 HydrophobicContact CB-CG 3.69Å; N226-Y245 VanDerWaalsContact ND2-CD1 3.3Å; N226-Y245 WeakPolarHBondContact ND2-CD1 3.44Å; N226-Y245 WeakPolarHBondContact ND2-CE1 3.35Å; N226-C250 PolarHBondContact ND2-O 3.48Å
227	E	70.9	Confident	71.3	Confident	141 Å²	141	78.6 Å²	78.6	66%	0.659	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	24.8	-179.8	-54.4	168.9	-179.1	0	0	113.4	K225 S242	K225-E227 PolarHBondContact O-N 3.21Å; E227-S242 PolarHBondContact O-OG 3.01Å
228	G	69.1	Low	71.1	Confident	15 Å²	15	82.6 Å²	82.6	16%	0.155	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68.1	138	171.3	0	0	0	0	0	111.4	C224 K225 N226 H240	C224-G228 WeakPolarHBondContact CB-O 3.48Å; K225-G228 PolarHBondContact O-N 2.57Å; N226-G228 PolarHBondContact O-N 2.78Å; G228-H240 CarbonylContact C-O 3.54Å; G228-H240 WeakPolarHBondContact CA-O 3.35Å
229	V	68.6	Low	70.9	Confident	33 Å²	33	77.6 Å²	77.6	20%	0.2	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125	177.2	178	0	0	0	0	108.9	P208 V231 H240	P208-V229 HydrophobicContact CB-CG1 3.81Å; V229-V231 HydrophobicContact CG1-CG1 4.23Å; V229-H240 PolarHBondContact N-O 3.03Å; V229-H240 PolarHBondContact O-N 3.47Å
230	C	73.1	Confident	70.9	Confident	16 Å²	16	79.8 Å²	79.8	11%	0.108	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.5	174.3	-169.2	0	0	0	0	109.5	G209 C219	G209-C230 WeakPolarHBondContact CA-O 3.19Å; G209-C230 PolarHBondContact N-O 3.05Å; G209-C230 VanDerWaalsContact N-O 3.08Å; C219-C230 HydrophobicContact CB-CB 3.5Å; C219-C230 WeakPolarHBondContact CB-SG 3.34Å; C219-C230 VanDerWaalsContact SG-C 3.51Å; C219-C230 WeakPolarHBondContact SG-CB 3.5Å; C219-C230 CovalentContact SG-SG 2.03Å; C219-C230 PolarHBondContact SG-SG 2.69Å
231	V	68.4	Low	70.9	Confident	38 Å²	38	77.3 Å²	77.3	23%	0.23	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	173.8	-64.7	0	0	0	0	109.2	V229 R238	V229-V231 HydrophobicContact CG1-CG1 4.23Å; V231-R238 WeakPolarHBondContact CG2-O 3.45Å; V231-R238 PolarHBondContact N-O 2.8Å; V231-R238 PolarHBondContact O-N 3.03Å; V231-R238 VanDerWaalsContact O-O 3.13Å
232	I	65.2	Low	70.9	Confident	37 Å²	37	71 Å²	71	19%	0.19	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.6	175.6	-58.5	-174.1	0	0	0	108.4	T217 K236	T217-I232 HydrophobicContact CG2-CD1 3.86Å; I232-K236 WeakPolarHBondContact CA-O 3.37Å
233	R	64.5	Low	70.4	Confident	169 Å²	169	67.7 Å²	67.7	64%	0.638	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	124	176.2	-164.3	174.9	-176.9	174.9	2	109.5	G235 K236	R233-G235 VanDerWaalsContact C-N 3.25Å; R233-G235 PolarHBondContact O-N 3.3Å; R233-K236 PolarHBondContact N-O 3.05Å; R233-K236 PolarHBondContact O-N 3.4Å; R233-K236 VanDerWaalsContact O-N 3.07Å
234	N	66.7	Low	69.5	Low	159 Å²	159	65.4 Å²	65.4	85%	0.85	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	41.1	-175.4	-56.2	-12.9	0	0	0	112.7	K236	N234-K236 PolarHBondContact O-N 2.86Å
235	G	64.9	Low	69.4	Low	68 Å²	68	67.2 Å²	67.2	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	6	-178.4	0	0	0	0	0	115.3	R233	R233-G235 VanDerWaalsContact C-N 3.25Å; R233-G235 PolarHBondContact O-N 3.3Å
236	K	71	Confident	69	Low	156 Å²	156	65 Å²	65	68%	0.678	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.6	176	-65.7	-174	-179.4	-177	0	110.9	I232 R233 N234 R238	I232-K236 WeakPolarHBondContact CA-O 3.37Å; R233-K236 PolarHBondContact N-O 3.05Å; R233-K236 PolarHBondContact O-N 3.4Å; R233-K236 VanDerWaalsContact O-N 3.07Å; N234-K236 PolarHBondContact O-N 2.86Å; K236-R238 PolarHBondContact O-N 3.49Å
237	P	72.5	Confident	69.1	Low	59 Å²	59	63.2 Å²	63.2	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.3	173.5	30.2	-33.8	0	0	0	109.4	L223	L223-P237 HydrophobicContact CD2-CB 3.77Å; L223-P237 HydrophobicContact CD2-CG 4.01Å
238	R	76.3	Confident	69.7	Low	152 Å²	152	63.4 Å²	63.4	57%	0.574	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.7	175.6	-175.2	175.2	-178.2	171	1	108.5	V231 K236	V231-R238 WeakPolarHBondContact CG2-O 3.45Å; V231-R238 PolarHBondContact N-O 2.8Å; V231-R238 PolarHBondContact O-N 3.03Å; V231-R238 VanDerWaalsContact O-O 3.13Å; K236-R238 PolarHBondContact O-N 3.49Å
239	C	76.4	Confident	70.4	Confident	11 Å²	11	65.5 Å²	65.5	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.3	174.9	-61.9	0	0	0	0	111.4	C224 D248 C250	C224-C239 WeakPolarHBondContact CA-SG 3.44Å; C224-C239 HydrophobicContact CB-CB 3.75Å; C224-C239 WeakPolarHBondContact CB-SG 3.36Å; C224-C239 WeakPolarHBondContact SG-CA 3.4Å; C224-C239 WeakPolarHBondContact SG-CB 3.47Å; C224-C239 CovalentContact SG-SG 2.03Å; C224-C239 PolarHBondContact SG-SG 2.98Å; C239-D248 VanDerWaalsContact CB-O 3.3Å; C239-D248 WeakPolarHBondContact CB-O 3.4Å; C239-D248 PolarHBondContact SG-O 3.02Å; C239-C250 WeakPolarHBondContact CB-SG 3.46Å
240	H	70.7	Confident	71.1	Confident	47 Å²	47	63.9 Å²	63.9	22%	0.218	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.1	166.3	-169.3	81.1	0	0	0	108.3	G228 V229 S476 G477 Y479	G228-H240 CarbonylContact C-O 3.54Å; G228-H240 WeakPolarHBondContact CA-O 3.35Å; V229-H240 PolarHBondContact N-O 3.03Å; V229-H240 PolarHBondContact O-N 3.47Å; H240-S476 PolarHBondContact CD2-O 3.41Å; H240-S476 PolarHBondContact NE2-O 2.8Å; H240-G477 VanDerWaalsContact CD2-CA 3.43Å; H240-G477 WeakPolarHBondContact CD2-CA 3.34Å; H240-G477 PolarHBondContact CD2-N 2.02Å; H240-G477 VanDerWaalsContact CD2-N 3.29Å; H240-Y479 AromaticContact CE1-CD2 3.27Å; H240-Y479 WeakPolarHBondContact CE1-CD2 2.99Å; H240-Y479 AromaticContact CE1-CE2 3.47Å; H240-Y479 VanDerWaalsContact CE1-CE2 3.47Å; H240-Y479 WeakPolarHBondContact CE1-CE2 3.11Å; H240-Y479 AromaticContact NE2-CD2 3.23Å; H240-Y479 WeakPolarHBondContact NE2-CD2 2.96Å; H240-Y479 AromaticContact NE2-CE2 3.68Å
241	C	69.8	Low	71.7	Confident	20 Å²	20	65.9 Å²	65.9	14%	0.135	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-78.5	138.9	-168.1	-55.5	0	0	0	0	113.1	Y245 G247 C250 S478	C241-Y245 WeakPolarHBondContact CB-O 3.16Å; C241-G247 PolarHBondContact SG-O 3.24Å; C241-G247 VanDerWaalsContact SG-O 3.38Å; C241-C250 WeakPolarHBondContact CA-SG 2.96Å; C241-C250 HydrophobicContact CB-CB 3.64Å; C241-C250 WeakPolarHBondContact CB-SG 3.34Å; C241-C250 WeakPolarHBondContact SG-CA 3.38Å; C241-C250 WeakPolarHBondContact SG-CB 3.04Å; C241-C250 CovalentContact SG-SG 2.04Å; C241-C250 PolarHBondContact SG-SG 3.25Å; C241-S478 PolarHBondContact O-N 3.41Å
242	S	63.4	Low	72.3	Confident	13 Å²	13	68.8 Å²	68.8	9%	0.091	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-61	152.2	169.1	-87.2	0	0	0	0	111.4	E227 G244 Y245	E227-S242 PolarHBondContact O-OG 3.01Å; S242-G244 PolarHBondContact O-N 3.18Å; S242-Y245 PolarHBondContact O-N 3.4Å
243	A	55.3	Low	72.8	Confident	23 Å²	23	74.2 Å²	74.2	19%	0.19	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.2	-177.3	0	0	0	0	0	111.1	R273	A243-R273 HydrophobicContact CB-CG 3.9Å
244	G	59.3	Low	73.3	Confident	13 Å²	13	69.4 Å²	69.4	13%	0.134	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	4.1	-175.8	0	0	0	0	0	114.7	S242 K253 I254	S242-G244 PolarHBondContact O-N 3.18Å; G244-K253 CarbonylContact O-C 3.56Å; G244-K253 WeakPolarHBondContact O-CA 2.82Å; G244-I254 PolarHBondContact O-N 3.21Å
245	Y	72.6	Confident	73.9	Confident	61 Å²	61	65.9 Å²	65.9	24%	0.239	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.8	174.4	-58.4	-85.4	0	0	0	112.9	N226 C241 S242 I252 K253 I254	N226-Y245 HydrophobicContact CB-CD1 3.58Å; N226-Y245 HydrophobicContact CB-CD2 3.79Å; N226-Y245 HydrophobicContact CB-CE1 3.57Å; N226-Y245 HydrophobicContact CB-CE2 3.77Å; N226-Y245 HydrophobicContact CB-CG 3.69Å; N226-Y245 VanDerWaalsContact ND2-CD1 3.3Å; N226-Y245 WeakPolarHBondContact ND2-CD1 3.44Å; N226-Y245 WeakPolarHBondContact ND2-CE1 3.35Å; C241-Y245 WeakPolarHBondContact CB-O 3.16Å; S242-Y245 PolarHBondContact O-N 3.4Å; Y245-I252 CarbonylContact C-O 3.39Å; Y245-I252 WeakPolarHBondContact CA-O 3.49Å; Y245-K253 HydrophobicContact CD1-CB 4.26Å; Y245-K253 HydrophobicContact CE1-CB 4.21Å; Y245-K253 HydrophobicContact CE1-CG 4.31Å; Y245-I254 WeakPolarHBondContact O-CD1 3.3Å
246	T	74.6	Confident	74.5	Confident	69 Å²	69	64.5 Å²	64.5	42%	0.423	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	179.1	-179.1	-169.1	0	0	0	0	111.4	C250 A251 I252 I254	T246-C250 CarbonylContact O-C 3.4Å; T246-C250 VanDerWaalsContact O-CA 3.3Å; T246-C250 WeakPolarHBondContact O-CA 3.24Å; T246-A251 PolarHBondContact O-N 2.82Å; T246-I252 HydrophobicContact CG2-CB 3.65Å; T246-I252 HydrophobicContact CG2-CD1 4.45Å; T246-I252 HydrophobicContact CG2-CG2 3.65Å; T246-I252 PolarHBondContact N-O 2.83Å; T246-I252 WeakPolarHBondContact O-CB 3.41Å; T246-I252 PolarHBondContact O-N 3.39Å; T246-I252 VanDerWaalsContact O-N 3.07Å; T246-I254 HydrophobicContact CG2-CG1 4.09Å
247	G	79.3	Confident	75.3	Confident	27 Å²	27	58.2 Å²	58.2	28%	0.278	32%	0.317	S	S	.	.	S	Bend	trans	89.5	163.9	-174	0	0	0	0	0	113.5	C241 T249 C250	C241-G247 PolarHBondContact SG-O 3.24Å; C241-G247 VanDerWaalsContact SG-O 3.38Å; G247-T249 PolarHBondContact O-N 3.44Å; G247-T249 VanDerWaalsContact O-N 3.12Å; G247-C250 PolarHBondContact O-N 3.41Å
248	D	81.8	Confident	75.9	Confident	146 Å²	146	61.5 Å²	61.5	78%	0.781	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24	-174.6	-67.9	-31.7	0	0	0	114.1	C239	C239-D248 VanDerWaalsContact CB-O 3.3Å; C239-D248 WeakPolarHBondContact CB-O 3.4Å; C239-D248 PolarHBondContact SG-O 3.02Å
249	T	84	Confident	76.4	Confident	58 Å²	58	59.5 Å²	59.5	36%	0.356	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	7.4	178.6	57.8	0	0	0	0	112.8	K225 G247 A251	K225-T249 WeakPolarHBondContact CB-O 3.03Å; K225-T249 PolarHBondContact N-O 3.38Å; G247-T249 PolarHBondContact O-N 3.44Å; G247-T249 VanDerWaalsContact O-N 3.12Å; T249-A251 PolarHBondContact O-N 3.31Å
250	C	82.8	Confident	76.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	60.6	22.2	-176.7	-48.8	0	0	0	0	114.9	K225 N226 C239 C241 T246 G247 I252	K225-C250 WeakPolarHBondContact O-CB 3.03Å; N226-C250 PolarHBondContact ND2-O 3.48Å; C239-C250 WeakPolarHBondContact CB-SG 3.46Å; C241-C250 WeakPolarHBondContact CA-SG 2.96Å; C241-C250 HydrophobicContact CB-CB 3.64Å; C241-C250 WeakPolarHBondContact CB-SG 3.34Å; C241-C250 WeakPolarHBondContact SG-CA 3.38Å; C241-C250 WeakPolarHBondContact SG-CB 3.04Å; C241-C250 CovalentContact SG-SG 2.04Å; C241-C250 PolarHBondContact SG-SG 3.25Å; T246-C250 CarbonylContact O-C 3.4Å; T246-C250 VanDerWaalsContact O-CA 3.3Å; T246-C250 WeakPolarHBondContact O-CA 3.24Å; G247-C250 PolarHBondContact O-N 3.41Å; C250-I252 VanDerWaalsContact C-N 3.35Å
251	A	85.9	Confident	77.7	Confident	58 Å²	58	62.6 Å²	62.6	48%	0.479	36%	0.357	S	S	.	.			trans	-77.2	-18.5	-178.2	0	0	0	0	0	113.8	T246 T249	T246-A251 PolarHBondContact O-N 2.82Å; T249-A251 PolarHBondContact O-N 3.31Å
252	I	81.6	Confident	78.6	Confident	99 Å²	99	62.1 Å²	62.1	51%	0.508	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.4	-172.5	-53.7	172.2	0	0	0	108.9	Y245 T246 C250	Y245-I252 CarbonylContact C-O 3.39Å; Y245-I252 WeakPolarHBondContact CA-O 3.49Å; T246-I252 HydrophobicContact CG2-CB 3.65Å; T246-I252 HydrophobicContact CG2-CD1 4.45Å; T246-I252 HydrophobicContact CG2-CG2 3.65Å; T246-I252 PolarHBondContact N-O 2.83Å; T246-I252 WeakPolarHBondContact O-CB 3.41Å; T246-I252 PolarHBondContact O-N 3.39Å; T246-I252 VanDerWaalsContact O-N 3.07Å; C250-I252 VanDerWaalsContact C-N 3.35Å
253	K	76.5	Confident	79.9	Confident	150 Å²	150	66 Å²	66	65%	0.652	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	131.9	173.3	-171.4	178.8	178.1	-176.9	0	110.2	G244 Y245	G244-K253 CarbonylContact O-C 3.56Å; G244-K253 WeakPolarHBondContact O-CA 2.82Å; Y245-K253 HydrophobicContact CD1-CB 4.26Å; Y245-K253 HydrophobicContact CE1-CB 4.21Å; Y245-K253 HydrophobicContact CE1-CG 4.31Å
254	I	73.5	Confident	81.7	Confident	68 Å²	68	67.9 Å²	67.9	35%	0.349	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75.9	131.7	174.5	-62.5	173.1	0	0	0	108.5	G244 Y245 T246 Q256	G244-I254 PolarHBondContact O-N 3.21Å; Y245-I254 WeakPolarHBondContact O-CD1 3.3Å; T246-I254 HydrophobicContact CG2-CG1 4.09Å; I254-Q256 PolarHBondContact O-NE2 3.12Å; I254-Q256 PolarHBondContact O-OE1 3.32Å
255	D	80.5	Confident	83.2	Confident	85 Å²	85	76.7 Å²	76.7	46%	0.455	42%	0.415	S	S	.	.			trans	-94.5	106.3	168.1	-167.8	-2.4	0	0	0	110.9	C257 D258 N270	D255-C257 PolarHBondContact O-N 2.84Å; D255-C257 PolarHBondContact OD1-N 3.2Å; D255-D258 HydrophobicContact CB-CB 4.29Å; D255-D258 PolarHBondContact O-N 3.4Å; D255-D258 VanDerWaalsContact O-N 3.13Å; D255-N270 WeakPolarHBondContact CA-ND2 3.11Å; D255-N270 PolarHBondContact OD1-ND2 2.94Å
256	Q	77.5	Confident	84	Confident	40 Å²	40	74 Å²	74	19%	0.187	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.9	-178.7	-65.8	72	13.4	0	0	112.4	I254 N270 S274 F275	I254-Q256 PolarHBondContact O-NE2 3.12Å; I254-Q256 PolarHBondContact O-OE1 3.32Å; Q256-N270 PolarHBondContact N-ND2 3Å; Q256-N270 PolarHBondContact OE1-ND2 3.39Å; Q256-N270 PolarHBondContact OE1-OD1 3.34Å; Q256-S274 WeakPolarHBondContact CB-O 3.49Å; Q256-F275 HydrophobicContact CB-CB 4.17Å
257	C	86.9	Confident	84.8	Confident	23 Å²	23	75.5 Å²	75.5	16%	0.155	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.5	172.2	-70.3	0	0	0	0	113.4	D255 P259 N260 C268 K269 N270	D255-C257 PolarHBondContact O-N 2.84Å; D255-C257 PolarHBondContact OD1-N 3.2Å; C257-P259 CarbonylContact O-C 3.56Å; C257-N260 WeakPolarHBondContact O-CA 3.35Å; C257-N260 PolarHBondContact O-N 3.27Å; C257-C268 WeakPolarHBondContact CA-SG 3.45Å; C257-C268 HydrophobicContact CB-CB 3.82Å; C257-C268 WeakPolarHBondContact CB-SG 3.3Å; C257-C268 VanDerWaalsContact SG-C 3.55Å; C257-C268 WeakPolarHBondContact SG-CB 3.2Å; C257-C268 CovalentContact SG-SG 2.03Å; C257-C268 PolarHBondContact SG-SG 2.95Å; C257-K269 VanDerWaalsContact SG-C 3.53Å; C257-N270 PolarHBondContact SG-N 3.39Å
258	D	86.3	Confident	85.4	Confident	128 Å²	128	75.4 Å²	75.4	68%	0.684	41%	0.405	S	S	*	.	S	Bend	trans	-121.1	111.2	177	-168.6	18.3	0	0	0	111.7	D255	D255-D258 HydrophobicContact CB-CB 4.29Å; D255-D258 PolarHBondContact O-N 3.4Å; D255-D258 VanDerWaalsContact O-N 3.13Å
259	P	86	Confident	85.5	Confident	111 Å²	111	73.9 Å²	73.9	72%	0.721	39%	0.392	S	S	*	.	S	Bend	cis	-72.1	152.9	-3.3	31.1	-34.9	0	0	0	112	C257 P261	C257-P259 CarbonylContact O-C 3.56Å; P259-P261 WeakPolarHBondContact O-CD 3.45Å
260	N	87.7	Confident	85.2	Confident	91 Å²	91	74 Å²	74	49%	0.487	39%	0.39	S	S	.	.			trans	-58.7	111.7	-176.6	-176.8	-7.5	0	0	0	111.1	C257 C262 C268	C257-N260 WeakPolarHBondContact O-CA 3.35Å; C257-N260 PolarHBondContact O-N 3.27Å; N260-C262 VanDerWaalsContact C-N 3.27Å; N260-C262 PolarHBondContact O-N 2.9Å; N260-C262 VanDerWaalsContact OD1-CB 3.31Å; N260-C262 WeakPolarHBondContact OD1-CB 3.21Å; N260-C262 PolarHBondContact OD1-N 3.12Å; N260-C268 WeakPolarHBondContact OD1-CB 3.49Å
261	P	87.1	Confident	84.3	Confident	31 Å²	31	76.5 Å²	76.5	20%	0.201	41%	0.405	C	S	.	.			trans	-79.5	-7.5	-176.1	32.6	-35.5	0	0	0	113.4	P259 F275 T287	P259-P261 WeakPolarHBondContact O-CD 3.45Å; P261-F275 HydrophobicContact CB-CD1 4.27Å; P261-F275 HydrophobicContact CB-CD2 4.09Å; P261-F275 HydrophobicContact CB-CE1 3.84Å; P261-F275 HydrophobicContact CB-CE2 3.64Å; P261-F275 HydrophobicContact CB-CG 4.38Å; P261-F275 HydrophobicContact CB-CZ 3.5Å; P261-F275 HydrophobicContact CG-CB 4.17Å; P261-F275 HydrophobicContact CG-CD1 3.62Å; P261-F275 HydrophobicContact CG-CD2 3.27Å; P261-F275 HydrophobicContact CG-CE1 3.71Å; P261-F275 HydrophobicContact CG-CE2 3.37Å; P261-F275 HydrophobicContact CG-CG 3.4Å; P261-F275 HydrophobicContact CG-CZ 3.6Å; P261-T287 WeakPolarHBondContact O-CB 3.18Å; P261-T287 WeakPolarHBondContact O-CG2 3.47Å
262	C	88.8	Confident	83	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.074	41%	0.41	C	S	.	.			trans	-86.7	113.8	-176	-52.5	0	0	0	0	111.8	N260 G266 C268 C277	N260-C262 VanDerWaalsContact C-N 3.27Å; N260-C262 PolarHBondContact O-N 2.9Å; N260-C262 VanDerWaalsContact OD1-CB 3.31Å; N260-C262 WeakPolarHBondContact OD1-CB 3.21Å; N260-C262 PolarHBondContact OD1-N 3.12Å; C262-G266 WeakPolarHBondContact CB-O 3.41Å; C262-C268 VanDerWaalsContact SG-CA 3.51Å; C262-C268 VanDerWaalsContact SG-CB 3.51Å; C262-C277 WeakPolarHBondContact CA-SG 3.22Å; C262-C277 HydrophobicContact CB-CB 3.72Å; C262-C277 WeakPolarHBondContact CB-SG 3.36Å; C262-C277 WeakPolarHBondContact SG-CA 3.3Å; C262-C277 WeakPolarHBondContact SG-CB 3.37Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 3.33Å
263	L	91	Very high	82	Confident	93 Å²	93	82 Å²	82	49%	0.487	41%	0.408	S	S	.	.			trans	-79.9	173.3	177	-55	-172.3	0	0	0	111.6	K265 G266 T287 C288 H289	L263-K265 PolarHBondContact O-N 2.83Å; L263-K265 VanDerWaalsContact O-N 3.1Å; L263-G266 PolarHBondContact O-N 2.84Å; L263-T287 WeakPolarHBondContact CB-O 3.21Å; L263-T287 PolarHBondContact N-O 2.89Å; L263-C288 WeakPolarHBondContact O-CB 3.35Å; L263-H289 HydrophobicContact CD1-CB 3.71Å
264	N	91.8	Very high	81.2	Confident	64 Å²	64	77.6 Å²	77.6	34%	0.342	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	35.4	172.5	-61.2	-48.7	0	0	0	114.4	G266 P280 Y283 C288	N264-G266 VanDerWaalsContact C-N 3.32Å; N264-P280 WeakPolarHBondContact O-CG 3.38Å; N264-Y283 HydrophobicContact CB-CD1 3.62Å; N264-Y283 HydrophobicContact CB-CD2 4.13Å; N264-Y283 HydrophobicContact CB-CE1 3.62Å; N264-Y283 HydrophobicContact CB-CE2 4.13Å; N264-Y283 HydrophobicContact CB-CG 3.87Å; N264-Y283 VanDerWaalsContact ND2-CD1 3.27Å; N264-Y283 WeakPolarHBondContact ND2-CD1 3.47Å; N264-Y283 VanDerWaalsContact ND2-CE1 3.31Å; N264-Y283 WeakPolarHBondContact ND2-CE1 3.44Å; N264-C288 PolarHBondContact ND2-O 2.86Å
265	K	91.6	Very high	81.1	Confident	197 Å²	197	77.3 Å²	77.3	86%	0.857	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	26.2	-177.4	-49.4	176.7	179.6	178	0	114.4	L263	L263-K265 PolarHBondContact O-N 2.83Å; L263-K265 VanDerWaalsContact O-N 3.1Å
266	G	89.3	Confident	80.6	Confident	5 Å²	5	77.1 Å²	77.1	5%	0.052	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.1	170.1	0	0	0	0	0	112.1	C262 L263 N264 Q278	C262-G266 WeakPolarHBondContact CB-O 3.41Å; L263-G266 PolarHBondContact O-N 2.84Å; N264-G266 VanDerWaalsContact C-N 3.32Å; G266-Q278 WeakPolarHBondContact CA-O 3.34Å
267	I	91.9	Very high	80.7	Confident	100 Å²	100	76 Å²	76	51%	0.513	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.8	176.4	-61.3	168.9	0	0	0	107.9	Q278	I267-Q278 HydrophobicContact CB-CB 4.29Å; I267-Q278 PolarHBondContact N-O 3.09Å; I267-Q278 PolarHBondContact O-N 3.23Å
268	C	90.8	Very high	80.5	Confident	25 Å²	25	80 Å²	80	17%	0.169	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.3	174.7	-169	0	0	0	0	110.5	C257 N260 C262	C257-C268 WeakPolarHBondContact CA-SG 3.45Å; C257-C268 HydrophobicContact CB-CB 3.82Å; C257-C268 WeakPolarHBondContact CB-SG 3.3Å; C257-C268 VanDerWaalsContact SG-C 3.55Å; C257-C268 WeakPolarHBondContact SG-CB 3.2Å; C257-C268 CovalentContact SG-SG 2.03Å; C257-C268 PolarHBondContact SG-SG 2.95Å; N260-C268 WeakPolarHBondContact OD1-CB 3.49Å; C262-C268 VanDerWaalsContact SG-CA 3.51Å; C262-C268 VanDerWaalsContact SG-CB 3.51Å
269	K	84.5	Confident	80	Confident	115 Å²	115	75.9 Å²	75.9	50%	0.5	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119	166	-69.9	-177.8	179	172.4	0	108.3	C257 V271 F275 V276	C257-K269 VanDerWaalsContact SG-C 3.53Å; K269-V271 PolarHBondContact O-N 3.21Å; K269-F275 WeakPolarHBondContact O-CA 3.44Å; K269-V276 PolarHBondContact N-O 2.01Å; K269-V276 PolarHBondContact O-N 3.19Å
270	N	76.5	Confident	79.8	Confident	59 Å²	59	72.9 Å²	72.9	32%	0.316	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	122.2	170.4	-176.7	-25.7	0	0	0	107.9	D255 Q256 C257	D255-N270 WeakPolarHBondContact CA-ND2 3.11Å; D255-N270 PolarHBondContact OD1-ND2 2.94Å; Q256-N270 PolarHBondContact N-ND2 3Å; Q256-N270 PolarHBondContact OE1-ND2 3.39Å; Q256-N270 PolarHBondContact OE1-OD1 3.34Å; C257-N270 PolarHBondContact SG-N 3.39Å
271	V	64.2	Low	79.1	Confident	53 Å²	53	77 Å²	77	32%	0.321	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	161.5	177.7	-63.7	0	0	0	0	109.4	K269 R273 S274 V276	K269-V271 PolarHBondContact O-N 3.21Å; V271-R273 PolarHBondContact O-N 3.32Å; V271-S274 VanDerWaalsContact CG2-C 3.44Å; V271-S274 WeakPolarHBondContact CG2-O 2.86Å; V271-S274 PolarHBondContact N-O 3.32Å; V271-S274 PolarHBondContact O-N 2.89Å; V271-V276 HydrophobicContact CG1-CB 4.41Å; V271-V276 HydrophobicContact CG1-CG2 3.86Å; V271-V276 HydrophobicContact CG2-CG2 3.9Å
272	Y	58.6	Low	78.3	Confident	150 Å²	150	77 Å²	77	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	113.4	179.7	-173.8	-108.2	0	0	0	110.8	S274	Y272-S274 VanDerWaalsContact C-N 3.32Å; Y272-S274 PolarHBondContact O-N 3.15Å
273	R	61.3	Low	77.7	Confident	122 Å²	122	80.6 Å²	80.6	46%	0.46	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	10.6	-179	-50.9	178.1	-179.7	-170.6	3.1	116.8	A243 V271	A243-R273 HydrophobicContact CB-CG 3.9Å; V271-R273 PolarHBondContact O-N 3.32Å
274	S	58.5	Low	76.2	Confident	59 Å²	59	78 Å²	78	41%	0.413	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-171.8	179.9	-165.7	0	0	0	0	112	Q256 V271 Y272	Q256-S274 WeakPolarHBondContact CB-O 3.49Å; V271-S274 VanDerWaalsContact CG2-C 3.44Å; V271-S274 WeakPolarHBondContact CG2-O 2.86Å; V271-S274 PolarHBondContact N-O 3.32Å; V271-S274 PolarHBondContact O-N 2.89Å; Y272-S274 VanDerWaalsContact C-N 3.32Å; Y272-S274 PolarHBondContact O-N 3.15Å
275	F	73.3	Confident	74.3	Confident	62 Å²	62	76 Å²	76	27%	0.272	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.6	164.6	64.1	-90.8	0	0	0	109.4	Q256 P261 K269 T287	Q256-F275 HydrophobicContact CB-CB 4.17Å; P261-F275 HydrophobicContact CB-CD1 4.27Å; P261-F275 HydrophobicContact CB-CD2 4.09Å; P261-F275 HydrophobicContact CB-CE1 3.84Å; P261-F275 HydrophobicContact CB-CE2 3.64Å; P261-F275 HydrophobicContact CB-CG 4.38Å; P261-F275 HydrophobicContact CB-CZ 3.5Å; P261-F275 HydrophobicContact CG-CB 4.17Å; P261-F275 HydrophobicContact CG-CD1 3.62Å; P261-F275 HydrophobicContact CG-CD2 3.27Å; P261-F275 HydrophobicContact CG-CE1 3.71Å; P261-F275 HydrophobicContact CG-CE2 3.37Å; P261-F275 HydrophobicContact CG-CG 3.4Å; P261-F275 HydrophobicContact CG-CZ 3.6Å; K269-F275 WeakPolarHBondContact O-CA 3.44Å; F275-T287 HydrophobicContact CE2-CG2 4.11Å; F275-T287 HydrophobicContact CZ-CG2 4.09Å
276	V	68.7	Low	73.3	Confident	80 Å²	80	72.2 Å²	72.2	49%	0.485	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.5	169.2	177.4	0	0	0	0	108.2	K269 V271	K269-V276 PolarHBondContact N-O 2.01Å; K269-V276 PolarHBondContact O-N 3.19Å; V271-V276 HydrophobicContact CG1-CB 4.41Å; V271-V276 HydrophobicContact CG1-CG2 3.86Å; V271-V276 HydrophobicContact CG2-CG2 3.9Å
277	C	79.4	Confident	72.9	Confident	17 Å²	17	73.5 Å²	73.5	12%	0.115	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.7	172.6	-63.8	0	0	0	0	110.5	C262 C279 T286 C288	C262-C277 WeakPolarHBondContact CA-SG 3.22Å; C262-C277 HydrophobicContact CB-CB 3.72Å; C262-C277 WeakPolarHBondContact CB-SG 3.36Å; C262-C277 WeakPolarHBondContact SG-CA 3.3Å; C262-C277 WeakPolarHBondContact SG-CB 3.37Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 3.33Å; C277-C279 PolarHBondContact O-N 2.88Å; C277-T286 WeakPolarHBondContact CB-O 3.28Å; C277-T286 PolarHBondContact SG-O 2.87Å; C277-T286 VanDerWaalsContact SG-O 3.37Å; C277-C288 VanDerWaalsContact CB-SG 3.55Å
278	Q	83	Confident	72.4	Confident	108 Å²	108	68.7 Å²	68.7	51%	0.505	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	104.5	166.9	-177.1	174.6	-13.2	0	0	108.5	G266 I267	G266-Q278 WeakPolarHBondContact CA-O 3.34Å; I267-Q278 HydrophobicContact CB-CB 4.29Å; I267-Q278 PolarHBondContact N-O 3.09Å; I267-Q278 PolarHBondContact O-N 3.23Å
279	C	75.6	Confident	72.1	Confident	40 Å²	40	71.7 Å²	71.7	27%	0.27	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-76.6	139.8	-176.6	-55.2	0	0	0	0	111.9	C277 Y283 C288	C277-C279 PolarHBondContact O-N 2.88Å; C279-Y283 WeakPolarHBondContact CB-O 3.48Å; C279-C288 WeakPolarHBondContact CA-SG 3.26Å; C279-C288 HydrophobicContact CB-CB 3.75Å; C279-C288 WeakPolarHBondContact CB-SG 3.35Å; C279-C288 WeakPolarHBondContact SG-CA 3.31Å; C279-C288 WeakPolarHBondContact SG-CB 3.37Å; C279-C288 CovalentContact SG-SG 2.04Å; C279-C288 PolarHBondContact SG-SG 3.13Å
280	P	82.5	Confident	71.5	Confident	48 Å²	48	70.7 Å²	70.7	31%	0.312	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-70.1	163.9	170.4	27.4	-29	0	0	0	111	N264 G282 Y283	N264-P280 WeakPolarHBondContact O-CG 3.38Å; P280-G282 PolarHBondContact O-N 2.78Å; P280-Y283 HydrophobicContact CG-CD2 4.08Å; P280-Y283 PolarHBondContact O-N 2.04Å
281	F	73.9	Confident	71.1	Confident	179 Å²	179	71.5 Å²	71.5	79%	0.785	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	133	178.2	-176.6	-94.8	0	0	0	111.7	C326	F281-C326 WeakPolarHBondContact CE2-O 3.36Å
282	G	69.7	Low	71	Confident	29 Å²	29	70.4 Å²	70.4	30%	0.299	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	0.1	-179.3	0	0	0	0	0	115.7	P280 P291 C292	P280-G282 PolarHBondContact O-N 2.78Å; G282-P291 CarbonylContact O-C 3.55Å; G282-P291 WeakPolarHBondContact O-CA 3.45Å; G282-C292 VanDerWaalsContact C-SG 3.52Å; G282-C292 PolarHBondContact O-N 2.74Å
283	Y	76.5	Confident	70.8	Confident	88 Å²	88	69 Å²	69	35%	0.345	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.8	176.9	-66.5	-88.1	0	0	0	113.3	N264 C279 P280 R290	N264-Y283 HydrophobicContact CB-CD1 3.62Å; N264-Y283 HydrophobicContact CB-CD2 4.13Å; N264-Y283 HydrophobicContact CB-CE1 3.62Å; N264-Y283 HydrophobicContact CB-CE2 4.13Å; N264-Y283 HydrophobicContact CB-CG 3.87Å; N264-Y283 VanDerWaalsContact ND2-CD1 3.27Å; N264-Y283 WeakPolarHBondContact ND2-CD1 3.47Å; N264-Y283 VanDerWaalsContact ND2-CE1 3.31Å; N264-Y283 WeakPolarHBondContact ND2-CE1 3.44Å; C279-Y283 WeakPolarHBondContact CB-O 3.48Å; P280-Y283 HydrophobicContact CG-CD2 4.08Å; P280-Y283 PolarHBondContact O-N 2.04Å; Y283-R290 CarbonylContact C-O 3.31Å; Y283-R290 VanDerWaalsContact CA-O 3.26Å; Y283-R290 WeakPolarHBondContact CA-O 3.37Å
284	M	58.2	Low	70.4	Confident	37 Å²	37	66.5 Å²	66.5	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	172.2	-179	67.6	169.7	-179.2	0	0	112.9	C288 H289 R290 P291 Q293	M284-C288 CarbonylContact O-C 3.39Å; M284-C288 WeakPolarHBondContact O-CA 3.38Å; M284-H289 PolarHBondContact O-N 2.87Å; M284-R290 HydrophobicContact CE-CB 4.28Å; M284-R290 HydrophobicContact CG-CB 3.95Å; M284-R290 PolarHBondContact N-O 3.07Å; M284-R290 PolarHBondContact O-N 3.42Å; M284-R290 VanDerWaalsContact O-N 3.07Å; M284-P291 WeakPolarHBondContact CE-O 3.13Å; M284-Q293 HydrophobicContact CE-CB 4.41Å
285	G	53.3	Low	69.6	Low	24 Å²	24	68.2 Å²	68.2	25%	0.247	37%	0.366	C	S	.	.	S	Bend	trans	99.8	161.8	-176.1	0	0	0	0	0	112.7	T287 C288	G285-T287 PolarHBondContact O-N 3.03Å; G285-T287 VanDerWaalsContact O-N 3.13Å; G285-C288 PolarHBondContact O-N 3.23Å
286	T	69	Low	68.2	Low	116 Å²	116	73.8 Å²	73.8	71%	0.712	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.5	-176	48.6	0	0	0	0	114	C277	C277-T286 WeakPolarHBondContact CB-O 3.28Å; C277-T286 PolarHBondContact SG-O 2.87Å; C277-T286 VanDerWaalsContact SG-O 3.37Å
287	T	82.1	Confident	67.4	Low	32 Å²	32	73 Å²	73	20%	0.196	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	14.5	176.7	55	0	0	0	0	112.7	P261 L263 F275 G285 H289	P261-T287 WeakPolarHBondContact O-CB 3.18Å; P261-T287 WeakPolarHBondContact O-CG2 3.47Å; L263-T287 WeakPolarHBondContact CB-O 3.21Å; L263-T287 PolarHBondContact N-O 2.89Å; F275-T287 HydrophobicContact CE2-CG2 4.11Å; F275-T287 HydrophobicContact CZ-CG2 4.09Å; G285-T287 PolarHBondContact O-N 3.03Å; G285-T287 VanDerWaalsContact O-N 3.13Å; T287-H289 PolarHBondContact O-N 3.17Å; T287-H289 VanDerWaalsContact O-N 3.17Å; T287-H289 PolarHBondContact OG1-ND1 2.84Å
288	C	81.6	Confident	66.1	Low	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.399	C	S	.	.	S	Bend	trans	58.7	23.5	-176.5	-47.1	0	0	0	0	115	L263 N264 C277 C279 M284 G285 R290	L263-C288 WeakPolarHBondContact O-CB 3.35Å; N264-C288 PolarHBondContact ND2-O 2.86Å; C277-C288 VanDerWaalsContact CB-SG 3.55Å; C279-C288 WeakPolarHBondContact CA-SG 3.26Å; C279-C288 HydrophobicContact CB-CB 3.75Å; C279-C288 WeakPolarHBondContact CB-SG 3.35Å; C279-C288 WeakPolarHBondContact SG-CA 3.31Å; C279-C288 WeakPolarHBondContact SG-CB 3.37Å; C279-C288 CovalentContact SG-SG 2.04Å; C279-C288 PolarHBondContact SG-SG 3.13Å; M284-C288 CarbonylContact O-C 3.39Å; M284-C288 WeakPolarHBondContact O-CA 3.38Å; G285-C288 PolarHBondContact O-N 3.23Å; C288-R290 VanDerWaalsContact C-N 3.34Å; C288-R290 PolarHBondContact O-N 2.84Å
289	H	83.7	Confident	65.1	Low	88 Å²	88	68.5 Å²	68.5	41%	0.407	38%	0.376	S	S	.	.			trans	-77.4	-10.8	-172.6	67.1	-85.1	0	0	0	115	L263 M284 T287	L263-H289 HydrophobicContact CD1-CB 3.71Å; M284-H289 PolarHBondContact O-N 2.87Å; T287-H289 PolarHBondContact O-N 3.17Å; T287-H289 VanDerWaalsContact O-N 3.17Å; T287-H289 PolarHBondContact OG1-ND1 2.84Å
290	R	71.1	Confident	64.4	Low	94 Å²	94	68 Å²	68	36%	0.355	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.3	-175.5	-61.1	-178.8	-70	-175.2	-1.5	111.3	Y283 M284 C288	Y283-R290 CarbonylContact C-O 3.31Å; Y283-R290 VanDerWaalsContact CA-O 3.26Å; Y283-R290 WeakPolarHBondContact CA-O 3.37Å; M284-R290 HydrophobicContact CE-CB 4.28Å; M284-R290 HydrophobicContact CG-CB 3.95Å; M284-R290 PolarHBondContact N-O 3.07Å; M284-R290 PolarHBondContact O-N 3.42Å; M284-R290 VanDerWaalsContact O-N 3.07Å; C288-R290 VanDerWaalsContact C-N 3.34Å; C288-R290 PolarHBondContact O-N 2.84Å
291	P	69.5	Low	63.3	Low	75 Å²	75	71.6 Å²	71.6	49%	0.487	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.8	161.9	-15.8	29.3	0	0	0	110.3	G282 M284 Q293	G282-P291 CarbonylContact O-C 3.55Å; G282-P291 WeakPolarHBondContact O-CA 3.45Å; M284-P291 WeakPolarHBondContact CE-O 3.13Å; P291-Q293 PolarHBondContact O-N 2.68Å
292	C	62.6	Low	62.6	Low	31 Å²	31	65.2 Å²	65.2	21%	0.209	36%	0.356	C	S	.	.			trans	-61.7	132.4	169.3	-73.2	0	0	0	0	110.2	G282	G282-C292 VanDerWaalsContact C-SG 3.52Å; G282-C292 PolarHBondContact O-N 2.74Å
293	Q	54	Low	62.4	Low	120 Å²	120	64.6 Å²	64.6	56%	0.561	35%	0.35	S	S	*	.			trans	-132.5	126.3	178.2	-70.1	-177.3	-13	0	0	109.7	M284 P291 V295	M284-Q293 HydrophobicContact CE-CB 4.41Å; P291-Q293 PolarHBondContact O-N 2.68Å; Q293-V295 HydrophobicContact CB-CG2 3.76Å; Q293-V295 PolarHBondContact O-N 2.93Å
294	D	53.1	Low	61.9	Low	69 Å²	69	68.8 Å²	68.8	37%	0.369	37%	0.373	S	S	.	.			trans	-78	68.4	166.7	-172.4	-1.6	0	0	0	109.8	Y296 G297 S298 C299	D294-Y296 PolarHBondContact O-N 2.99Å; D294-G297 VanDerWaalsContact CG-CA 3.41Å; D294-G297 PolarHBondContact O-N 2.81Å; D294-G297 VanDerWaalsContact O-N 3.1Å; D294-G297 VanDerWaalsContact OD1-C 3.29Å; D294-G297 WeakPolarHBondContact OD1-CA 3.46Å; D294-G297 PolarHBondContact OD1-N 3.02Å; D294-G297 WeakPolarHBondContact OD2-CA 3.44Å; D294-S298 PolarHBondContact OD1-N 2.77Å; D294-S298 PolarHBondContact OD2-N 3.15Å; D294-C299 VanDerWaalsContact CA-SG 3.56Å; D294-C299 HydrophobicContact CB-CB 4.24Å; D294-C299 WeakPolarHBondContact CB-SG 3.24Å; D294-C299 PolarHBondContact OD1-N 3.28Å; D294-C299 VanDerWaalsContact OD1-N 3.15Å; D294-C299 PolarHBondContact OD1-SG 3.41Å; D294-C299 PolarHBondContact OD2-N 3.14Å
295	V	40.2	Very low	62.4	Low	96 Å²	96	71.2 Å²	71.2	58%	0.582	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.9	-172.5	179.7	0	0	0	0	112.3	Q293	Q293-V295 HydrophobicContact CB-CG2 3.76Å; Q293-V295 PolarHBondContact O-N 2.93Å
296	Y	44.5	Very low	62.9	Low	178 Å²	178	76.1 Å²	76.1	70%	0.698	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	7.5	-177.1	-59.7	-68	0	0	0	113.9	D294 S298	D294-Y296 PolarHBondContact O-N 2.99Å; Y296-S298 PolarHBondContact O-N 3.21Å; Y296-S298 VanDerWaalsContact O-N 3.08Å
297	G	51.8	Low	62.6	Low	64 Å²	64	74.4 Å²	74.4	66%	0.66	39%	0.387	S	S	*	.	S	Bend	trans	55	24.4	-173.7	0	0	0	0	0	113.4	D294	D294-G297 VanDerWaalsContact CG-CA 3.41Å; D294-G297 PolarHBondContact O-N 2.81Å; D294-G297 VanDerWaalsContact O-N 3.1Å; D294-G297 VanDerWaalsContact OD1-C 3.29Å; D294-G297 WeakPolarHBondContact OD1-CA 3.46Å; D294-G297 PolarHBondContact OD1-N 3.02Å; D294-G297 WeakPolarHBondContact OD2-CA 3.44Å
298	S	52.5	Low	61.7	Low	29 Å²	29	73.2 Å²	73.2	20%	0.203	38%	0.38	C	S	.	.			trans	-113.9	-9.2	-169.1	65.6	0	0	0	0	112.7	D294 Y296 G300 Y301 W302	D294-S298 PolarHBondContact OD1-N 2.77Å; D294-S298 PolarHBondContact OD2-N 3.15Å; Y296-S298 PolarHBondContact O-N 3.21Å; Y296-S298 VanDerWaalsContact O-N 3.08Å; S298-G300 VanDerWaalsContact C-N 3.27Å; S298-G300 PolarHBondContact O-N 2.59Å; S298-Y301 WeakPolarHBondContact O-CB 3.4Å; S298-Y301 PolarHBondContact O-N 3.18Å; S298-W302 PolarHBondContact O-N 3.09Å; S298-W302 PolarHBondContact OG-NE1 3.12Å
299	C	61.4	Low	60.6	Low	1 Å²	1	76.8 Å²	76.8	1%	0.007	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-41.4	-177.7	-46.7	0	0	0	0	110.7	D294 Y301 W302 G303 C322 Q328	D294-C299 VanDerWaalsContact CA-SG 3.56Å; D294-C299 HydrophobicContact CB-CB 4.24Å; D294-C299 WeakPolarHBondContact CB-SG 3.24Å; D294-C299 PolarHBondContact OD1-N 3.28Å; D294-C299 VanDerWaalsContact OD1-N 3.15Å; D294-C299 PolarHBondContact OD1-SG 3.41Å; D294-C299 PolarHBondContact OD2-N 3.14Å; C299-Y301 PolarHBondContact O-N 3.09Å; C299-W302 PolarHBondContact O-N 3.35Å; C299-G303 PolarHBondContact O-N 3.44Å; C299-C322 HydrophobicContact CB-CB 3.98Å; C299-C322 WeakPolarHBondContact CB-SG 3.3Å; C299-C322 WeakPolarHBondContact SG-CB 3.25Å; C299-C322 CovalentContact SG-SG 1.99Å; C299-C322 PolarHBondContact SG-SG 3.3Å; C299-Q328 PolarHBondContact O-OE1 3.1Å
300	G	60.7	Low	59.3	Low	30 Å²	30	75.6 Å²	75.6	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-58.2	-44.6	173.2	0	0	0	0	0	112.8	S298 W302 G303 E304	S298-G300 VanDerWaalsContact C-N 3.27Å; S298-G300 PolarHBondContact O-N 2.59Å; G300-W302 PolarHBondContact O-N 2.68Å; G300-G303 PolarHBondContact O-N 3.44Å; G300-E304 WeakPolarHBondContact O-CB 3.38Å; G300-E304 WeakPolarHBondContact O-CG 3.04Å; G300-E304 PolarHBondContact O-N 3.18Å
301	Y	60.2	Low	58.2	Low	123 Å²	123	74.7 Å²	74.7	48%	0.482	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-40	177.3	-177.7	-95.1	0	0	0	112.6	S298 C299 Q305	S298-Y301 WeakPolarHBondContact O-CB 3.4Å; S298-Y301 PolarHBondContact O-N 3.18Å; C299-Y301 PolarHBondContact O-N 3.09Å; Y301-Q305 HydrophobicContact CE2-CG 4.46Å; Y301-Q305 VanDerWaalsContact CE2-NE2 3.32Å; Y301-Q305 WeakPolarHBondContact O-CB 3.47Å; Y301-Q305 WeakPolarHBondContact O-CG 3.4Å; Y301-Q305 PolarHBondContact O-N 2.95Å; Y301-Q305 PolarHBondContact OH-NE2 2.94Å; Y301-Q305 PolarHBondContact OH-OE1 2.93Å
302	W	59.9	Low	57	Low	45 Å²	45	80.3 Å²	80.3	17%	0.17	41%	0.408	C	S	.	.	H	α-helix	trans	-71.2	-36.5	177.2	-63.5	114	0	0	0	112.4	S298 C299 G300 D306 K307 T310 A323	S298-W302 PolarHBondContact O-N 3.09Å; S298-W302 PolarHBondContact OG-NE1 3.12Å; C299-W302 PolarHBondContact O-N 3.35Å; G300-W302 PolarHBondContact O-N 2.68Å; W302-D306 PolarHBondContact O-N 2.86Å; W302-K307 HydrophobicContact CE3-CB 3.51Å; W302-K307 HydrophobicContact CE3-CD 4.04Å; W302-K307 HydrophobicContact CE3-CG 4.42Å; W302-K307 HydrophobicContact CZ3-CB 3.98Å; W302-K307 HydrophobicContact CZ3-CD 3.86Å; W302-K307 PolarHBondContact O-N 2.76Å; W302-T310 HydrophobicContact CH2-CG2 4.12Å; W302-T310 HydrophobicContact CZ3-CG2 3.76Å; W302-A323 HydrophobicContact CB-CB 3.91Å
303	G	64	Low	56.1	Low	16 Å²	16	84.7 Å²	84.7	17%	0.165	44%	0.435	C	S	.	.	H	α-helix	trans	-69.5	-47.3	176.2	0	0	0	0	0	112.7	C299 G300 Q305 D306	C299-G303 PolarHBondContact O-N 3.44Å; G300-G303 PolarHBondContact O-N 3.44Å; G303-Q305 VanDerWaalsContact C-N 3.32Å; G303-Q305 PolarHBondContact O-N 2.82Å; G303-D306 PolarHBondContact O-N 2.83Å
304	E	67.6	Low	55.2	Low	176 Å²	176	83.2 Å²	83.2	82%	0.822	44%	0.444	S	S	*	.	H	α-helix	trans	-67	-30.7	179.9	-75.5	-178.3	175.1	0	0	113.2	G300 D306	G300-E304 WeakPolarHBondContact O-CB 3.38Å; G300-E304 WeakPolarHBondContact O-CG 3.04Å; G300-E304 PolarHBondContact O-N 3.18Å; E304-D306 VanDerWaalsContact C-N 3.33Å
305	Q	67.2	Low	54.3	Low	89 Å²	89	84 Å²	84	42%	0.416	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.9	176.8	-64.6	-153.9	-6.2	0	0	114.1	Y301 G303 K307	Y301-Q305 HydrophobicContact CE2-CG 4.46Å; Y301-Q305 VanDerWaalsContact CE2-NE2 3.32Å; Y301-Q305 WeakPolarHBondContact O-CB 3.47Å; Y301-Q305 WeakPolarHBondContact O-CG 3.4Å; Y301-Q305 PolarHBondContact O-N 2.95Å; Y301-Q305 PolarHBondContact OH-NE2 2.94Å; Y301-Q305 PolarHBondContact OH-OE1 2.93Å; G303-Q305 VanDerWaalsContact C-N 3.32Å; G303-Q305 PolarHBondContact O-N 2.82Å; Q305-K307 HydrophobicContact CB-CB 4.48Å; Q305-K307 HydrophobicContact CB-CD 3.99Å; Q305-K307 HydrophobicContact CB-CG 3.97Å; Q305-K307 PolarHBondContact O-N 3.46Å; Q305-K307 VanDerWaalsContact OE1-CE 3.27Å
306	D	64.4	Low	54.1	Low	126 Å²	126	86.5 Å²	86.5	67%	0.674	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	27.1	-177.5	-133.6	4.3	0	0	0	112.8	W302 G303 E304 C308	W302-D306 PolarHBondContact O-N 2.86Å; G303-D306 PolarHBondContact O-N 2.83Å; E304-D306 VanDerWaalsContact C-N 3.33Å; D306-C308 PolarHBondContact O-N 2.9Å; D306-C308 VanDerWaalsContact O-N 3.1Å
307	K	62.4	Low	53.7	Low	80 Å²	80	85.8 Å²	85.8	35%	0.348	46%	0.462	S	S	.	.			trans	-87.9	37.4	-176.5	-77.6	-179.3	175.4	166.6	0	111.8	W302 Q305 E309 T310 N321	W302-K307 HydrophobicContact CE3-CB 3.51Å; W302-K307 HydrophobicContact CE3-CD 4.04Å; W302-K307 HydrophobicContact CE3-CG 4.42Å; W302-K307 HydrophobicContact CZ3-CB 3.98Å; W302-K307 HydrophobicContact CZ3-CD 3.86Å; W302-K307 PolarHBondContact O-N 2.76Å; Q305-K307 HydrophobicContact CB-CB 4.48Å; Q305-K307 HydrophobicContact CB-CD 3.99Å; Q305-K307 HydrophobicContact CB-CG 3.97Å; Q305-K307 PolarHBondContact O-N 3.46Å; Q305-K307 VanDerWaalsContact OE1-CE 3.27Å; K307-E309 PolarHBondContact O-N 3.02Å; K307-T310 PolarHBondContact O-N 2.8Å; K307-T310 VanDerWaalsContact O-N 3.13Å; K307-T310 PolarHBondContact O-OG1 2.73Å; K307-N321 PolarHBondContact O-ND2 3.22Å
308	C	63.5	Low	52.9	Low	7 Å²	7	89.6 Å²	89.6	5%	0.047	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.7	-177.7	-49.9	0	0	0	0	112.5	D306 N321 V324 C329	D306-C308 PolarHBondContact O-N 2.9Å; D306-C308 VanDerWaalsContact O-N 3.1Å; C308-N321 WeakPolarHBondContact CA-ND2 3.48Å; C308-N321 PolarHBondContact O-ND2 2.93Å; C308-V324 HydrophobicContact CB-CG2 3.88Å; C308-C329 HydrophobicContact CB-CB 4.32Å; C308-C329 WeakPolarHBondContact CB-SG 3.25Å; C308-C329 WeakPolarHBondContact SG-CB 2.78Å; C308-C329 CovalentContact SG-SG 2.01Å; C308-C329 PolarHBondContact SG-SG 3.49Å
309	E	59.6	Low	52.4	Low	75 Å²	75	93.3 Å²	93.3	35%	0.35	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.2	-177.5	-61.4	177.2	171.7	0	0	113.5	K307 M311 S332 T335	K307-E309 PolarHBondContact O-N 3.02Å; E309-M311 PolarHBondContact O-N 2.62Å; E309-S332 WeakPolarHBondContact OE1-CB 3.47Å; E309-S332 PolarHBondContact OE1-OG 2.88Å; E309-T335 WeakPolarHBondContact OE2-CG2 3.42Å; E309-T335 PolarHBondContact OE2-OG1 2.76Å
310	T	54.5	Low	52	Low	63 Å²	63	97.4 Å²	97.4	39%	0.387	50%	0.5	S	S	.	.			trans	-79	92.4	-175.4	-46.9	0	0	0	0	111.3	W302 K307	W302-T310 HydrophobicContact CH2-CG2 4.12Å; W302-T310 HydrophobicContact CZ3-CG2 3.76Å; K307-T310 PolarHBondContact O-N 2.8Å; K307-T310 VanDerWaalsContact O-N 3.13Å; K307-T310 PolarHBondContact O-OG1 2.73Å
311	M	49.1	Very low	51.8	Low	75 Å²	75	96.9 Å²	96.9	37%	0.369	49%	0.49	S	S	.	.			trans	-83.3	127.7	162.6	-77.2	-159.9	-105.2	0	0	109.8	E309 P313 K337	E309-M311 PolarHBondContact O-N 2.62Å; M311-P313 VanDerWaalsContact O-CD 3.26Å; M311-P313 WeakPolarHBondContact O-CD 3.28Å; M311-K337 VanDerWaalsContact CE-CE 3.49Å
312	R	44	Very low	51.9	Low	194 Å²	194	92.3 Å²	92.3	73%	0.732	48%	0.476	S	S	*	.			trans	-77.9	114.8	167.3	-85.2	-169.3	179.5	172.1	2	108.6	A314	R312-A314 PolarHBondContact O-N 2.75Å
313	P	43.1	Very low	52.1	Low	122 Å²	122	90.2 Å²	90.2	79%	0.792	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.7	-176.2	-15.9	30.7	0	0	0	114.6	M311	M311-P313 VanDerWaalsContact O-CD 3.26Å; M311-P313 WeakPolarHBondContact O-CD 3.28Å
314	A	35.7	Very low	52.1	Low	90 Å²	90	91.3 Å²	91.3	74%	0.744	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.9	-163	0	0	0	0	0	114.8	R312	R312-A314 PolarHBondContact O-N 2.75Å
315	T	34.3	Very low	52	Low	85 Å²	85	85.5 Å²	85.5	52%	0.521	45%	0.448	S	S	.	.			trans	-143.3	112.2	178.1	57.1	0	0	0	0	110.1	F317	T315-F317 PolarHBondContact O-N 3.14Å
316	D	36.8	Very low	51.9	Low	148 Å²	148	82.2 Å²	82.2	79%	0.791	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	19.3	173.1	-56	-38.2	0	0	0	113.9
317	F	34.7	Very low	52.1	Low	164 Å²	164	78.9 Å²	78.9	72%	0.719	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-21.3	-164.8	-103.3	-89.6	0	0	0	115.4	T315	T315-F317 PolarHBondContact O-N 3.14Å
318	Y	36.6	Very low	52.4	Low	143 Å²	143	79.7 Å²	79.7	56%	0.561	44%	0.435	S	S	*	.			trans	-154.5	85.7	179.2	-59.3	-78.1	0	0	0	112.8	V320	Y318-V320 VanDerWaalsContact C-N 3.27Å; Y318-V320 PolarHBondContact O-N 3.47Å; Y318-V320 VanDerWaalsContact O-N 3.12Å
319	D	41.1	Very low	52.7	Low	108 Å²	108	80.2 Å²	80.2	58%	0.578	44%	0.439	S	S	*	.			trans	-77.6	21.7	-173.6	-90.8	-22.4	0	0	0	116.5
320	V	52	Low	53.1	Low	86 Å²	86	82.6 Å²	82.6	52%	0.521	46%	0.459	S	S	.	.	S	Bend	trans	-139.4	125.5	172.3	-161.9	0	0	0	0	111.2	Y318 C322 V324 T325	Y318-V320 VanDerWaalsContact C-N 3.27Å; Y318-V320 PolarHBondContact O-N 3.47Å; Y318-V320 VanDerWaalsContact O-N 3.12Å; V320-C322 PolarHBondContact O-N 3.41Å; V320-V324 HydrophobicContact CG1-CB 4.42Å; V320-T325 HydrophobicContact CB-CG2 3.94Å; V320-T325 HydrophobicContact CG1-CG2 3.57Å
321	N	56.5	Low	53.3	Low	20 Å²	20	84.5 Å²	84.5	11%	0.107	46%	0.459	C	S	.	.			trans	-54.7	121	171.6	-177.5	-14.1	0	0	0	109.2	K307 C308 A323 V324 T325	K307-N321 PolarHBondContact O-ND2 3.22Å; C308-N321 WeakPolarHBondContact CA-ND2 3.48Å; C308-N321 PolarHBondContact O-ND2 2.93Å; N321-A323 PolarHBondContact O-N 2.79Å; N321-A323 VanDerWaalsContact O-N 3.12Å; N321-A323 WeakPolarHBondContact OD1-CB 3.48Å; N321-A323 PolarHBondContact OD1-N 3.17Å; N321-V324 HydrophobicContact CB-CG2 4.22Å; N321-V324 WeakPolarHBondContact O-CB 3.19Å; N321-V324 PolarHBondContact O-N 2.56Å; N321-T325 PolarHBondContact O-N 2.84Å; N321-T325 PolarHBondContact O-OG1 2.86Å
322	C	62.4	Low	53.8	Low	27 Å²	27	83.5 Å²	83.5	18%	0.182	46%	0.46	C	S	.	.	H	α-helix	trans	-54	-31.6	-179.5	167.7	0	0	0	0	113.3	C299 V320 V324 T325 C326	C299-C322 HydrophobicContact CB-CB 3.98Å; C299-C322 WeakPolarHBondContact CB-SG 3.3Å; C299-C322 WeakPolarHBondContact SG-CB 3.25Å; C299-C322 CovalentContact SG-SG 1.99Å; C299-C322 PolarHBondContact SG-SG 3.3Å; V320-C322 PolarHBondContact O-N 3.41Å; C322-V324 PolarHBondContact O-N 2.8Å; C322-T325 WeakPolarHBondContact CA-OG1 3.35Å; C322-T325 PolarHBondContact O-N 2.71Å; C322-T325 PolarHBondContact O-OG1 2.89Å; C322-C326 WeakPolarHBondContact O-CB 3.43Å; C322-C326 PolarHBondContact O-N 2.81Å; C322-C326 PolarHBondContact O-SG 3.42Å; C322-C326 PolarHBondContact SG-SG 2.88Å
323	A	64	Low	54.1	Low	0 Å²	0	81.4 Å²	81.4	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-61.3	-34.4	175.8	0	0	0	0	0	112.3	W302 N321 G327 Q328 C329	W302-A323 HydrophobicContact CB-CB 3.91Å; N321-A323 PolarHBondContact O-N 2.79Å; N321-A323 VanDerWaalsContact O-N 3.12Å; N321-A323 WeakPolarHBondContact OD1-CB 3.48Å; N321-A323 PolarHBondContact OD1-N 3.17Å; A323-G327 PolarHBondContact O-N 2.89Å; A323-Q328 HydrophobicContact CB-CB 4.31Å; A323-Q328 WeakPolarHBondContact O-CA 3.44Å; A323-Q328 WeakPolarHBondContact O-CB 3.4Å; A323-Q328 PolarHBondContact O-N 2.76Å; A323-C329 PolarHBondContact O-N 3.11Å
324	V	65.3	Low	54.2	Low	40 Å²	40	84.2 Å²	84.2	24%	0.242	46%	0.463	C	S	.	.	H	α-helix	trans	-75.5	-46.9	177.3	-179.7	0	0	0	0	110.7	C308 V320 N321 C322 C326 G327	C308-V324 HydrophobicContact CB-CG2 3.88Å; V320-V324 HydrophobicContact CG1-CB 4.42Å; N321-V324 HydrophobicContact CB-CG2 4.22Å; N321-V324 WeakPolarHBondContact O-CB 3.19Å; N321-V324 PolarHBondContact O-N 2.56Å; C322-V324 PolarHBondContact O-N 2.8Å; V324-C326 VanDerWaalsContact C-N 3.31Å; V324-C326 PolarHBondContact O-N 3.24Å; V324-G327 PolarHBondContact O-N 2.85Å
325	T	64.1	Low	54.4	Low	53 Å²	53	83 Å²	83	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-69.9	-25.9	179.5	35.3	0	0	0	0	113.8	V320 N321 C322 G327	V320-T325 HydrophobicContact CB-CG2 3.94Å; V320-T325 HydrophobicContact CG1-CG2 3.57Å; N321-T325 PolarHBondContact O-N 2.84Å; N321-T325 PolarHBondContact O-OG1 2.86Å; C322-T325 WeakPolarHBondContact CA-OG1 3.35Å; C322-T325 PolarHBondContact O-N 2.71Å; C322-T325 PolarHBondContact O-OG1 2.89Å; T325-G327 VanDerWaalsContact C-N 3.32Å
326	C	66.2	Low	54.5	Low	21 Å²	21	84.9 Å²	84.9	14%	0.142	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.4	174.2	-60.7	0	0	0	0	113.4	F281 C322 V324 Q328	F281-C326 WeakPolarHBondContact CE2-O 3.36Å; C322-C326 WeakPolarHBondContact O-CB 3.43Å; C322-C326 PolarHBondContact O-N 2.81Å; C322-C326 PolarHBondContact O-SG 3.42Å; C322-C326 PolarHBondContact SG-SG 2.88Å; V324-C326 VanDerWaalsContact C-N 3.31Å; V324-C326 PolarHBondContact O-N 3.24Å; C326-Q328 HydrophobicContact CB-CG 4.15Å; C326-Q328 PolarHBondContact O-N 2.78Å
327	G	67.7	Low	54.6	Low	56 Å²	56	84.2 Å²	84.2	58%	0.577	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	20.1	-179.6	0	0	0	0	0	114.3	A323 V324 T325 C329	A323-G327 PolarHBondContact O-N 2.89Å; V324-G327 PolarHBondContact O-N 2.85Å; T325-G327 VanDerWaalsContact C-N 3.32Å; G327-C329 VanDerWaalsContact C-N 3.34Å
328	Q	69.8	Low	54.8	Low	97 Å²	97	82.1 Å²	82.1	45%	0.453	45%	0.448	S	S	.	.	S	Bend	trans	-78.4	-21.4	177.3	-64.3	-176.8	-2.6	0	0	112.2	C299 A323 C326	C299-Q328 PolarHBondContact O-OE1 3.1Å; A323-Q328 HydrophobicContact CB-CB 4.31Å; A323-Q328 WeakPolarHBondContact O-CA 3.44Å; A323-Q328 WeakPolarHBondContact O-CB 3.4Å; A323-Q328 PolarHBondContact O-N 2.76Å; C326-Q328 HydrophobicContact CB-CG 4.15Å; C326-Q328 PolarHBondContact O-N 2.78Å
329	C	69.6	Low	55.4	Low	18 Å²	18	79.5 Å²	79.5	12%	0.122	44%	0.444	C	S	.	.	S	Bend	trans	-153.1	162.6	169.9	71.3	0	0	0	0	112.3	C308 A323 G327	C308-C329 HydrophobicContact CB-CB 4.32Å; C308-C329 WeakPolarHBondContact CB-SG 3.25Å; C308-C329 WeakPolarHBondContact SG-CB 2.78Å; C308-C329 CovalentContact SG-SG 2.01Å; C308-C329 PolarHBondContact SG-SG 3.49Å; A323-C329 PolarHBondContact O-N 3.11Å; G327-C329 VanDerWaalsContact C-N 3.34Å
330	T	67.8	Low	56	Low	125 Å²	125	77.2 Å²	77.2	77%	0.767	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-99.9	127.7	-177.6	47.4	0	0	0	0	111.3	S332	T330-S332 PolarHBondContact O-N 3.16Å
331	Y	59.4	Low	56	Low	102 Å²	102	78 Å²	78	40%	0.4	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-65.3	116.6	173.6	-173	-95.7	0	0	0	110.5
332	S	57.7	Low	56.4	Low	55 Å²	55	78 Å²	78	39%	0.385	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-82.5	124.5	169.3	155.2	0	0	0	0	108.5	E309 T330 K334	E309-S332 WeakPolarHBondContact OE1-CB 3.47Å; E309-S332 PolarHBondContact OE1-OG 2.88Å; T330-S332 PolarHBondContact O-N 3.16Å; S332-K334 PolarHBondContact O-N 2.83Å
333	N	50.8	Low	56.4	Low	149 Å²	149	78 Å²	78	80%	0.797	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	28.5	-175.7	-141.2	12.5	0	0	0	113.4
334	K	46.2	Very low	56.1	Low	181 Å²	181	82.6 Å²	82.6	79%	0.787	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-6.3	-168.5	-75.6	-172.5	175.1	-179.8	0	116.2	S332	S332-K334 PolarHBondContact O-N 2.83Å
335	T	38.6	Very low	55.9	Low	65 Å²	65	83.9 Å²	83.9	40%	0.399	47%	0.474	S	S	.	.	S	Bend	trans	-97.1	100.2	160.3	42.4	0	0	0	0	109.6	E309 K337	E309-T335 WeakPolarHBondContact OE2-CG2 3.42Å; E309-T335 PolarHBondContact OE2-OG1 2.76Å; T335-K337 PolarHBondContact O-N 2.79Å
336	V	36.7	Very low	56.3	Low	124 Å²	124	81.3 Å²	81.3	75%	0.752	46%	0.458	S	S	*	.			trans	-49.4	112.6	165.6	176.4	0	0	0	0	107.2	T338	V336-T338 VanDerWaalsContact C-N 3.28Å; V336-T338 PolarHBondContact O-N 3.31Å
337	K	40.4	Very low	56.5	Low	134 Å²	134	85.4 Å²	85.4	58%	0.583	48%	0.475	S	S	*	.			trans	-48.5	110.2	148.8	-93.7	-176.3	175.9	-179.3	0	103.2	M311 T335 L339	M311-K337 VanDerWaalsContact CE-CE 3.49Å; T335-K337 PolarHBondContact O-N 2.79Å; K337-L339 PolarHBondContact O-N 3.01Å
338	T	37	Very low	56.9	Low	120 Å²	120	85.2 Å²	85.2	74%	0.736	46%	0.464	S	S	*	.			trans	-54.9	105.3	169.7	47.5	0	0	0	0	104.4	V336 D340	V336-T338 VanDerWaalsContact C-N 3.28Å; V336-T338 PolarHBondContact O-N 3.31Å; T338-D340 PolarHBondContact O-N 3.45Å
339	L	50.3	Low	57.4	Low	88 Å²	88	80.6 Å²	80.6	46%	0.461	44%	0.442	S	S	.	.			trans	-51.2	127.9	175.2	-163.3	71.2	0	0	0	104.5	K337 T341 D507 I508	K337-L339 PolarHBondContact O-N 3.01Å; L339-T341 WeakPolarHBondContact O-CG2 3.15Å; L339-T341 PolarHBondContact O-N 2.81Å; L339-D507 HydrophobicContact CD1-CB 4.13Å; L339-I508 VanDerWaalsContact CD2-C 3.45Å; L339-I508 WeakPolarHBondContact CD2-OXT 3.05Å; L339-I508 VanDerWaalsContact CG-C 3.47Å; L339-I508 WeakPolarHBondContact CG-OXT 3.39Å
340	D	53.4	Low	58	Low	61 Å²	61	84.3 Å²	84.3	33%	0.326	46%	0.46	S	S	.	.			trans	-67.4	78.1	178.1	-85.9	-27.6	0	0	0	106.1	T338 L342 N385 R387	T338-D340 PolarHBondContact O-N 3.45Å; D340-L342 PolarHBondContact O-N 3.5Å; D340-N385 PolarHBondContact O-ND2 3.27Å; D340-R387 IonicContact OD2-CZ 3.11Å; D340-R387 IonicContact OD2-NE 3.92Å; D340-R387 PolarHBondContact OD2-NE 3.34Å; D340-R387 VanDerWaalsContact OD2-NE 3.16Å; D340-R387 IonicContact OD2-NH2 2.73Å; D340-R387 PolarHBondContact OD2-NH2 2.75Å
341	T	53	Low	58.9	Low	103 Å²	103	79.6 Å²	79.6	63%	0.632	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-60.3	124.7	-166.6	52.6	0	0	0	0	109.2	L339 P343 N385	L339-T341 WeakPolarHBondContact O-CG2 3.15Å; L339-T341 PolarHBondContact O-N 2.81Å; T341-P343 WeakPolarHBondContact O-CD 3.47Å; T341-N385 PolarHBondContact O-ND2 3.47Å
342	L	64.4	Low	60.3	Low	18 Å²	18	74.9 Å²	74.9	9%	0.094	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-66.1	127.7	172.4	-164.1	58.8	0	0	0	109.1	D340 L346 L350 I353 L396 I508	D340-L342 PolarHBondContact O-N 3.5Å; L342-L346 HydrophobicContact CD1-CB 3.63Å; L342-L346 HydrophobicContact CD1-CD1 4.16Å; L342-L346 HydrophobicContact CD2-CB 4.35Å; L342-L346 WeakPolarHBondContact CD2-O 3.19Å; L342-L346 HydrophobicContact CG-CB 3.82Å; L342-L350 HydrophobicContact CD2-CD2 3.62Å; L342-L350 HydrophobicContact CD2-CG 3.86Å; L342-I353 HydrophobicContact CD1-CD1 3.93Å; L342-I353 HydrophobicContact CD2-CD1 3.76Å; L342-L396 HydrophobicContact CD1-CD2 3.73Å; L342-I508 HydrophobicContact CB-CG2 3.48Å; L342-I508 VanDerWaalsContact CB-CG2 3.48Å; L342-I508 HydrophobicContact CD2-CG2 4.3Å; L342-I508 HydrophobicContact CG-CG2 4.34Å
343	P	61.5	Low	61.8	Low	28 Å²	28	72.6 Å²	72.6	18%	0.182	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-52.9	134	167	-27.8	37.2	0	0	0	109.5	T341 V345 L346 P394	T341-P343 WeakPolarHBondContact O-CD 3.47Å; P343-V345 HydrophobicContact CB-CG1 4.16Å; P343-V345 PolarHBondContact O-N 2.78Å; P343-L346 HydrophobicContact CB-CD1 4.5Å; P343-L346 HydrophobicContact CB-CG 4.44Å; P343-L346 HydrophobicContact CG-CD1 4.26Å; P343-L346 WeakPolarHBondContact O-CA 3.46Å; P343-L346 PolarHBondContact O-N 2.83Å; P343-P394 HydrophobicContact CB-CB 3.82Å; P343-P394 HydrophobicContact CB-CG 4.07Å; P343-P394 HydrophobicContact CG-CB 3.97Å; P343-P394 HydrophobicContact CG-CG 4.45Å
344	P	58.5	Low	63.7	Low	97 Å²	97	65.5 Å²	65.5	63%	0.63	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-53.7	-31.9	-176.2	-30.8	35.6	0	0	0	114	L346 E347	P344-L346 PolarHBondContact O-N 2.79Å; P344-L346 VanDerWaalsContact O-N 3.15Å; P344-E347 WeakPolarHBondContact O-CB 3.48Å; P344-E347 WeakPolarHBondContact O-CG 3.28Å; P344-E347 PolarHBondContact O-N 2.81Å; P344-E347 VanDerWaalsContact O-N 3.15Å
345	V	60.1	Low	65.8	Low	66 Å²	66	57.6 Å²	57.6	40%	0.4	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.7	175.2	73.3	0	0	0	0	113.2	P343 P394 L420	P343-V345 HydrophobicContact CB-CG1 4.16Å; P343-V345 PolarHBondContact O-N 2.78Å; V345-P394 HydrophobicContact CG1-CB 3.56Å; V345-P394 HydrophobicContact CG1-CG 3.62Å; V345-L420 HydrophobicContact CG2-CB 4.42Å; V345-L420 HydrophobicContact CG2-CD1 3.99Å; V345-L420 HydrophobicContact CG2-CG 4.49Å; V345-L420 WeakPolarHBondContact O-CD1 3.38Å; V345-L420 WeakPolarHBondContact O-CG 3.36Å
346	L	73.5	Confident	68.4	Low	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-101.3	-1.7	179	-58.4	-179.2	0	0	0	113.1	L342 P343 P344 P348 F349 P394 L396	L342-L346 HydrophobicContact CD1-CB 3.63Å; L342-L346 HydrophobicContact CD1-CD1 4.16Å; L342-L346 HydrophobicContact CD2-CB 4.35Å; L342-L346 WeakPolarHBondContact CD2-O 3.19Å; L342-L346 HydrophobicContact CG-CB 3.82Å; P343-L346 HydrophobicContact CB-CD1 4.5Å; P343-L346 HydrophobicContact CB-CG 4.44Å; P343-L346 HydrophobicContact CG-CD1 4.26Å; P343-L346 WeakPolarHBondContact O-CA 3.46Å; P343-L346 PolarHBondContact O-N 2.83Å; P344-L346 PolarHBondContact O-N 2.79Å; P344-L346 VanDerWaalsContact O-N 3.15Å; L346-P348 VanDerWaalsContact C-N 3.25Å; L346-F349 HydrophobicContact CB-CD2 4.32Å; L346-F349 HydrophobicContact CD2-CD2 4.06Å; L346-F349 HydrophobicContact CD2-CE2 4.01Å; L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 PolarHBondContact O-N 3.15Å; L346-P394 HydrophobicContact CD1-CB 3.96Å; L346-P394 HydrophobicContact CD2-CB 4.43Å; L346-P394 HydrophobicContact CG-CB 4.05Å; L346-L396 HydrophobicContact CD1-CD2 3.93Å; L346-L396 HydrophobicContact CD1-CG 4.17Å
347	E	69.7	Low	71	Confident	106 Å²	106	52.6 Å²	52.6	50%	0.495	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-50.5	-36.7	174.7	-74.8	175.5	-166.7	0	0	114.2	P344 F349 L350	P344-E347 WeakPolarHBondContact O-CB 3.48Å; P344-E347 WeakPolarHBondContact O-CG 3.28Å; P344-E347 PolarHBondContact O-N 2.81Å; P344-E347 VanDerWaalsContact O-N 3.15Å; E347-F349 PolarHBondContact O-N 2.62Å; E347-L350 HydrophobicContact CB-CD1 4.28Å; E347-L350 HydrophobicContact CG-CD1 4.44Å; E347-L350 WeakPolarHBondContact O-CB 3.24Å; E347-L350 WeakPolarHBondContact O-CD1 3.41Å; E347-L350 WeakPolarHBondContact O-CG 3.3Å; E347-L350 PolarHBondContact O-N 2.93Å
348	P	75.8	Confident	73	Confident	52 Å²	52	46.6 Å²	46.6	34%	0.338	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.7	-16.9	174.9	-29	38.8	0	0	0	114.8	L346 W351 L420 I427 M444	L346-P348 VanDerWaalsContact C-N 3.25Å; P348-W351 PolarHBondContact O-NE1 2.82Å; P348-W351 VanDerWaalsContact O-NE1 3.15Å; P348-L420 HydrophobicContact CG-CD1 4.34Å; P348-I427 HydrophobicContact CB-CD1 3.87Å; P348-I427 HydrophobicContact CG-CD1 4.1Å; P348-M444 VanDerWaalsContact C-CE 3.49Å; P348-M444 HydrophobicContact CB-CE 3.3Å; P348-M444 VanDerWaalsContact O-CE 3.24Å; P348-M444 WeakPolarHBondContact O-CE 3.29Å
349	F	81.3	Confident	75	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-91.6	-0.4	176.2	-65.9	-71.5	0	0	0	114.4	L346 E347 W351 I352 I353 L396 V418 L420 V429 M444 M449	L346-F349 HydrophobicContact CB-CD2 4.32Å; L346-F349 HydrophobicContact CD2-CD2 4.06Å; L346-F349 HydrophobicContact CD2-CE2 4.01Å; L346-F349 WeakPolarHBondContact O-CB 3.44Å; L346-F349 PolarHBondContact O-N 3.15Å; E347-F349 PolarHBondContact O-N 2.62Å; F349-W351 PolarHBondContact O-N 3.31Å; F349-I352 HydrophobicContact CB-CG2 4.28Å; F349-I352 HydrophobicContact CD1-CG2 4.35Å; F349-I352 WeakPolarHBondContact O-CG2 3.23Å; F349-I352 PolarHBondContact O-N 2.97Å; F349-I353 WeakPolarHBondContact O-CG1 3.31Å; F349-I353 PolarHBondContact O-N 2.98Å; F349-L396 HydrophobicContact CB-CD1 3.42Å; F349-L396 VanDerWaalsContact CB-CD1 3.42Å; F349-L396 HydrophobicContact CD1-CD1 4.46Å; F349-L396 HydrophobicContact CD2-CD1 4.03Å; F349-L396 HydrophobicContact CG-CD1 3.75Å; F349-V418 HydrophobicContact CD1-CG1 4.1Å; F349-V418 HydrophobicContact CD2-CG1 4.34Å; F349-V418 HydrophobicContact CE1-CG1 3.81Å; F349-V418 HydrophobicContact CE1-CG2 4.23Å; F349-V418 HydrophobicContact CE2-CG1 4.05Å; F349-V418 HydrophobicContact CG-CG1 4.36Å; F349-V418 HydrophobicContact CZ-CG1 3.78Å; F349-V418 HydrophobicContact CZ-CG2 4.39Å; F349-L420 HydrophobicContact CD2-CD2 4.38Å; F349-L420 HydrophobicContact CE2-CD2 3.36Å; F349-L420 HydrophobicContact CE2-CG 3.85Å; F349-L420 HydrophobicContact CZ-CD2 3.53Å; F349-L420 HydrophobicContact CZ-CG 4.44Å; F349-V429 HydrophobicContact CE1-CG2 4.06Å; F349-V429 HydrophobicContact CZ-CG2 3.97Å; F349-M444 HydrophobicContact CD1-CE 3.86Å; F349-M444 HydrophobicContact CD1-SD 3.64Å; F349-M444 HydrophobicContact CE1-CE 3.83Å; F349-M444 HydrophobicContact CE1-SD 3.62Å; F349-M444 HydrophobicContact CG-CE 4.23Å; F349-M444 HydrophobicContact CZ-CE 4.18Å; F349-M444 HydrophobicContact CZ-SD 4.48Å; F349-M449 HydrophobicContact CE1-SD 4.12Å
350	L	82.7	Confident	75.9	Confident	95 Å²	95	42.2 Å²	42.2	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-35	-175.7	-80.5	168.3	0	0	0	113.5	L342 E347 I352 I353	L342-L350 HydrophobicContact CD2-CD2 3.62Å; L342-L350 HydrophobicContact CD2-CG 3.86Å; E347-L350 HydrophobicContact CB-CD1 4.28Å; E347-L350 HydrophobicContact CG-CD1 4.44Å; E347-L350 WeakPolarHBondContact O-CB 3.24Å; E347-L350 WeakPolarHBondContact O-CD1 3.41Å; E347-L350 WeakPolarHBondContact O-CG 3.3Å; E347-L350 PolarHBondContact O-N 2.93Å; L350-I352 VanDerWaalsContact C-N 3.3Å; L350-I352 PolarHBondContact O-N 3Å; L350-I353 HydrophobicContact CD2-CD1 4.48Å; L350-I353 PolarHBondContact O-N 3.15Å
351	W	86.5	Confident	76	Confident	26 Å²	26	41.2 Å²	41.2	10%	0.098	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.1	179.9	66.5	-91.2	0	0	0	113.6	P348 F349 M444 T447 M449 F473 L475 L480	P348-W351 PolarHBondContact O-NE1 2.82Å; P348-W351 VanDerWaalsContact O-NE1 3.15Å; F349-W351 PolarHBondContact O-N 3.31Å; W351-M444 HydrophobicContact CZ2-SD 4.09Å; W351-T447 HydrophobicContact CB-CG2 4.32Å; W351-M449 HydrophobicContact CH2-CB 4.23Å; W351-M449 HydrophobicContact CZ2-CB 3.91Å; W351-F473 HydrophobicContact CH2-CB 3.79Å; W351-F473 HydrophobicContact CZ3-CB 4.44Å; W351-L475 HydrophobicContact CE3-CB 4.09Å; W351-L480 HydrophobicContact CE3-CD1 4.31Å; W351-L480 HydrophobicContact CH2-CD1 4.32Å; W351-L480 HydrophobicContact CZ3-CD1 3.5Å
352	I	89.5	Confident	75.9	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-13.2	-176.3	-145.5	-179	0	0	0	113.1	F349 L350 G354 W356 I383 M449 F473 L480	F349-I352 HydrophobicContact CB-CG2 4.28Å; F349-I352 HydrophobicContact CD1-CG2 4.35Å; F349-I352 WeakPolarHBondContact O-CG2 3.23Å; F349-I352 PolarHBondContact O-N 2.97Å; L350-I352 VanDerWaalsContact C-N 3.3Å; L350-I352 PolarHBondContact O-N 3Å; I352-G354 PolarHBondContact O-N 2.87Å; I352-W356 PolarHBondContact O-NE1 2.84Å; I352-I383 HydrophobicContact CB-CD1 4.16Å; I352-I383 HydrophobicContact CD1-CD1 3.51Å; I352-I383 HydrophobicContact CG1-CD1 3.59Å; I352-I383 HydrophobicContact CG2-CD1 3.69Å; I352-I383 HydrophobicContact CG2-CG2 4.22Å; I352-M449 HydrophobicContact CD1-CE 4.31Å; I352-F473 HydrophobicContact CD1-CB 4.41Å; I352-F473 HydrophobicContact CD1-CD1 4.2Å; I352-F473 HydrophobicContact CD1-CG 4.37Å; I352-L480 HydrophobicContact CD1-CD1 4.12Å; I352-L480 HydrophobicContact CD1-CD2 4.1Å; I352-L480 HydrophobicContact CG1-CD1 3.87Å; I352-L480 HydrophobicContact CG1-CD2 3.73Å; I352-L480 HydrophobicContact CG1-CG 4.48Å
353	I	88.8	Confident	75.1	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.269	C	S	.	.			trans	-68.3	131.7	-177.4	-64.3	169.1	0	0	0	111.8	L342 F349 L350 I383 L396 K502 F506 I508	L342-I353 HydrophobicContact CD1-CD1 3.93Å; L342-I353 HydrophobicContact CD2-CD1 3.76Å; F349-I353 WeakPolarHBondContact O-CG1 3.31Å; F349-I353 PolarHBondContact O-N 2.98Å; L350-I353 HydrophobicContact CD2-CD1 4.48Å; L350-I353 PolarHBondContact O-N 3.15Å; I353-I383 HydrophobicContact CG1-CG2 4.46Å; I353-I383 WeakPolarHBondContact CG2-O 3.04Å; I353-L396 HydrophobicContact CD1-CD1 4.08Å; I353-L396 HydrophobicContact CD1-CD2 4.12Å; I353-L396 HydrophobicContact CG1-CD1 3.84Å; I353-L396 HydrophobicContact CG1-CD2 4.46Å; I353-K502 WeakPolarHBondContact O-CE 3.26Å; I353-K502 PolarHBondContact O-NZ 2.94Å; I353-F506 HydrophobicContact CG2-CB 4.34Å; I353-F506 HydrophobicContact CG2-CD2 3.77Å; I353-I508 HydrophobicContact CB-CD1 4.27Å; I353-I508 HydrophobicContact CD1-CD1 3.93Å; I353-I508 HydrophobicContact CG2-CD1 3.25Å
354	G	89.7	Confident	74.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.4	-170.7	-178.8	0	0	0	0	0	112.4	I352 T382 I383 K504	I352-G354 PolarHBondContact O-N 2.87Å; G354-T382 WeakPolarHBondContact O-CA 3.42Å; G354-I383 PolarHBondContact N-O 2.87Å; G354-I383 PolarHBondContact O-N 2.82Å; G354-K504 CarbonylContact C-O 3.47Å; G354-K504 VanDerWaalsContact CA-O 3.29Å; G354-K504 WeakPolarHBondContact CA-O 3.01Å
355	T	91.6	Very high	74.1	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	166.6	-53.6	0	0	0	0	109.5	L381 T382 S503 K504 F506	T355-L381 CarbonylContact C-O 3.56Å; T355-L381 WeakPolarHBondContact CA-O 3.27Å; T355-T382 WeakPolarHBondContact CG2-OG1 3.27Å; T355-T382 PolarHBondContact OG1-OG1 2.84Å; T355-S503 WeakPolarHBondContact CB-OG 3.3Å; T355-S503 VanDerWaalsContact CG2-OG 3.31Å; T355-S503 WeakPolarHBondContact CG2-OG 3.38Å; T355-S503 PolarHBondContact O-N 3.37Å; T355-S503 PolarHBondContact O-OG 2.03Å; T355-K504 PolarHBondContact N-O 3.01Å; T355-K504 PolarHBondContact O-N 2.76Å; T355-F506 WeakPolarHBondContact OG1-CZ 3.47Å
356	W	92	Very high	73.7	Confident	6 Å²	6	51.6 Å²	51.6	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131	-177.2	-61.6	95.7	0	0	0	108.6	I352 E380 L381 L475 L480 F500 M501 K502	I352-W356 PolarHBondContact O-NE1 2.84Å; W356-E380 CarbonylContact O-C 3.53Å; W356-E380 WeakPolarHBondContact O-CA 3.3Å; W356-L381 HydrophobicContact CB-CB 4.3Å; W356-L381 PolarHBondContact N-O 2.76Å; W356-L381 PolarHBondContact O-N 3.2Å; W356-L475 HydrophobicContact CH2-CD1 3.7Å; W356-L475 HydrophobicContact CZ2-CD1 4.49Å; W356-L475 HydrophobicContact CZ3-CD1 4.39Å; W356-L480 HydrophobicContact CB-CD2 4.29Å; W356-L480 HydrophobicContact CD2-CB 3.69Å; W356-L480 HydrophobicContact CD2-CD2 3.86Å; W356-L480 HydrophobicContact CD2-CG 4.45Å; W356-L480 HydrophobicContact CE3-CB 3.46Å; W356-L480 VanDerWaalsContact CE3-CB 3.46Å; W356-L480 HydrophobicContact CE3-CD2 4.49Å; W356-L480 HydrophobicContact CG-CB 4.31Å; W356-L480 HydrophobicContact CG-CD2 3.74Å; W356-L480 HydrophobicContact CH2-CB 4.09Å; W356-L480 HydrophobicContact CZ2-CB 4.29Å; W356-L480 HydrophobicContact CZ3-CB 3.68Å; W356-F500 HydrophobicContact CB-CB 3.68Å; W356-F500 HydrophobicContact CB-CD1 4.17Å; W356-F500 HydrophobicContact CB-CG 4.17Å; W356-F500 HydrophobicContact CE3-CB 4.44Å; W356-M501 CarbonylContact C-O 3.55Å; W356-M501 WeakPolarHBondContact CA-O 3.39Å; W356-K502 HydrophobicContact CD2-CB 4.37Å; W356-K502 HydrophobicContact CD2-CG 4.34Å; W356-K502 HydrophobicContact CE3-CB 3.78Å; W356-K502 HydrophobicContact CE3-CG 4.24Å; W356-K502 HydrophobicContact CH2-CB 4.08Å; W356-K502 HydrophobicContact CH2-CD 3.86Å; W356-K502 HydrophobicContact CH2-CG 4.2Å; W356-K502 HydrophobicContact CZ2-CD 3.91Å; W356-K502 HydrophobicContact CZ2-CG 4.29Å; W356-K502 HydrophobicContact CZ3-CB 3.62Å; W356-K502 HydrophobicContact CZ3-CD 4.3Å; W356-K502 HydrophobicContact CZ3-CG 4.17Å
357	R	90.6	Very high	72.8	Confident	78 Å²	78	51.9 Å²	51.9	29%	0.294	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.9	-173.7	-176.7	176.4	173.8	124.4	-6.6	110.6	E359 I378 E379 E380 M501	R357-E359 IonicContact CZ-OE1 3.04Å; R357-E359 IonicContact NE-OE1 3.53Å; R357-E359 PolarHBondContact NE-OE1 3.4Å; R357-E359 VanDerWaalsContact NE-OE1 3.1Å; R357-E359 IonicContact NH2-OE1 3.95Å; R357-E359 PolarHBondContact NH2-OE1 3.07Å; R357-I378 HydrophobicContact CG-CG2 4.3Å; R357-E379 WeakPolarHBondContact CA-O 3.46Å; R357-E380 HydrophobicContact CB-CG 4.23Å; R357-E380 HydrophobicContact CG-CG 3.95Å; R357-E380 IonicContact CZ-OE1 2.87Å; R357-E380 IonicContact NH1-OE1 3.46Å; R357-E380 PolarHBondContact NH1-OE1 3.05Å; R357-M501 PolarHBondContact N-O 3.5Å; R357-M501 PolarHBondContact O-N 2.75Å
358	V	83.7	Confident	71.9	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.9	173.1	66.9	0	0	0	0	110.1	Y360 E379 Y499 F500	V358-Y360 HydrophobicContact CB-CE2 4.06Å; V358-Y360 HydrophobicContact CG1-CD2 4.12Å; V358-Y360 HydrophobicContact CG1-CE2 3.5Å; V358-Y360 VanDerWaalsContact CG1-CE2 3.5Å; V358-Y360 HydrophobicContact CG2-CD2 4.08Å; V358-Y360 HydrophobicContact CG2-CE1 4.25Å; V358-Y360 HydrophobicContact CG2-CE2 3.37Å; V358-Y360 VanDerWaalsContact CG2-CZ 3.46Å; V358-Y360 WeakPolarHBondContact CG2-OH 3.36Å; V358-E379 HydrophobicContact CG1-CB 3.82Å; V358-E379 PolarHBondContact N-O 2.88Å; V358-E379 PolarHBondContact O-N 2.83Å; V358-Y499 VanDerWaalsContact CG2-O 3.27Å; V358-Y499 WeakPolarHBondContact CG2-O 3.38Å; V358-F500 HydrophobicContact CB-CB 4.48Å; V358-F500 HydrophobicContact CB-CD1 3.77Å; V358-F500 HydrophobicContact CB-CE1 4.18Å; V358-F500 HydrophobicContact CB-CG 4.08Å; V358-F500 HydrophobicContact CG1-CD1 3.53Å; V358-F500 HydrophobicContact CG1-CE1 3.42Å; V358-F500 VanDerWaalsContact CG1-CE1 3.42Å; V358-F500 HydrophobicContact CG1-CG 4.17Å; V358-F500 HydrophobicContact CG1-CZ 3.96Å
359	E	79	Confident	70.7	Confident	87 Å²	87	53 Å²	53	41%	0.407	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.9	177.2	-49.5	-162.5	167.7	0	0	110.1	R357 I378 R405	R357-E359 IonicContact CZ-OE1 3.04Å; R357-E359 IonicContact NE-OE1 3.53Å; R357-E359 PolarHBondContact NE-OE1 3.4Å; R357-E359 VanDerWaalsContact NE-OE1 3.1Å; R357-E359 IonicContact NH2-OE1 3.95Å; R357-E359 PolarHBondContact NH2-OE1 3.07Å; E359-I378 HydrophobicContact CB-CG1 4.49Å; E359-I378 HydrophobicContact CG-CG1 4.05Å; E359-I378 HydrophobicContact CG-CG2 4.45Å; E359-R405 IonicContact OE2-CZ 2.91Å; E359-R405 IonicContact OE2-NH2 2.83Å; E359-R405 PolarHBondContact OE2-NH2 2.93Å
360	Y	69.7	Low	69.5	Low	29 Å²	29	53.2 Å²	53.2	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.6	-177.3	-73.6	-69	0	0	0	112.5	V358 L364 G376 Y377 K498 Y499	V358-Y360 HydrophobicContact CB-CE2 4.06Å; V358-Y360 HydrophobicContact CG1-CD2 4.12Å; V358-Y360 HydrophobicContact CG1-CE2 3.5Å; V358-Y360 VanDerWaalsContact CG1-CE2 3.5Å; V358-Y360 HydrophobicContact CG2-CD2 4.08Å; V358-Y360 HydrophobicContact CG2-CE1 4.25Å; V358-Y360 HydrophobicContact CG2-CE2 3.37Å; V358-Y360 VanDerWaalsContact CG2-CZ 3.46Å; V358-Y360 WeakPolarHBondContact CG2-OH 3.36Å; Y360-L364 HydrophobicContact CD1-CD1 3.23Å; Y360-L364 HydrophobicContact CE1-CD1 3.91Å; Y360-L364 HydrophobicContact CG-CD1 4Å; Y360-G376 VanDerWaalsContact O-CA 3.27Å; Y360-G376 WeakPolarHBondContact O-CA 3.36Å; Y360-Y377 HydrophobicContact CD2-CD2 4.26Å; Y360-Y377 HydrophobicContact CD2-CE1 4.16Å; Y360-Y377 AromaticContact CD2-CE2 3.45Å; Y360-Y377 HydrophobicContact CD2-CE2 3.45Å; Y360-Y377 VanDerWaalsContact CD2-CE2 3.45Å; Y360-Y377 AromaticContact CD2-CZ 3.36Å; Y360-Y377 WeakPolarHBondContact CD2-OH 3.41Å; Y360-Y377 HydrophobicContact CE2-CE2 4.18Å; Y360-Y377 HydrophobicContact CG-CE1 4.25Å; Y360-Y377 HydrophobicContact CG-CE2 4.31Å; Y360-Y377 AromaticContact CG-CZ 3.87Å; Y360-Y377 PolarHBondContact N-O 3.25Å; Y360-Y377 PolarHBondContact O-N 2.79Å; Y360-K498 HydrophobicContact CE2-CB 4.4Å; Y360-K498 HydrophobicContact CE2-CD 4.07Å; Y360-K498 HydrophobicContact CE2-CG 4.03Å; Y360-K498 WeakPolarHBondContact OH-CA 3.27Å; Y360-K498 WeakPolarHBondContact OH-CB 3.4Å; Y360-K498 VanDerWaalsContact OH-CG 3.24Å; Y360-K498 WeakPolarHBondContact OH-CG 3.2Å; Y360-Y499 PolarHBondContact OH-N 2.81Å
361	G	55.6	Low	67.8	Low	40 Å²	40	53.4 Å²	53.4	41%	0.412	29%	0.288	S	S	.	.			trans	-84.8	-165.9	171.8	0	0	0	0	0	112.9
362	R	49.1	Very low	66.2	Low	178 Å²	178	55.1 Å²	55.1	67%	0.672	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	152.5	177.8	-68.1	-170.1	169.1	167.4	1.8	112.1	S374	R362-S374 WeakPolarHBondContact CD-O 3.43Å; R362-S374 VanDerWaalsContact CG-O 3.23Å; R362-S374 WeakPolarHBondContact CG-O 3.02Å; R362-S374 PolarHBondContact NE-O 3.35Å
363	N	48.5	Very low	64.4	Low	165 Å²	165	57.2 Å²	57.2	88%	0.882	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	28.6	166.9	-58.2	-9	0	0	0	117.9
364	L	49	Very low	62.8	Low	91 Å²	91	60 Å²	60	48%	0.476	33%	0.333	S	S	.	.			trans	-105.7	140.9	175.1	-74.6	165.7	0	0	0	113.4	Y360	Y360-L364 HydrophobicContact CD1-CD1 3.23Å; Y360-L364 HydrophobicContact CE1-CD1 3.91Å; Y360-L364 HydrophobicContact CG-CD1 4Å
365	S	49	Very low	61.6	Low	44 Å²	44	67.8 Å²	67.8	31%	0.308	36%	0.363	S	S	.	.			trans	-73.1	117.2	-173.8	33.3	0	0	0	0	110.6
366	F	53.3	Low	60.6	Low	52 Å²	52	67.1 Å²	67.1	23%	0.228	36%	0.359	C	S	.	.	S	Bend	trans	80.6	132.6	172.4	-154.5	-90.2	0	0	0	117	V368 Y377 I486 F496	F366-V368 HydrophobicContact CD2-CG2 3.81Å; F366-V368 HydrophobicContact CE2-CG2 4.19Å; F366-Y377 PolarHBondContact O-OH 2.92Å; F366-I486 HydrophobicContact CD1-CD1 4.16Å; F366-I486 HydrophobicContact CD2-CD1 3.69Å; F366-I486 HydrophobicContact CE1-CD1 4.21Å; F366-I486 HydrophobicContact CE2-CD1 3.77Å; F366-I486 HydrophobicContact CG-CD1 3.92Å; F366-I486 HydrophobicContact CZ-CD1 4.03Å; F366-F496 HydrophobicContact CB-CD1 4.06Å; F366-F496 HydrophobicContact CB-CE1 3.5Å; F366-F496 HydrophobicContact CB-CZ 3.83Å; F366-F496 HydrophobicContact CD1-CE1 4.4Å; F366-F496 AromaticContact CD1-CZ 3.98Å; F366-F496 HydrophobicContact CD1-CZ 3.98Å; F366-F496 AromaticContact CG-CE1 4Å; F366-F496 HydrophobicContact CG-CE1 4Å; F366-F496 HydrophobicContact CG-CZ 4.05Å
367	P	53.7	Low	59.8	Low	6 Å²	6	67.2 Å²	67.2	4%	0.039	36%	0.359	C	S	.	.			cis	-79.7	121.7	3	36.7	-37.2	0	0	0	111.4	N369 L370 T402	P367-N369 VanDerWaalsContact CB-OD1 3.3Å; P367-N369 WeakPolarHBondContact CB-OD1 3.2Å; P367-N369 PolarHBondContact O-N 3.39Å; P367-L370 HydrophobicContact CG-CD1 3.56Å; P367-L370 HydrophobicContact CG-CG 3.95Å; P367-L370 PolarHBondContact O-N 3.18Å; P367-T402 HydrophobicContact CG-CG2 3.84Å
368	V	51.1	Low	59.5	Low	100 Å²	100	65 Å²	65	61%	0.606	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.3	-176.9	-102.7	0	0	0	0	113.1	F366	F366-V368 HydrophobicContact CD2-CG2 3.81Å; F366-V368 HydrophobicContact CE2-CG2 4.19Å
369	N	51.2	Low	59.7	Low	82 Å²	82	64.8 Å²	64.8	44%	0.439	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	1.9	-176.7	64.1	-3.2	0	0	0	113.7	P367 A371	P367-N369 VanDerWaalsContact CB-OD1 3.3Å; P367-N369 WeakPolarHBondContact CB-OD1 3.2Å; P367-N369 PolarHBondContact O-N 3.39Å; N369-A371 VanDerWaalsContact C-N 3.35Å; N369-A371 PolarHBondContact O-N 3.42Å
370	L	55.5	Low	60.2	Low	6 Å²	6	62.9 Å²	62.9	3%	0.031	34%	0.343	C	S	.	.			trans	-72.9	94.8	167.6	-81.3	166.9	0	0	0	108.3	P367 D372 S373 Y377 T402	P367-L370 HydrophobicContact CG-CD1 3.56Å; P367-L370 HydrophobicContact CG-CG 3.95Å; P367-L370 PolarHBondContact O-N 3.18Å; L370-D372 PolarHBondContact O-N 3.17Å; L370-S373 PolarHBondContact O-N 2.91Å; L370-S373 VanDerWaalsContact O-N 3.09Å; L370-S373 PolarHBondContact O-OG 2.99Å; L370-Y377 HydrophobicContact CD1-CG 4.19Å; L370-T402 HydrophobicContact CD1-CG2 3.76Å
371	A	46.5	Very low	61.1	Low	99 Å²	99	62 Å²	62	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-16.4	-176.4	0	0	0	0	0	115.4	N369 N410	N369-A371 VanDerWaalsContact C-N 3.35Å; N369-A371 PolarHBondContact O-N 3.42Å; A371-N410 PolarHBondContact N-ND2 2.9Å
372	D	53.3	Low	62.8	Low	61 Å²	61	61.5 Å²	61.5	33%	0.326	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	55.8	176	-168	12.4	0	0	0	111.3	L370 S374 S404 S406	L370-D372 PolarHBondContact O-N 3.17Å; D372-S374 PolarHBondContact O-N 2.96Å; D372-S374 PolarHBondContact OD1-OG 3.13Å; D372-S404 PolarHBondContact O-OG 3.13Å; D372-S406 PolarHBondContact O-OG 2.73Å; D372-S406 PolarHBondContact OD1-OG 2.87Å; D372-S406 VanDerWaalsContact OD2-CB 3.28Å; D372-S406 WeakPolarHBondContact OD2-CB 3.1Å; D372-S406 PolarHBondContact OD2-OG 3.1Å
373	S	52	Low	64.7	Low	48 Å²	48	53.7 Å²	53.7	34%	0.336	30%	0.3	S	S	.	.			trans	-80	13.1	169.8	60.7	0	0	0	0	112.8	L370 R375 G376	L370-S373 PolarHBondContact O-N 2.91Å; L370-S373 VanDerWaalsContact O-N 3.09Å; L370-S373 PolarHBondContact O-OG 2.99Å; S373-R375 PolarHBondContact O-N 2.04Å; S373-G376 PolarHBondContact O-N 2.91Å
374	S	55	Low	66.4	Low	64 Å²	64	47.4 Å²	47.4	45%	0.448	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.1	-177.6	70.8	0	0	0	0	114.3	R362 D372	R362-S374 WeakPolarHBondContact CD-O 3.43Å; R362-S374 VanDerWaalsContact CG-O 3.23Å; R362-S374 WeakPolarHBondContact CG-O 3.02Å; R362-S374 PolarHBondContact NE-O 3.35Å; D372-S374 PolarHBondContact O-N 2.96Å; D372-S374 PolarHBondContact OD1-OG 3.13Å
375	R	63.6	Low	67.6	Low	165 Å²	165	43.9 Å²	43.9	62%	0.623	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	10.4	173.8	-62.6	-169.6	-179.4	-179.3	-0.6	113.4	S373 R405	S373-R375 PolarHBondContact O-N 2.04Å; R375-R405 HydrophobicContact CB-CB 4.44Å; R375-R405 VanDerWaalsContact O-CD 3.3Å; R375-R405 WeakPolarHBondContact O-CD 3.42Å
376	G	70.7	Confident	68.2	Low	1 Å²	1	42.7 Å²	42.7	1%	0.01	24%	0.24	C	C	.	.			trans	85.9	-171.7	-174.7	0	0	0	0	0	113.7	Y360 S373 R405	Y360-G376 VanDerWaalsContact O-CA 3.27Å; Y360-G376 WeakPolarHBondContact O-CA 3.36Å; S373-G376 PolarHBondContact O-N 2.91Å; G376-R405 WeakPolarHBondContact O-CB 3.38Å; G376-R405 PolarHBondContact O-N 2.79Å; G376-R405 VanDerWaalsContact O-N 3.09Å
377	Y	76.2	Confident	68.3	Low	8 Å²	8	49 Å²	49	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.5	-176	62.6	-87.7	0	0	0	110.9	Y360 F366 L370 E379 T402 I403	Y360-Y377 HydrophobicContact CD2-CD2 4.26Å; Y360-Y377 HydrophobicContact CD2-CE1 4.16Å; Y360-Y377 AromaticContact CD2-CE2 3.45Å; Y360-Y377 HydrophobicContact CD2-CE2 3.45Å; Y360-Y377 VanDerWaalsContact CD2-CE2 3.45Å; Y360-Y377 AromaticContact CD2-CZ 3.36Å; Y360-Y377 WeakPolarHBondContact CD2-OH 3.41Å; Y360-Y377 HydrophobicContact CE2-CE2 4.18Å; Y360-Y377 HydrophobicContact CG-CE1 4.25Å; Y360-Y377 HydrophobicContact CG-CE2 4.31Å; Y360-Y377 AromaticContact CG-CZ 3.87Å; Y360-Y377 PolarHBondContact N-O 3.25Å; Y360-Y377 PolarHBondContact O-N 2.79Å; F366-Y377 PolarHBondContact O-OH 2.92Å; L370-Y377 HydrophobicContact CD1-CG 4.19Å; Y377-E379 HydrophobicContact CD2-CB 4.36Å; Y377-E379 HydrophobicContact CE2-CB 4.32Å; Y377-T402 HydrophobicContact CD2-CG2 3.37Å; Y377-T402 HydrophobicContact CE2-CG2 3.96Å; Y377-T402 HydrophobicContact CG-CG2 4.02Å; Y377-I403 CarbonylContact C-O 3.38Å; Y377-I403 VanDerWaalsContact CA-O 3.26Å; Y377-I403 WeakPolarHBondContact CA-O 3.37Å; Y377-I403 WeakPolarHBondContact CB-O 3.29Å
378	I	84.8	Confident	68	Low	30 Å²	30	53.8 Å²	53.8	15%	0.154	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.3	170.7	-64.4	159.8	0	0	0	106.7	R357 E359 T402 I403 R405	R357-I378 HydrophobicContact CG-CG2 4.3Å; E359-I378 HydrophobicContact CB-CG1 4.49Å; E359-I378 HydrophobicContact CG-CG1 4.05Å; E359-I378 HydrophobicContact CG-CG2 4.45Å; I378-T402 CarbonylContact O-C 3.57Å; I378-T402 WeakPolarHBondContact O-CA 3.33Å; I378-I403 PolarHBondContact N-O 3.43Å; I378-I403 PolarHBondContact O-N 3.12Å; I378-R405 HydrophobicContact CD1-CG 4.31Å; I378-R405 HydrophobicContact CG1-CG 4.14Å
379	E	85.9	Confident	67.9	Low	5 Å²	5	54.3 Å²	54.3	2%	0.023	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131	172.8	-168.7	166.3	86.7	0	0	110.7	R357 V358 Y377 V400 K401 T402 K498 F500	R357-E379 WeakPolarHBondContact CA-O 3.46Å; V358-E379 HydrophobicContact CG1-CB 3.82Å; V358-E379 PolarHBondContact N-O 2.88Å; V358-E379 PolarHBondContact O-N 2.83Å; Y377-E379 HydrophobicContact CD2-CB 4.36Å; Y377-E379 HydrophobicContact CE2-CB 4.32Å; E379-V400 HydrophobicContact CG-CG1 3.75Å; E379-K401 WeakPolarHBondContact CA-O 3.47Å; E379-T402 HydrophobicContact CB-CG2 4.27Å; E379-T402 HydrophobicContact CG-CG2 4.39Å; E379-T402 WeakPolarHBondContact OE2-CG2 3.47Å; E379-T402 PolarHBondContact OE2-OG1 2.99Å; E379-K498 WeakPolarHBondContact OE1-CE 3.24Å; E379-K498 IonicContact OE1-NZ 2.88Å; E379-K498 PolarHBondContact OE1-NZ 2.83Å; E379-K498 IonicContact OE2-NZ 3.1Å; E379-F500 HydrophobicContact CB-CE1 4.33Å; E379-F500 HydrophobicContact CG-CE1 4.14Å; E379-F500 WeakPolarHBondContact OE1-CZ 3.01Å
380	E	90.4	Very high	67.1	Low	47 Å²	47	56.5 Å²	56.5	22%	0.22	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.6	175.2	-72.9	179.5	142.9	0	0	109.4	W356 R357 V400 K401	W356-E380 CarbonylContact O-C 3.53Å; W356-E380 WeakPolarHBondContact O-CA 3.3Å; R357-E380 HydrophobicContact CB-CG 4.23Å; R357-E380 HydrophobicContact CG-CG 3.95Å; R357-E380 IonicContact CZ-OE1 2.87Å; R357-E380 IonicContact NH1-OE1 3.46Å; R357-E380 PolarHBondContact NH1-OE1 3.05Å; E380-V400 CarbonylContact O-C 3.56Å; E380-V400 WeakPolarHBondContact O-CA 3.42Å; E380-K401 PolarHBondContact N-O 2.81Å; E380-K401 PolarHBondContact O-N 3.03Å
381	L	89.5	Confident	66.6	Low	10 Å²	10	61.1 Å²	61.1	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114	170.8	167.5	63.5	0	0	0	108.2	T355 W356 I383 S399 V400 F473 L480 F500	T355-L381 CarbonylContact C-O 3.56Å; T355-L381 WeakPolarHBondContact CA-O 3.27Å; W356-L381 HydrophobicContact CB-CB 4.3Å; W356-L381 PolarHBondContact N-O 2.76Å; W356-L381 PolarHBondContact O-N 3.2Å; L381-I383 HydrophobicContact CD1-CD1 4.24Å; L381-I383 HydrophobicContact CD1-CG1 3.95Å; L381-I383 HydrophobicContact CD2-CD1 4.29Å; L381-I383 HydrophobicContact CG-CD1 4.32Å; L381-I383 HydrophobicContact CG-CG1 4.23Å; L381-S399 WeakPolarHBondContact CA-O 3.4Å; L381-V400 HydrophobicContact CD1-CG2 3.79Å; L381-F473 HydrophobicContact CD2-CE1 4.37Å; L381-L480 HydrophobicContact CD2-CD2 3.71Å; L381-F500 HydrophobicContact CB-CD1 4.39Å; L381-F500 HydrophobicContact CB-CE1 4.06Å
382	T	90.5	Very high	66.6	Low	30 Å²	30	64.8 Å²	64.8	18%	0.184	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.1	173.5	-58.3	0	0	0	0	109	G354 T355 F398 S399 F506	G354-T382 WeakPolarHBondContact O-CA 3.42Å; T355-T382 WeakPolarHBondContact CG2-OG1 3.27Å; T355-T382 PolarHBondContact OG1-OG1 2.84Å; T382-F398 CarbonylContact O-C 3.5Å; T382-F398 WeakPolarHBondContact O-CA 3.19Å; T382-S399 WeakPolarHBondContact CB-OG 3.37Å; T382-S399 PolarHBondContact N-O 3.15Å; T382-S399 PolarHBondContact O-N 3.37Å; T382-F506 HydrophobicContact CG2-CE2 3.95Å; T382-F506 HydrophobicContact CG2-CZ 3.74Å
383	I	88.8	Confident	66.6	Low	13 Å²	13	66 Å²	66	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.8	172.9	-58.9	172.9	0	0	0	107.6	I352 I353 G354 L381 L396 N397 F398 F506	I352-I383 HydrophobicContact CB-CD1 4.16Å; I352-I383 HydrophobicContact CD1-CD1 3.51Å; I352-I383 HydrophobicContact CG1-CD1 3.59Å; I352-I383 HydrophobicContact CG2-CD1 3.69Å; I352-I383 HydrophobicContact CG2-CG2 4.22Å; I353-I383 HydrophobicContact CG1-CG2 4.46Å; I353-I383 WeakPolarHBondContact CG2-O 3.04Å; G354-I383 PolarHBondContact N-O 2.87Å; G354-I383 PolarHBondContact O-N 2.82Å; L381-I383 HydrophobicContact CD1-CD1 4.24Å; L381-I383 HydrophobicContact CD1-CG1 3.95Å; L381-I383 HydrophobicContact CD2-CD1 4.29Å; L381-I383 HydrophobicContact CG-CD1 4.32Å; L381-I383 HydrophobicContact CG-CG1 4.23Å; I383-L396 HydrophobicContact CG2-CB 3.96Å; I383-L396 HydrophobicContact CG2-CD1 3.72Å; I383-L396 HydrophobicContact CG2-CG 4.43Å; I383-N397 CarbonylContact C-O 3.59Å; I383-N397 WeakPolarHBondContact CA-O 3.49Å; I383-F398 HydrophobicContact CG1-CB 4.01Å; I383-F506 WeakPolarHBondContact O-CD2 2.96Å; I383-F506 WeakPolarHBondContact O-CE2 3.36Å
384	S	84.8	Confident	67.1	Low	33 Å²	33	65.3 Å²	65.3	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.8	-169.1	57.8	0	0	0	0	112.5	L396 N397	S384-L396 CarbonylContact O-C 3.51Å; S384-L396 WeakPolarHBondContact O-CA 3.29Å; S384-N397 PolarHBondContact N-O 2.87Å; S384-N397 PolarHBondContact O-N 3Å
385	N	74.1	Confident	67.9	Low	17 Å²	17	62.6 Å²	62.6	9%	0.091	31%	0.305	C	S	.	.			trans	-62.4	149	173.8	-166.7	10.3	0	0	0	111	D340 T341 I508	D340-N385 PolarHBondContact O-ND2 3.27Å; T341-N385 PolarHBondContact O-ND2 3.47Å; N385-I508 HydrophobicContact CB-CD1 4.49Å
386	Q	62	Low	68.5	Low	20 Å²	20	54.8 Å²	54.8	9%	0.093	28%	0.275	C	S	.	.			trans	-76.4	124.8	175.4	75.4	-60.4	-39.5	0	0	111.3	L389 Y395	Q386-L389 HydrophobicContact CG-CD2 3.91Å; Q386-L389 HydrophobicContact CG-CG 4.39Å; Q386-Y395 HydrophobicContact CB-CD2 4.36Å; Q386-Y395 HydrophobicContact CB-CE2 3.81Å; Q386-Y395 HydrophobicContact CG-CE1 4.48Å; Q386-Y395 HydrophobicContact CG-CE2 4.41Å; Q386-Y395 PolarHBondContact OE1-O 2.8Å
387	R	55.4	Low	69	Low	185 Å²	185	57 Å²	57	70%	0.698	29%	0.286	S	S	*	.	S	Bend	trans	-81.9	-18.2	169.9	-69	-174.9	172.3	173.6	0.4	113	D340	D340-R387 IonicContact OD2-CZ 3.11Å; D340-R387 IonicContact OD2-NE 3.92Å; D340-R387 PolarHBondContact OD2-NE 3.34Å; D340-R387 VanDerWaalsContact OD2-NE 3.16Å; D340-R387 IonicContact OD2-NH2 2.73Å; D340-R387 PolarHBondContact OD2-NH2 2.75Å
388	V	47.7	Very low	69.3	Low	105 Å²	105	57.7 Å²	57.7	64%	0.636	29%	0.29	S	S	*	.	S	Bend	trans	-135.8	122.2	179.1	-177.5	0	0	0	0	107.7	M390 Y395	V388-M390 PolarHBondContact O-N 2.83Å; V388-Y395 PolarHBondContact O-OH 2.79Å
389	L	47.1	Very low	69.2	Low	111 Å²	111	57.9 Å²	57.9	58%	0.581	29%	0.294	S	S	*	.			trans	-74.8	102.8	172.5	-72.4	163.1	0	0	0	108.8	Q386	Q386-L389 HydrophobicContact CG-CD2 3.91Å; Q386-L389 HydrophobicContact CG-CG 4.39Å
390	M	36.2	Very low	69.1	Low	129 Å²	129	59 Å²	59	64%	0.635	30%	0.301	S	S	*	.	S	Bend	trans	-83.3	-22.1	173.1	-64.4	-177	71.1	0	0	112.3	V388 Y395	V388-M390 PolarHBondContact O-N 2.83Å; M390-Y395 VanDerWaalsContact CB-OH 3.28Å; M390-Y395 WeakPolarHBondContact CB-OH 3.44Å; M390-Y395 WeakPolarHBondContact CG-OH 3.43Å; M390-Y395 PolarHBondContact N-OH 3.49Å
391	F	44.3	Very low	68.8	Low	103 Å²	103	60.3 Å²	60.3	45%	0.452	31%	0.306	S	S	.	.	S	Bend	trans	-125.7	143.9	179.8	-52	-67.6	0	0	0	107.9	M393 Y395 F417	F391-M393 PolarHBondContact O-N 3.47Å; F391-Y395 HydrophobicContact CB-CD1 4.28Å; F391-Y395 HydrophobicContact CB-CE1 4.08Å; F391-Y395 AromaticContact CD2-CD1 3.87Å; F391-Y395 HydrophobicContact CD2-CD1 3.87Å; F391-Y395 AromaticContact CD2-CE1 3.57Å; F391-Y395 HydrophobicContact CD2-CE1 3.57Å; F391-Y395 HydrophobicContact CE2-CE1 4.49Å; F391-Y395 HydrophobicContact CG-CE1 4.28Å; F391-F417 AromaticContact CE2-CD2 3.99Å; F391-F417 HydrophobicContact CE2-CD2 3.99Å; F391-F417 HydrophobicContact CE2-CE1 4.5Å; F391-F417 AromaticContact CE2-CE2 3.82Å; F391-F417 HydrophobicContact CE2-CE2 3.82Å; F391-F417 HydrophobicContact CE2-CG 4.41Å; F391-F417 HydrophobicContact CE2-CZ 4.08Å; F391-F417 HydrophobicContact CZ-CE2 4.26Å
392	N	46.1	Very low	68.4	Low	175 Å²	175	60 Å²	60	94%	0.936	31%	0.305	S	S	*	.	S	Bend	trans	-63.9	6.6	-179.6	-70.4	-11	0	0	0	114.1
393	M	53.2	Low	68.1	Low	86 Å²	86	59.8 Å²	59.8	42%	0.424	30%	0.302	S	S	.	.	S	Bend	trans	-118.7	140.5	179.3	-67.3	-63.4	-63.8	0	0	109.2	F391 Y395 P422	F391-M393 PolarHBondContact O-N 3.47Å; M393-Y395 WeakPolarHBondContact O-CD1 3.37Å; M393-P422 HydrophobicContact CE-CB 4.11Å; M393-P422 HydrophobicContact CE-CG 3.63Å
394	P	63	Low	67.6	Low	35 Å²	35	59.2 Å²	59.2	23%	0.227	30%	0.299	C	S	.	.			trans	-63.8	138	173.4	-26.1	38.2	0	0	0	112.9	P343 V345 L346 T419	P343-P394 HydrophobicContact CB-CB 3.82Å; P343-P394 HydrophobicContact CB-CG 4.07Å; P343-P394 HydrophobicContact CG-CB 3.97Å; P343-P394 HydrophobicContact CG-CG 4.45Å; V345-P394 HydrophobicContact CG1-CB 3.56Å; V345-P394 HydrophobicContact CG1-CG 3.62Å; L346-P394 HydrophobicContact CD1-CB 3.96Å; L346-P394 HydrophobicContact CD2-CB 4.43Å; L346-P394 HydrophobicContact CG-CB 4.05Å; P394-T419 PolarHBondContact O-OG1 2.79Å; P394-T419 VanDerWaalsContact O-OG1 3.05Å
395	Y	71.7	Confident	67.2	Low	7 Å²	7	62.9 Å²	62.9	3%	0.027	31%	0.308	C	S	.	.			trans	-152.7	145.8	179.5	60.7	-93.4	0	0	0	111.7	Q386 V388 M390 F391 M393 N397 F417 V418	Q386-Y395 HydrophobicContact CB-CD2 4.36Å; Q386-Y395 HydrophobicContact CB-CE2 3.81Å; Q386-Y395 HydrophobicContact CG-CE1 4.48Å; Q386-Y395 HydrophobicContact CG-CE2 4.41Å; Q386-Y395 PolarHBondContact OE1-O 2.8Å; V388-Y395 PolarHBondContact O-OH 2.79Å; M390-Y395 VanDerWaalsContact CB-OH 3.28Å; M390-Y395 WeakPolarHBondContact CB-OH 3.44Å; M390-Y395 WeakPolarHBondContact CG-OH 3.43Å; M390-Y395 PolarHBondContact N-OH 3.49Å; F391-Y395 HydrophobicContact CB-CD1 4.28Å; F391-Y395 HydrophobicContact CB-CE1 4.08Å; F391-Y395 AromaticContact CD2-CD1 3.87Å; F391-Y395 HydrophobicContact CD2-CD1 3.87Å; F391-Y395 AromaticContact CD2-CE1 3.57Å; F391-Y395 HydrophobicContact CD2-CE1 3.57Å; F391-Y395 HydrophobicContact CE2-CE1 4.49Å; F391-Y395 HydrophobicContact CG-CE1 4.28Å; M393-Y395 WeakPolarHBondContact O-CD1 3.37Å; Y395-N397 WeakPolarHBondContact CE2-OD1 3.42Å; Y395-F417 HydrophobicContact CD2-CB 3.88Å; Y395-F417 AromaticContact CD2-CD1 3.36Å; Y395-F417 HydrophobicContact CD2-CD1 3.36Å; Y395-F417 HydrophobicContact CD2-CE1 4.22Å; Y395-F417 AromaticContact CD2-CG 3.9Å; Y395-F417 HydrophobicContact CD2-CG 3.9Å; Y395-F417 AromaticContact CE2-CD1 3.3Å; Y395-F417 HydrophobicContact CE2-CD1 3.3Å; Y395-F417 AromaticContact CE2-CE1 3.69Å; Y395-F417 HydrophobicContact CE2-CE1 3.69Å; Y395-F417 HydrophobicContact CE2-CG 4.19Å; Y395-F417 HydrophobicContact CG-CB 4.31Å; Y395-F417 HydrophobicContact CG-CD1 4.39Å; Y395-V418 CarbonylContact C-O 3.47Å; Y395-V418 WeakPolarHBondContact CA-O 3.26Å; Y395-V418 VanDerWaalsContact CB-O 3.32Å; Y395-V418 WeakPolarHBondContact CB-O 3.34Å
396	L	77.1	Confident	67.3	Low	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	146.1	168.2	-53.2	171.2	0	0	0	110.6	L342 L346 F349 I353 I383 S384 F417 V418	L342-L396 HydrophobicContact CD1-CD2 3.73Å; L346-L396 HydrophobicContact CD1-CD2 3.93Å; L346-L396 HydrophobicContact CD1-CG 4.17Å; F349-L396 HydrophobicContact CB-CD1 3.42Å; F349-L396 VanDerWaalsContact CB-CD1 3.42Å; F349-L396 HydrophobicContact CD1-CD1 4.46Å; F349-L396 HydrophobicContact CD2-CD1 4.03Å; F349-L396 HydrophobicContact CG-CD1 3.75Å; I353-L396 HydrophobicContact CD1-CD1 4.08Å; I353-L396 HydrophobicContact CD1-CD2 4.12Å; I353-L396 HydrophobicContact CG1-CD1 3.84Å; I353-L396 HydrophobicContact CG1-CD2 4.46Å; I383-L396 HydrophobicContact CG2-CB 3.96Å; I383-L396 HydrophobicContact CG2-CD1 3.72Å; I383-L396 HydrophobicContact CG2-CG 4.43Å; S384-L396 CarbonylContact O-C 3.51Å; S384-L396 WeakPolarHBondContact O-CA 3.29Å; L396-F417 CarbonylContact O-C 3.58Å; L396-F417 WeakPolarHBondContact O-CA 3.47Å; L396-V418 HydrophobicContact CB-CG1 3.75Å; L396-V418 HydrophobicContact CD1-CG1 3.89Å; L396-V418 HydrophobicContact CG-CG1 4.02Å; L396-V418 PolarHBondContact N-O 3.33Å; L396-V418 PolarHBondContact O-N 3.35Å
397	N	79.6	Confident	67.9	Low	47 Å²	47	66.1 Å²	66.1	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.6	165.8	-63.6	-54.9	0	0	0	109.2	I383 S384 Y395 F417	I383-N397 CarbonylContact C-O 3.59Å; I383-N397 WeakPolarHBondContact CA-O 3.49Å; S384-N397 PolarHBondContact N-O 2.87Å; S384-N397 PolarHBondContact O-N 3Å; Y395-N397 WeakPolarHBondContact CE2-OD1 3.42Å; N397-F417 WeakPolarHBondContact OD1-CD1 3.39Å; N397-F417 WeakPolarHBondContact OD1-CE1 3.34Å
398	F	84	Confident	69	Low	23 Å²	23	61.8 Å²	61.8	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.8	164.3	80.9	-93.2	0	0	0	112.1	T382 I383 V400 G416 F417 I431 I432	T382-F398 CarbonylContact O-C 3.5Å; T382-F398 WeakPolarHBondContact O-CA 3.19Å; I383-F398 HydrophobicContact CG1-CB 4.01Å; F398-V400 HydrophobicContact CD2-CG2 4.18Å; F398-V400 HydrophobicContact CE2-CG2 4.35Å; F398-G416 PolarHBondContact N-O 3.4Å; F398-G416 PolarHBondContact O-N 3.37Å; F398-F417 VanDerWaalsContact CE1-N 3.35Å; F398-F417 WeakPolarHBondContact CE1-O 3.46Å; F398-I431 HydrophobicContact CE1-CB 4.23Å; F398-I431 HydrophobicContact CE1-CG1 4.37Å; F398-I431 HydrophobicContact CE1-CG2 3.52Å; F398-I431 HydrophobicContact CE2-CG2 4.38Å; F398-I431 HydrophobicContact CZ-CG2 3.36Å; F398-I432 WeakPolarHBondContact CZ-O 3.31Å
399	S	82.4	Confident	70.3	Confident	35 Å²	35	65.8 Å²	65.8	25%	0.245	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.8	168.9	66.8	0	0	0	0	110.3	L381 T382 S414 L415	L381-S399 WeakPolarHBondContact CA-O 3.4Å; T382-S399 WeakPolarHBondContact CB-OG 3.37Å; T382-S399 PolarHBondContact N-O 3.15Å; T382-S399 PolarHBondContact O-N 3.37Å; S399-S414 CarbonylContact C-O 3.52Å; S399-S414 WeakPolarHBondContact CA-O 2.96Å; S399-L415 VanDerWaalsContact CB-CD2 3.46Å
400	V	83	Confident	71.5	Confident	29 Å²	29	62.5 Å²	62.5	18%	0.176	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	170.3	-176	0	0	0	0	108.1	E379 E380 L381 F398 I413 S414	E379-V400 HydrophobicContact CG-CG1 3.75Å; E380-V400 CarbonylContact O-C 3.56Å; E380-V400 WeakPolarHBondContact O-CA 3.42Å; L381-V400 HydrophobicContact CD1-CG2 3.79Å; F398-V400 HydrophobicContact CD2-CG2 4.18Å; F398-V400 HydrophobicContact CE2-CG2 4.35Å; V400-I413 CarbonylContact O-C 3.59Å; V400-I413 VanDerWaalsContact O-CA 3.32Å; V400-I413 WeakPolarHBondContact O-CA 3.01Å; V400-S414 PolarHBondContact N-O 2.76Å; V400-S414 PolarHBondContact O-N 3.39Å
401	K	84.3	Confident	73.4	Confident	73 Å²	73	59.9 Å²	59.9	32%	0.317	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.4	177.3	-175.3	-175.5	-175.3	-169.2	0	109.3	E379 E380 I403 H412 I413	E379-K401 WeakPolarHBondContact CA-O 3.47Å; E380-K401 PolarHBondContact N-O 2.81Å; E380-K401 PolarHBondContact O-N 3.03Å; K401-I403 HydrophobicContact CD-CD1 3.9Å; K401-I403 HydrophobicContact CD-CG1 4.2Å; K401-I403 VanDerWaalsContact CE-CD1 3.5Å; K401-I403 HydrophobicContact CG-CD1 4.14Å; K401-I403 HydrophobicContact CG-CG1 3.88Å; K401-H412 WeakPolarHBondContact CA-O 3.02Å; K401-I413 HydrophobicContact CG-CG1 4.25Å
402	T	81.5	Confident	74.7	Confident	4 Å²	4	56 Å²	56	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.5	174.9	-35.9	0	0	0	0	109.2	P367 L370 Y377 I378 E379 Q411 H412	P367-T402 HydrophobicContact CG-CG2 3.84Å; L370-T402 HydrophobicContact CD1-CG2 3.76Å; Y377-T402 HydrophobicContact CD2-CG2 3.37Å; Y377-T402 HydrophobicContact CE2-CG2 3.96Å; Y377-T402 HydrophobicContact CG-CG2 4.02Å; I378-T402 CarbonylContact O-C 3.57Å; I378-T402 WeakPolarHBondContact O-CA 3.33Å; E379-T402 HydrophobicContact CB-CG2 4.27Å; E379-T402 HydrophobicContact CG-CG2 4.39Å; E379-T402 WeakPolarHBondContact OE2-CG2 3.47Å; E379-T402 PolarHBondContact OE2-OG1 2.99Å; T402-Q411 CarbonylContact O-C 3.56Å; T402-Q411 WeakPolarHBondContact O-CA 3.22Å; T402-Q411 WeakPolarHBondContact O-CB 3.33Å; T402-H412 PolarHBondContact N-O 3.06Å; T402-H412 PolarHBondContact O-N 2.02Å
403	I	83.2	Confident	76	Confident	25 Å²	25	51 Å²	51	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.9	-173.9	-50	173.8	0	0	0	108.9	Y377 I378 K401 P408 Q411	Y377-I403 CarbonylContact C-O 3.38Å; Y377-I403 VanDerWaalsContact CA-O 3.26Å; Y377-I403 WeakPolarHBondContact CA-O 3.37Å; Y377-I403 WeakPolarHBondContact CB-O 3.29Å; I378-I403 PolarHBondContact N-O 3.43Å; I378-I403 PolarHBondContact O-N 3.12Å; K401-I403 HydrophobicContact CD-CD1 3.9Å; K401-I403 HydrophobicContact CD-CG1 4.2Å; K401-I403 VanDerWaalsContact CE-CD1 3.5Å; K401-I403 HydrophobicContact CG-CD1 4.14Å; K401-I403 HydrophobicContact CG-CG1 3.88Å; I403-P408 HydrophobicContact CG2-CB 4.31Å; I403-Q411 HydrophobicContact CG1-CB 4.38Å
404	S	78	Confident	76.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.4	171.2	163.4	0	0	0	0	111	D372 S406 N407 N410	D372-S404 PolarHBondContact O-OG 3.13Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact OG-N 2.86Å; S404-S406 PolarHBondContact OG-OG 2.67Å; S404-N407 WeakPolarHBondContact CB-O 3.44Å; S404-N407 CarbonylContact O-C 3.4Å; S404-N407 PolarHBondContact OG-N 2.94Å; S404-N410 PolarHBondContact N-O 3.02Å
405	R	77.1	Confident	77.3	Confident	111 Å²	111	50.2 Å²	50.2	42%	0.419	26%	0.255	S	S	.	.	S	Bend	trans	-70.2	-28	174.9	-79.7	179.3	158.7	-160	-2.7	113.3	E359 R375 G376 I378	E359-R405 IonicContact OE2-CZ 2.91Å; E359-R405 IonicContact OE2-NH2 2.83Å; E359-R405 PolarHBondContact OE2-NH2 2.93Å; R375-R405 HydrophobicContact CB-CB 4.44Å; R375-R405 VanDerWaalsContact O-CD 3.3Å; R375-R405 WeakPolarHBondContact O-CD 3.42Å; G376-R405 WeakPolarHBondContact O-CB 3.38Å; G376-R405 PolarHBondContact O-N 2.79Å; G376-R405 VanDerWaalsContact O-N 3.09Å; I378-R405 HydrophobicContact CD1-CG 4.31Å; I378-R405 HydrophobicContact CG1-CG 4.14Å
406	S	75.4	Confident	77.4	Confident	39 Å²	39	50.1 Å²	50.1	27%	0.273	26%	0.257	S	S	.	.	S	Bend	trans	-85.1	-31.1	179.1	58.4	0	0	0	0	112.2	D372 S404	D372-S406 PolarHBondContact O-OG 2.73Å; D372-S406 PolarHBondContact OD1-OG 2.87Å; D372-S406 VanDerWaalsContact OD2-CB 3.28Å; D372-S406 WeakPolarHBondContact OD2-CB 3.1Å; D372-S406 PolarHBondContact OD2-OG 3.1Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact OG-N 2.86Å; S404-S406 PolarHBondContact OG-OG 2.67Å
407	N	76.6	Confident	77.2	Confident	65 Å²	65	52.6 Å²	52.6	35%	0.348	27%	0.267	S	S	.	.			trans	-138.8	96	-179.3	-175.3	-1.7	0	0	0	111.2	S404 K409 N410	S404-N407 WeakPolarHBondContact CB-O 3.44Å; S404-N407 CarbonylContact O-C 3.4Å; S404-N407 PolarHBondContact OG-N 2.94Å; N407-K409 PolarHBondContact O-N 3.1Å; N407-K409 VanDerWaalsContact OD1-CB 3.31Å; N407-K409 WeakPolarHBondContact OD1-CB 3.45Å; N407-K409 PolarHBondContact OD1-N 3.01Å; N407-N410 HydrophobicContact CB-CB 4.21Å; N407-N410 WeakPolarHBondContact O-CA 3.36Å; N407-N410 WeakPolarHBondContact O-CB 3.01Å; N407-N410 PolarHBondContact O-N 3.39Å
408	P	77.2	Confident	77	Confident	94 Å²	94	50.8 Å²	50.8	61%	0.61	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.3	177.5	-26.2	35	0	0	0	114.9	I403 N410	I403-P408 HydrophobicContact CG2-CB 4.31Å; P408-N410 VanDerWaalsContact C-N 3.32Å
409	K	76.1	Confident	76.4	Confident	190 Å²	190	51.4 Å²	51.4	83%	0.826	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.8	173.3	-60.1	-175.7	176.7	-178.9	0	112.3	N407 Q411	N407-K409 PolarHBondContact O-N 3.1Å; N407-K409 VanDerWaalsContact OD1-CB 3.31Å; N407-K409 WeakPolarHBondContact OD1-CB 3.45Å; N407-K409 PolarHBondContact OD1-N 3.01Å; K409-Q411 PolarHBondContact O-N 2.81Å
410	N	71.6	Confident	75.6	Confident	42 Å²	42	50.6 Å²	50.6	23%	0.225	26%	0.257	C	S	.	.			trans	-85	89.4	174.1	-169.7	6	0	0	0	109	A371 S404 N407 P408	A371-N410 PolarHBondContact N-ND2 2.9Å; S404-N410 PolarHBondContact N-O 3.02Å; N407-N410 HydrophobicContact CB-CB 4.21Å; N407-N410 WeakPolarHBondContact O-CA 3.36Å; N407-N410 WeakPolarHBondContact O-CB 3.01Å; N407-N410 PolarHBondContact O-N 3.39Å; P408-N410 VanDerWaalsContact C-N 3.32Å
411	Q	75.3	Confident	74.3	Confident	73 Å²	73	54.2 Å²	54.2	34%	0.341	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.5	179.3	62.2	-176.9	-21.2	0	0	111.2	T402 I403 K409	T402-Q411 CarbonylContact O-C 3.56Å; T402-Q411 WeakPolarHBondContact O-CA 3.22Å; T402-Q411 WeakPolarHBondContact O-CB 3.33Å; I403-Q411 HydrophobicContact CG1-CB 4.38Å; K409-Q411 PolarHBondContact O-N 2.81Å
412	H	72.6	Confident	72.5	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.6	169.2	-171.2	-83.7	0	0	0	108.5	K401 T402 S414 R435	K401-H412 WeakPolarHBondContact CA-O 3.02Å; T402-H412 PolarHBondContact N-O 3.06Å; T402-H412 PolarHBondContact O-N 2.02Å; H412-S414 PolarHBondContact CE1-OG 3.37Å; H412-S414 VanDerWaalsContact CE1-OG 3.24Å; H412-R435 PolarHBondContact CD2-NE 2.69Å; H412-R435 WeakPolarHBondContact NE2-CD 3.35Å; H412-R435 PolarHBondContact NE2-NE 2.88Å
413	I	72.9	Confident	70.4	Confident	69 Å²	69	60.4 Å²	60.4	35%	0.354	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.5	178.2	-56.6	176.4	0	0	0	107.7	V400 K401 L415 T434	V400-I413 CarbonylContact O-C 3.59Å; V400-I413 VanDerWaalsContact O-CA 3.32Å; V400-I413 WeakPolarHBondContact O-CA 3.01Å; K401-I413 HydrophobicContact CG-CG1 4.25Å; I413-L415 HydrophobicContact CG2-CD2 3.86Å; I413-L415 HydrophobicContact CG2-CG 4.05Å; I413-T434 PolarHBondContact O-OG1 2.82Å; I413-T434 VanDerWaalsContact O-OG1 3.11Å
414	S	72.8	Confident	68.3	Low	16 Å²	16	60.4 Å²	60.4	11%	0.112	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.8	168.8	-55.5	0	0	0	0	108.3	S399 V400 H412 S433	S399-S414 CarbonylContact C-O 3.52Å; S399-S414 WeakPolarHBondContact CA-O 2.96Å; V400-S414 PolarHBondContact N-O 2.76Å; V400-S414 PolarHBondContact O-N 3.39Å; H412-S414 PolarHBondContact CE1-OG 3.37Å; H412-S414 VanDerWaalsContact CE1-OG 3.24Å; S414-S433 PolarHBondContact OG-OG 3.15Å
415	L	71	Confident	66.4	Low	89 Å²	89	68.1 Å²	68.1	47%	0.466	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	178.1	-57.5	175.5	0	0	0	108.9	S399 I413 I432 T434	S399-L415 VanDerWaalsContact CB-CD2 3.46Å; I413-L415 HydrophobicContact CG2-CD2 3.86Å; I413-L415 HydrophobicContact CG2-CG 4.05Å; L415-I432 CarbonylContact C-O 3.59Å; L415-T434 HydrophobicContact CB-CG2 4.07Å
416	G	73.2	Confident	64.8	Low	6 Å²	6	65 Å²	65	6%	0.062	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-161.6	172.4	0	0	0	0	0	113.1	F398 I432	F398-G416 PolarHBondContact N-O 3.4Å; F398-G416 PolarHBondContact O-N 3.37Å; G416-I432 WeakPolarHBondContact CA-O 3.16Å
417	F	73.8	Confident	63.3	Low	51 Å²	51	64.7 Å²	64.7	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.1	-177.8	-46	-75.8	0	0	0	109.5	F391 Y395 L396 N397 F398 A430	F391-F417 AromaticContact CE2-CD2 3.99Å; F391-F417 HydrophobicContact CE2-CD2 3.99Å; F391-F417 HydrophobicContact CE2-CE1 4.5Å; F391-F417 AromaticContact CE2-CE2 3.82Å; F391-F417 HydrophobicContact CE2-CE2 3.82Å; F391-F417 HydrophobicContact CE2-CG 4.41Å; F391-F417 HydrophobicContact CE2-CZ 4.08Å; F391-F417 HydrophobicContact CZ-CE2 4.26Å; Y395-F417 HydrophobicContact CD2-CB 3.88Å; Y395-F417 AromaticContact CD2-CD1 3.36Å; Y395-F417 HydrophobicContact CD2-CD1 3.36Å; Y395-F417 HydrophobicContact CD2-CE1 4.22Å; Y395-F417 AromaticContact CD2-CG 3.9Å; Y395-F417 HydrophobicContact CD2-CG 3.9Å; Y395-F417 AromaticContact CE2-CD1 3.3Å; Y395-F417 HydrophobicContact CE2-CD1 3.3Å; Y395-F417 AromaticContact CE2-CE1 3.69Å; Y395-F417 HydrophobicContact CE2-CE1 3.69Å; Y395-F417 HydrophobicContact CE2-CG 4.19Å; Y395-F417 HydrophobicContact CG-CB 4.31Å; Y395-F417 HydrophobicContact CG-CD1 4.39Å; L396-F417 CarbonylContact O-C 3.58Å; L396-F417 WeakPolarHBondContact O-CA 3.47Å; N397-F417 WeakPolarHBondContact OD1-CD1 3.39Å; N397-F417 WeakPolarHBondContact OD1-CE1 3.34Å; F398-F417 VanDerWaalsContact CE1-N 3.35Å; F398-F417 WeakPolarHBondContact CE1-O 3.46Å; F417-A430 CarbonylContact C-O 3.4Å
418	V	76.1	Confident	62	Low	10 Å²	10	64 Å²	64	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.2	169.5	103.5	0	0	0	0	107.3	F349 Y395 L396 V429 A430 I431	F349-V418 HydrophobicContact CD1-CG1 4.1Å; F349-V418 HydrophobicContact CD2-CG1 4.34Å; F349-V418 HydrophobicContact CE1-CG1 3.81Å; F349-V418 HydrophobicContact CE1-CG2 4.23Å; F349-V418 HydrophobicContact CE2-CG1 4.05Å; F349-V418 HydrophobicContact CG-CG1 4.36Å; F349-V418 HydrophobicContact CZ-CG1 3.78Å; F349-V418 HydrophobicContact CZ-CG2 4.39Å; Y395-V418 CarbonylContact C-O 3.47Å; Y395-V418 WeakPolarHBondContact CA-O 3.26Å; Y395-V418 VanDerWaalsContact CB-O 3.32Å; Y395-V418 WeakPolarHBondContact CB-O 3.34Å; L396-V418 HydrophobicContact CB-CG1 3.75Å; L396-V418 HydrophobicContact CD1-CG1 3.89Å; L396-V418 HydrophobicContact CG-CG1 4.02Å; L396-V418 PolarHBondContact N-O 3.33Å; L396-V418 PolarHBondContact O-N 3.35Å; V418-V429 HydrophobicContact CG2-CB 4.47Å; V418-V429 HydrophobicContact CG2-CG1 3.23Å; V418-A430 WeakPolarHBondContact CA-O 3.23Å; V418-I431 HydrophobicContact CG2-CG1 4.31Å
419	T	70.9	Confident	60.8	Low	35 Å²	35	59.5 Å²	59.5	22%	0.215	33%	0.325	C	S	.	.			trans	-142.7	158.8	179.1	-175.5	0	0	0	0	109.7	P394 V429 A430	P394-T419 PolarHBondContact O-OG1 2.79Å; P394-T419 VanDerWaalsContact O-OG1 3.05Å; T419-V429 WeakPolarHBondContact O-CA 3.27Å; T419-A430 HydrophobicContact CG2-CB 4.24Å
420	L	65.6	Low	59.6	Low	19 Å²	19	52.2 Å²	52.2	10%	0.099	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-82.7	139.7	160.2	-57.3	-163.6	0	0	0	109.2	V345 P348 F349 I427	V345-L420 HydrophobicContact CG2-CB 4.42Å; V345-L420 HydrophobicContact CG2-CD1 3.99Å; V345-L420 HydrophobicContact CG2-CG 4.49Å; V345-L420 WeakPolarHBondContact O-CD1 3.38Å; V345-L420 WeakPolarHBondContact O-CG 3.36Å; P348-L420 HydrophobicContact CG-CD1 4.34Å; F349-L420 HydrophobicContact CD2-CD2 4.38Å; F349-L420 HydrophobicContact CE2-CD2 3.36Å; F349-L420 HydrophobicContact CE2-CG 3.85Å; F349-L420 HydrophobicContact CZ-CD2 3.53Å; F349-L420 HydrophobicContact CZ-CG 4.44Å; L420-I427 HydrophobicContact CD1-CD1 4.09Å; L420-I427 HydrophobicContact CD1-CG1 4.19Å; L420-I427 HydrophobicContact CD2-CB 3.95Å; L420-I427 HydrophobicContact CD2-CD1 3.89Å; L420-I427 HydrophobicContact CD2-CG1 3.81Å; L420-I427 HydrophobicContact CD2-CG2 3.06Å; L420-I427 HydrophobicContact CG-CG2 4.43Å
421	K	56.4	Low	58.9	Low	105 Å²	105	51 Å²	51	46%	0.457	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.9	129.3	160.3	-175.4	175.5	177.4	-176.2	0	109.1	A423 S424 E428	K421-A423 PolarHBondContact O-N 2.95Å; K421-S424 PolarHBondContact O-N 2.89Å; K421-S424 PolarHBondContact O-OG 2.91Å; K421-S424 VanDerWaalsContact O-OG 3.1Å; K421-E428 HydrophobicContact CB-CB 3.83Å; K421-E428 HydrophobicContact CD-CB 4.17Å; K421-E428 HydrophobicContact CD-CG 4.29Å; K421-E428 WeakPolarHBondContact CD-OE2 3.42Å; K421-E428 WeakPolarHBondContact CE-OE2 2.95Å; K421-E428 PolarHBondContact N-O 3.15Å; K421-E428 VanDerWaalsContact N-O 3.12Å; K421-E428 IonicContact NZ-OE1 3.06Å; K421-E428 PolarHBondContact NZ-OE1 3.02Å; K421-E428 IonicContact NZ-OE2 3.38Å; K421-E428 PolarHBondContact NZ-OE2 3.36Å
422	P	44.9	Very low	57.8	Low	91 Å²	91	51.1 Å²	51.1	59%	0.591	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	130.4	177.1	20.9	-28.5	0	0	0	110.1	M393 S424	M393-P422 HydrophobicContact CE-CB 4.11Å; M393-P422 HydrophobicContact CE-CG 3.63Å; P422-S424 VanDerWaalsContact C-N 3.34Å; P422-S424 PolarHBondContact O-N 2.93Å
423	A	37.4	Very low	56.8	Low	116 Å²	116	51 Å²	51	96%	0.959	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	21.6	178.2	0	0	0	0	0	116.7	K421	K421-A423 PolarHBondContact O-N 2.95Å
424	S	40	Very low	55.4	Low	24 Å²	24	51.5 Å²	51.5	17%	0.168	30%	0.304	C	S	.	.			trans	-89.1	128.4	167.2	63.4	0	0	0	0	110.7	K421 P422 P426 E428	K421-S424 PolarHBondContact O-N 2.89Å; K421-S424 PolarHBondContact O-OG 2.91Å; K421-S424 VanDerWaalsContact O-OG 3.1Å; P422-S424 VanDerWaalsContact C-N 3.34Å; P422-S424 PolarHBondContact O-N 2.93Å; S424-P426 CarbonylContact C-O 3.57Å; S424-P426 VanDerWaalsContact C-O 3.28Å; S424-P426 WeakPolarHBondContact CB-O 3.38Å; S424-P426 CarbonylContact O-C 3.52Å; S424-P426 PolarHBondContact OG-O 2.9Å; S424-E428 PolarHBondContact OG-N 2.83Å; S424-E428 VanDerWaalsContact OG-N 3.14Å
425	N	37.6	Very low	54.5	Low	164 Å²	164	57.1 Å²	57.1	88%	0.877	32%	0.323	S	S	*	.	S	Bend	trans	-125.4	114.6	164.8	-172.1	14.8	0	0	0	108.3
426	P	42.4	Very low	54.2	Low	45 Å²	45	54.4 Å²	54.4	29%	0.292	31%	0.308	S	S	.	.	S	Bend	cis	-74.6	169.4	0.7	29.1	-31.7	0	0	0	113.5	S424 E428 E443	S424-P426 CarbonylContact C-O 3.57Å; S424-P426 VanDerWaalsContact C-O 3.28Å; S424-P426 WeakPolarHBondContact CB-O 3.38Å; S424-P426 CarbonylContact O-C 3.52Å; S424-P426 PolarHBondContact OG-O 2.9Å; P426-E428 PolarHBondContact O-N 3.2Å; P426-E443 HydrophobicContact CB-CB 3.82Å; P426-E443 HydrophobicContact CB-CG 4.16Å; P426-E443 HydrophobicContact CG-CB 3.6Å; P426-E443 HydrophobicContact CG-CG 3.37Å; P426-E443 VanDerWaalsContact CG-OE1 3.29Å; P426-E443 WeakPolarHBondContact CG-OE1 3.48Å
427	I	45.7	Very low	53.8	Low	32 Å²	32	57.3 Å²	57.3	16%	0.164	33%	0.325	C	S	.	.			trans	-57.1	115.4	-178.2	-79.6	169.9	0	0	0	111.3	P348 L420 V429 G442 E443 M444	P348-I427 HydrophobicContact CB-CD1 3.87Å; P348-I427 HydrophobicContact CG-CD1 4.1Å; L420-I427 HydrophobicContact CD1-CD1 4.09Å; L420-I427 HydrophobicContact CD1-CG1 4.19Å; L420-I427 HydrophobicContact CD2-CB 3.95Å; L420-I427 HydrophobicContact CD2-CD1 3.89Å; L420-I427 HydrophobicContact CD2-CG1 3.81Å; L420-I427 HydrophobicContact CD2-CG2 3.06Å; L420-I427 HydrophobicContact CG-CG2 4.43Å; I427-V429 HydrophobicContact CG2-CG2 3.91Å; I427-G442 CarbonylContact C-O 3.44Å; I427-G442 CarbonylContact O-C 3.59Å; I427-E443 VanDerWaalsContact O-CA 3.28Å; I427-E443 WeakPolarHBondContact O-CA 3.17Å; I427-M444 HydrophobicContact CB-CB 4.09Å; I427-M444 HydrophobicContact CD1-CE 3.85Å; I427-M444 HydrophobicContact CG2-CB 3.74Å; I427-M444 HydrophobicContact CG2-CE 4.1Å
428	E	48	Very low	53.5	Low	51 Å²	51	55.6 Å²	55.6	24%	0.238	32%	0.319	C	S	.	.			trans	-84.9	133.6	170.5	-68.8	176.5	-143.1	0	0	111.6	K421 S424 P426 G442	K421-E428 HydrophobicContact CB-CB 3.83Å; K421-E428 HydrophobicContact CD-CB 4.17Å; K421-E428 HydrophobicContact CD-CG 4.29Å; K421-E428 WeakPolarHBondContact CD-OE2 3.42Å; K421-E428 WeakPolarHBondContact CE-OE2 2.95Å; K421-E428 PolarHBondContact N-O 3.15Å; K421-E428 VanDerWaalsContact N-O 3.12Å; K421-E428 IonicContact NZ-OE1 3.06Å; K421-E428 PolarHBondContact NZ-OE1 3.02Å; K421-E428 IonicContact NZ-OE2 3.38Å; K421-E428 PolarHBondContact NZ-OE2 3.36Å; S424-E428 PolarHBondContact OG-N 2.83Å; S424-E428 VanDerWaalsContact OG-N 3.14Å; P426-E428 PolarHBondContact O-N 3.2Å; E428-G442 VanDerWaalsContact CA-O 3.3Å; E428-G442 WeakPolarHBondContact CA-O 3.42Å
429	V	53.5	Low	53.1	Low	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-118.3	115.7	-174.2	166.2	0	0	0	0	110.9	F349 V418 T419 I427 I431 E440 E441 M449 I451	F349-V429 HydrophobicContact CE1-CG2 4.06Å; F349-V429 HydrophobicContact CZ-CG2 3.97Å; V418-V429 HydrophobicContact CG2-CB 4.47Å; V418-V429 HydrophobicContact CG2-CG1 3.23Å; T419-V429 WeakPolarHBondContact O-CA 3.27Å; I427-V429 HydrophobicContact CG2-CG2 3.91Å; V429-I431 HydrophobicContact CG1-CG1 4.12Å; V429-E440 CarbonylContact C-O 3.59Å; V429-E440 CarbonylContact O-C 3.47Å; V429-E440 VanDerWaalsContact O-C 3.27Å; V429-E441 VanDerWaalsContact O-CA 3.3Å; V429-E441 WeakPolarHBondContact O-CA 3.18Å; V429-M449 HydrophobicContact CB-SD 4.23Å; V429-M449 HydrophobicContact CG1-SD 3.89Å; V429-M449 HydrophobicContact CG2-CG 4.28Å; V429-M449 HydrophobicContact CG2-SD 3.7Å; V429-I451 HydrophobicContact CB-CG2 3.76Å; V429-I451 HydrophobicContact CG1-CG2 3.92Å
430	A	50.1	Low	53.3	Low	36 Å²	36	56.8 Å²	56.8	30%	0.298	32%	0.323	S	S	.	.			trans	-95.1	129.2	174.7	0	0	0	0	0	112.7	F417 V418 T419 E440	F417-A430 CarbonylContact C-O 3.4Å; V418-A430 WeakPolarHBondContact CA-O 3.23Å; T419-A430 HydrophobicContact CG2-CB 4.24Å; A430-E440 VanDerWaalsContact CA-O 3.27Å; A430-E440 WeakPolarHBondContact CA-O 3.17Å
431	I	57.2	Low	53.8	Low	18 Å²	18	58.7 Å²	58.7	9%	0.092	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-123	131	177	-65.2	-167.9	0	0	0	110.2	F398 V418 V429 T438 I439 E440 I451	F398-I431 HydrophobicContact CE1-CB 4.23Å; F398-I431 HydrophobicContact CE1-CG1 4.37Å; F398-I431 HydrophobicContact CE1-CG2 3.52Å; F398-I431 HydrophobicContact CE2-CG2 4.38Å; F398-I431 HydrophobicContact CZ-CG2 3.36Å; V418-I431 HydrophobicContact CG2-CG1 4.31Å; V429-I431 HydrophobicContact CG1-CG1 4.12Å; I431-T438 CarbonylContact O-C 3.45Å; I431-T438 VanDerWaalsContact O-C 3.31Å; I431-I439 WeakPolarHBondContact O-CA 3.42Å; I431-E440 HydrophobicContact CB-CB 4.28Å; I431-E440 HydrophobicContact CB-CG 4.49Å; I431-I451 HydrophobicContact CD1-CD1 3.2Å; I431-I451 HydrophobicContact CG1-CD1 4.12Å
432	I	51.4	Low	54.8	Low	74 Å²	74	54.5 Å²	54.5	38%	0.379	32%	0.318	S	S	.	.			trans	-114.2	138.5	175.3	-58.3	176.3	0	0	0	109.5	F398 L415 G416 T437 T438	F398-I432 WeakPolarHBondContact CZ-O 3.31Å; L415-I432 CarbonylContact C-O 3.59Å; G416-I432 WeakPolarHBondContact CA-O 3.16Å; I432-T437 HydrophobicContact CG2-CG2 4.14Å; I432-T438 WeakPolarHBondContact CA-O 3.5Å
433	S	52.8	Low	56.3	Low	21 Å²	21	55.6 Å²	55.6	15%	0.147	32%	0.315	C	S	.	.			trans	-129.8	154.9	177	175.5	0	0	0	0	112	S414 I436 T437	S414-S433 PolarHBondContact OG-OG 3.15Å; S433-I436 CarbonylContact C-O 3.43Å; S433-I436 VanDerWaalsContact CB-O 3.3Å; S433-I436 WeakPolarHBondContact CB-O 3.29Å; S433-I436 CarbonylContact O-C 3.45Å; S433-I436 VanDerWaalsContact O-O 3.07Å; S433-T437 VanDerWaalsContact O-CA 3.28Å; S433-T437 WeakPolarHBondContact O-CA 3.39Å; S433-T437 PolarHBondContact O-OG1 2.93Å
434	T	43.5	Very low	58.2	Low	79 Å²	79	50.9 Å²	50.9	49%	0.485	27%	0.273	S	S	.	.	S	Bend	trans	-93.4	-12.4	-163.3	51.7	0	0	0	0	115.7	I413 L415	I413-T434 PolarHBondContact O-OG1 2.82Å; I413-T434 VanDerWaalsContact O-OG1 3.11Å; L415-T434 HydrophobicContact CB-CG2 4.07Å
435	R	53.9	Low	59.7	Low	133 Å²	133	53.9 Å²	53.9	50%	0.502	29%	0.288	S	S	.	.	S	Bend	trans	-106.2	-32.3	173.6	-67.1	-152.3	-167.8	179.4	1.5	113.8	H412	H412-R435 PolarHBondContact CD2-NE 2.69Å; H412-R435 WeakPolarHBondContact NE2-CD 3.35Å; H412-R435 PolarHBondContact NE2-NE 2.88Å
436	I	62.8	Low	61.5	Low	33 Å²	33	53.1 Å²	53.1	17%	0.169	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.3	166.6	-58.2	176.5	0	0	0	103.3	S433 T438 A456 I457 A458 P466	S433-I436 CarbonylContact C-O 3.43Å; S433-I436 VanDerWaalsContact CB-O 3.3Å; S433-I436 WeakPolarHBondContact CB-O 3.29Å; S433-I436 CarbonylContact O-C 3.45Å; S433-I436 VanDerWaalsContact O-O 3.07Å; I436-T438 HydrophobicContact CG2-CG2 3.8Å; I436-T438 PolarHBondContact O-N 2.81Å; I436-T438 VanDerWaalsContact O-N 3.14Å; I436-A456 HydrophobicContact CG2-CB 4.47Å; I436-I457 CarbonylContact C-O 3.56Å; I436-I457 WeakPolarHBondContact CA-O 3.33Å; I436-A458 HydrophobicContact CG1-CB 4.24Å; I436-A458 HydrophobicContact CG2-CB 4.27Å; I436-P466 HydrophobicContact CD1-CB 3.88Å; I436-P466 HydrophobicContact CD1-CG 3.77Å
437	T	65.9	Low	63.5	Low	66 Å²	66	53.7 Å²	53.7	41%	0.405	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	101.5	177.2	-58.7	0	0	0	0	107.3	I432 S433 A456 I457	I432-T437 HydrophobicContact CG2-CG2 4.14Å; S433-T437 VanDerWaalsContact O-CA 3.28Å; S433-T437 WeakPolarHBondContact O-CA 3.39Å; S433-T437 PolarHBondContact O-OG1 2.93Å; T437-A456 CarbonylContact O-C 3.39Å; T437-A456 WeakPolarHBondContact O-CA 3.02Å; T437-I457 PolarHBondContact N-O 2.88Å; T437-I457 PolarHBondContact O-N 3.02Å
438	T	68.2	Low	65.3	Low	16 Å²	16	52.3 Å²	52.3	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	158.5	174	55.1	0	0	0	0	110.5	I431 I432 I436 T453 Y455 A456	I431-T438 CarbonylContact O-C 3.45Å; I431-T438 VanDerWaalsContact O-C 3.31Å; I432-T438 WeakPolarHBondContact CA-O 3.5Å; I436-T438 HydrophobicContact CG2-CG2 3.8Å; I436-T438 PolarHBondContact O-N 2.81Å; I436-T438 VanDerWaalsContact O-N 3.14Å; T438-T453 HydrophobicContact CG2-CG2 4.35Å; T438-Y455 CarbonylContact C-O 3.57Å; T438-Y455 WeakPolarHBondContact CA-O 3.15Å; T438-A456 HydrophobicContact CG2-CB 4Å
439	I	66.8	Low	67.2	Low	67 Å²	67	50.1 Å²	50.1	34%	0.344	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110.9	156.6	-59.4	175.3	0	0	0	103.9	I431 E441 K454 Y455	I431-I439 WeakPolarHBondContact O-CA 3.42Å; I439-E441 HydrophobicContact CG2-CG 4.39Å; I439-K454 PolarHBondContact O-N 3.27Å; I439-Y455 HydrophobicContact CB-CD2 4.14Å; I439-Y455 HydrophobicContact CD1-CD2 4.25Å; I439-Y455 HydrophobicContact CG2-CD2 4.41Å; I439-Y455 PolarHBondContact N-O 3.33Å; I439-Y455 PolarHBondContact O-N 3.26Å; I439-Y455 VanDerWaalsContact O-N 3.09Å
440	E	76	Confident	68.7	Low	2 Å²	2	52.4 Å²	52.4	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	148.7	170.1	-56.1	-178.9	-168.6	0	0	107.8	V429 A430 I431 I451 E452 R471	V429-E440 CarbonylContact C-O 3.59Å; V429-E440 CarbonylContact O-C 3.47Å; V429-E440 VanDerWaalsContact O-C 3.27Å; A430-E440 VanDerWaalsContact CA-O 3.27Å; A430-E440 WeakPolarHBondContact CA-O 3.17Å; I431-E440 HydrophobicContact CB-CB 4.28Å; I431-E440 HydrophobicContact CB-CG 4.49Å; E440-I451 HydrophobicContact CB-CB 4.3Å; E440-I451 HydrophobicContact CB-CD1 4.31Å; E440-I451 WeakPolarHBondContact OE2-CD1 3.38Å; E440-E452 CarbonylContact C-O 3.43Å; E440-E452 WeakPolarHBondContact CA-O 3.44Å; E440-R471 IonicContact OE1-CZ 2.78Å; E440-R471 IonicContact OE1-NE 2.62Å; E440-R471 PolarHBondContact OE1-NE 2.92Å; E440-R471 IonicContact OE1-NH2 3.16Å; E440-R471 VanDerWaalsContact OE2-CD 3.3Å; E440-R471 WeakPolarHBondContact OE2-CD 3.47Å; E440-R471 IonicContact OE2-NE 3.92Å; E440-R471 PolarHBondContact OE2-NE 3.27Å; E440-R471 VanDerWaalsContact OE2-NE 3.16Å
441	E	75	Confident	70.4	Confident	59 Å²	59	50.8 Å²	50.8	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157	173.2	-65	178.5	-178.6	0	0	108.2	V429 I439 I451 E452 K454	V429-E441 VanDerWaalsContact O-CA 3.3Å; V429-E441 WeakPolarHBondContact O-CA 3.18Å; I439-E441 HydrophobicContact CG2-CG 4.39Å; E441-I451 CarbonylContact O-C 3.49Å; E441-I451 WeakPolarHBondContact O-CA 3.1Å; E441-E452 PolarHBondContact N-O 3.36Å; E441-E452 PolarHBondContact O-N 2.83Å; E441-K454 HydrophobicContact CB-CG 3.67Å; E441-K454 HydrophobicContact CG-CB 4.48Å; E441-K454 HydrophobicContact CG-CG 3.75Å
442	G	77.7	Confident	71.6	Confident	18 Å²	18	52.4 Å²	52.4	19%	0.186	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-150	-175.9	0	0	0	0	0	114.5	I427 E428 K450	I427-G442 CarbonylContact C-O 3.44Å; I427-G442 CarbonylContact O-C 3.59Å; E428-G442 VanDerWaalsContact CA-O 3.3Å; E428-G442 WeakPolarHBondContact CA-O 3.42Å; G442-K450 CarbonylContact C-O 3.49Å; G442-K450 WeakPolarHBondContact CA-O 3.17Å
443	E	77	Confident	73	Confident	114 Å²	114	49.5 Å²	49.5	53%	0.533	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.7	-172.4	-46.5	-166.1	157.7	0	0	109.6	P426 I427 M449 K450	P426-E443 HydrophobicContact CB-CB 3.82Å; P426-E443 HydrophobicContact CB-CG 4.16Å; P426-E443 HydrophobicContact CG-CB 3.6Å; P426-E443 HydrophobicContact CG-CG 3.37Å; P426-E443 VanDerWaalsContact CG-OE1 3.29Å; P426-E443 WeakPolarHBondContact CG-OE1 3.48Å; I427-E443 VanDerWaalsContact O-CA 3.28Å; I427-E443 WeakPolarHBondContact O-CA 3.17Å; E443-M449 CarbonylContact O-C 3.44Å; E443-M449 WeakPolarHBondContact O-CA 3.39Å; E443-K450 PolarHBondContact N-O 3.3Å; E443-K450 PolarHBondContact O-N 3.04Å
444	M	76.2	Confident	74	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.9	174.3	-172.6	171.7	72.6	0	0	110.8	P348 F349 W351 I427 S448 M449	P348-M444 VanDerWaalsContact C-CE 3.49Å; P348-M444 HydrophobicContact CB-CE 3.3Å; P348-M444 VanDerWaalsContact O-CE 3.24Å; P348-M444 WeakPolarHBondContact O-CE 3.29Å; F349-M444 HydrophobicContact CD1-CE 3.86Å; F349-M444 HydrophobicContact CD1-SD 3.64Å; F349-M444 HydrophobicContact CE1-CE 3.83Å; F349-M444 HydrophobicContact CE1-SD 3.62Å; F349-M444 HydrophobicContact CG-CE 4.23Å; F349-M444 HydrophobicContact CZ-CE 4.18Å; F349-M444 HydrophobicContact CZ-SD 4.48Å; W351-M444 HydrophobicContact CZ2-SD 4.09Å; I427-M444 HydrophobicContact CB-CB 4.09Å; I427-M444 HydrophobicContact CD1-CE 3.85Å; I427-M444 HydrophobicContact CG2-CB 3.74Å; I427-M444 HydrophobicContact CG2-CE 4.1Å; M444-S448 CarbonylContact C-O 3.45Å; M444-S448 WeakPolarHBondContact CA-O 3.02Å; M444-S448 WeakPolarHBondContact CG-O 3.37Å; M444-M449 HydrophobicContact CB-CB 4.22Å; M444-M449 HydrophobicContact CB-CG 4.26Å; M444-M449 HydrophobicContact CG-CB 3.95Å; M444-M449 HydrophobicContact CG-CG 4.4Å; M444-M449 HydrophobicContact SD-CB 4.3Å; M444-M449 HydrophobicContact SD-SD 4.31Å
445	N	72.3	Confident	75.1	Confident	87 Å²	87	56.5 Å²	56.5	47%	0.465	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	168.8	165.1	63.8	29.7	0	0	0	109.1	T447 S448	N445-T447 PolarHBondContact O-N 2.82Å; N445-S448 PolarHBondContact N-O 3.44Å; N445-S448 PolarHBondContact O-N 2.83Å; N445-S448 VanDerWaalsContact OD1-CA 3.29Å; N445-S448 WeakPolarHBondContact OD1-CA 3.32Å; N445-S448 WeakPolarHBondContact OD1-CB 3.48Å; N445-S448 PolarHBondContact OD1-N 2.81Å; N445-S448 PolarHBondContact OD1-O 2.05Å; N445-S448 PolarHBondContact OD1-OG 2.94Å
446	D	75.2	Confident	75.8	Confident	148 Å²	148	52.1 Å²	52.1	79%	0.791	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-28.2	-48.3	-168.8	-60.9	-33	0	0	0	116.6
447	T	84.1	Confident	75.9	Confident	57 Å²	57	54.9 Å²	54.9	35%	0.35	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	17	-178.2	57.1	0	0	0	0	113.9	W351 N445 R474 L475	W351-T447 HydrophobicContact CB-CG2 4.32Å; N445-T447 PolarHBondContact O-N 2.82Å; T447-R474 CarbonylContact O-C 3.16Å; T447-R474 VanDerWaalsContact O-CA 3.32Å; T447-R474 WeakPolarHBondContact O-CA 3.43Å; T447-L475 HydrophobicContact CG2-CB 4.47Å; T447-L475 PolarHBondContact O-N 3.48Å
448	S	84.7	Confident	75.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.1	179.6	139	0	0	0	0	112.2	M444 N445 H472 F473	M444-S448 CarbonylContact C-O 3.45Å; M444-S448 WeakPolarHBondContact CA-O 3.02Å; M444-S448 WeakPolarHBondContact CG-O 3.37Å; N445-S448 PolarHBondContact N-O 3.44Å; N445-S448 PolarHBondContact O-N 2.83Å; N445-S448 VanDerWaalsContact OD1-CA 3.29Å; N445-S448 WeakPolarHBondContact OD1-CA 3.32Å; N445-S448 WeakPolarHBondContact OD1-CB 3.48Å; N445-S448 PolarHBondContact OD1-N 2.81Å; N445-S448 PolarHBondContact OD1-O 2.05Å; N445-S448 PolarHBondContact OD1-OG 2.94Å; S448-H472 PolarHBondContact OG-NE2 3.04Å; S448-F473 CarbonylContact C-O 3.57Å; S448-F473 WeakPolarHBondContact CA-O 3.16Å
449	M	86.2	Confident	75.5	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.2	-176.5	176.8	178.8	74.5	0	0	109.8	F349 W351 I352 V429 E443 M444 I451 H472 F473	F349-M449 HydrophobicContact CE1-SD 4.12Å; W351-M449 HydrophobicContact CH2-CB 4.23Å; W351-M449 HydrophobicContact CZ2-CB 3.91Å; I352-M449 HydrophobicContact CD1-CE 4.31Å; V429-M449 HydrophobicContact CB-SD 4.23Å; V429-M449 HydrophobicContact CG1-SD 3.89Å; V429-M449 HydrophobicContact CG2-CG 4.28Å; V429-M449 HydrophobicContact CG2-SD 3.7Å; E443-M449 CarbonylContact O-C 3.44Å; E443-M449 WeakPolarHBondContact O-CA 3.39Å; M444-M449 HydrophobicContact CB-CB 4.22Å; M444-M449 HydrophobicContact CB-CG 4.26Å; M444-M449 HydrophobicContact CG-CB 3.95Å; M444-M449 HydrophobicContact CG-CG 4.4Å; M444-M449 HydrophobicContact SD-CB 4.3Å; M444-M449 HydrophobicContact SD-SD 4.31Å; M449-I451 HydrophobicContact CE-CD1 4.36Å; M449-I451 HydrophobicContact CG-CG2 3.91Å; M449-I451 HydrophobicContact SD-CG2 4.42Å; M449-H472 CarbonylContact O-C 3.5Å; M449-H472 WeakPolarHBondContact O-CA 3.23Å; M449-F473 HydrophobicContact CB-CB 4.34Å; M449-F473 HydrophobicContact CE-CB 4.24Å; M449-F473 HydrophobicContact CE-CD2 3.38Å; M449-F473 HydrophobicContact CE-CE2 3.89Å; M449-F473 HydrophobicContact CE-CG 3.9Å; M449-F473 PolarHBondContact N-O 2.91Å; M449-F473 PolarHBondContact O-N 3.29Å
450	K	85.8	Confident	75.2	Confident	47 Å²	47	60.6 Å²	60.6	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.2	176.7	-67.4	175.9	-175.6	171.2	0	108.1	G193 D207 G442 E443 R471 H472	G193-K450 PolarHBondContact O-NZ 2.91Å; D207-K450 VanDerWaalsContact CG-NZ 3.28Å; D207-K450 WeakPolarHBondContact OD1-CE 3.5Å; D207-K450 IonicContact OD1-NZ 2.7Å; D207-K450 PolarHBondContact OD1-NZ 2.8Å; D207-K450 IonicContact OD2-NZ 3.26Å; D207-K450 PolarHBondContact OD2-NZ 2.02Å; G442-K450 CarbonylContact C-O 3.49Å; G442-K450 WeakPolarHBondContact CA-O 3.17Å; E443-K450 PolarHBondContact N-O 3.3Å; E443-K450 PolarHBondContact O-N 3.04Å; K450-R471 CarbonylContact C-O 3.38Å; K450-R471 WeakPolarHBondContact CA-O 3.35Å; K450-H472 VanDerWaalsContact CE-CE1 3.48Å; K450-H472 WeakPolarHBondContact CE-CE1 3.32Å; K450-H472 HydrophobicContact CG-CB 4.35Å; K450-H472 VanDerWaalsContact CG-CD2 3.46Å; K450-H472 WeakPolarHBondContact CG-CD2 3.27Å
451	I	85.7	Confident	74.6	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149	-179.4	58.4	179.6	0	0	0	111.2	V429 I431 E440 E441 M449 T470 R471 F473	V429-I451 HydrophobicContact CB-CG2 3.76Å; V429-I451 HydrophobicContact CG1-CG2 3.92Å; I431-I451 HydrophobicContact CD1-CD1 3.2Å; I431-I451 HydrophobicContact CG1-CD1 4.12Å; E440-I451 HydrophobicContact CB-CB 4.3Å; E440-I451 HydrophobicContact CB-CD1 4.31Å; E440-I451 WeakPolarHBondContact OE2-CD1 3.38Å; E441-I451 CarbonylContact O-C 3.49Å; E441-I451 WeakPolarHBondContact O-CA 3.1Å; M449-I451 HydrophobicContact CE-CD1 4.36Å; M449-I451 HydrophobicContact CG-CG2 3.91Å; M449-I451 HydrophobicContact SD-CG2 4.42Å; I451-T470 CarbonylContact O-C 3.51Å; I451-T470 WeakPolarHBondContact O-CA 3.36Å; I451-R471 HydrophobicContact CD1-CB 4.35Å; I451-R471 HydrophobicContact CG1-CB 3.78Å; I451-R471 HydrophobicContact CG1-CG 4.39Å; I451-R471 PolarHBondContact N-O 3.38Å; I451-R471 PolarHBondContact O-N 2.93Å; I451-F473 HydrophobicContact CD1-CD2 4.49Å; I451-F473 HydrophobicContact CD1-CE2 3.92Å; I451-F473 HydrophobicContact CG1-CE2 4.39Å
452	E	82.8	Confident	74.2	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.4	-176.9	-177.5	-169.6	-143.5	0	0	109.7	E440 E441 K454 K468 A469 T470	E440-E452 CarbonylContact C-O 3.43Å; E440-E452 WeakPolarHBondContact CA-O 3.44Å; E441-E452 PolarHBondContact N-O 3.36Å; E441-E452 PolarHBondContact O-N 2.83Å; E452-K454 PolarHBondContact O-N 3.38Å; E452-K454 VanDerWaalsContact O-N 3.17Å; E452-K454 IonicContact OE2-NZ 2.66Å; E452-K454 PolarHBondContact OE2-NZ 2.03Å; E452-K468 WeakPolarHBondContact OE1-CE 3.04Å; E452-K468 IonicContact OE1-NZ 3.65Å; E452-K468 PolarHBondContact OE1-NZ 2.94Å; E452-A469 CarbonylContact C-O 3.5Å; E452-A469 WeakPolarHBondContact CA-O 3.46Å; E452-T470 HydrophobicContact CB-CG2 4.46Å
453	T	80.4	Confident	73.7	Confident	13 Å²	13	70.4 Å²	70.4	8%	0.08	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	117.4	172.8	-56.2	0	0	0	0	111.2	T438 Y455 A456 A469	T438-T453 HydrophobicContact CG2-CG2 4.35Å; T453-Y455 WeakPolarHBondContact CG2-O 3.04Å; T453-A456 HydrophobicContact CG2-CB 3.81Å; T453-A469 PolarHBondContact N-O 3.44Å; T453-A469 PolarHBondContact OG1-N 3.29Å; T453-A469 PolarHBondContact OG1-O 2.96Å; T453-A469 VanDerWaalsContact OG1-O 3.09Å
454	K	73.1	Confident	73.3	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-36.3	168.6	-60.5	-53.3	-176.5	-169.7	0	111.8	I439 E441 E452	I439-K454 PolarHBondContact O-N 3.27Å; E441-K454 HydrophobicContact CB-CG 3.67Å; E441-K454 HydrophobicContact CG-CB 4.48Å; E441-K454 HydrophobicContact CG-CG 3.75Å; E452-K454 PolarHBondContact O-N 3.38Å; E452-K454 VanDerWaalsContact O-N 3.17Å; E452-K454 IonicContact OE2-NZ 2.66Å; E452-K454 PolarHBondContact OE2-NZ 2.03Å
455	Y	67.6	Low	73.1	Confident	149 Å²	149	70.9 Å²	70.9	58%	0.584	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.4	177.3	-56.8	-83.6	0	0	0	110.5	T438 I439 T453	T438-Y455 CarbonylContact C-O 3.57Å; T438-Y455 WeakPolarHBondContact CA-O 3.15Å; I439-Y455 HydrophobicContact CB-CD2 4.14Å; I439-Y455 HydrophobicContact CD1-CD2 4.25Å; I439-Y455 HydrophobicContact CG2-CD2 4.41Å; I439-Y455 PolarHBondContact N-O 3.33Å; I439-Y455 PolarHBondContact O-N 3.26Å; I439-Y455 VanDerWaalsContact O-N 3.09Å; T453-Y455 WeakPolarHBondContact CG2-O 3.04Å
456	A	68.3	Low	73.2	Confident	40 Å²	40	68.3 Å²	68.3	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.2	174.3	0	0	0	0	0	110.7	I436 T437 T438 T453	I436-A456 HydrophobicContact CG2-CB 4.47Å; T437-A456 CarbonylContact O-C 3.39Å; T437-A456 WeakPolarHBondContact O-CA 3.02Å; T438-A456 HydrophobicContact CG2-CB 4Å; T453-A456 HydrophobicContact CG2-CB 3.81Å
457	I	65.3	Low	73.3	Confident	92 Å²	92	64.9 Å²	64.9	47%	0.472	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.4	173	-58.6	175.9	0	0	0	107.6	P10 I436 T437	P10-I457 HydrophobicContact CG-CG2 4.17Å; I436-I457 CarbonylContact C-O 3.56Å; I436-I457 WeakPolarHBondContact CA-O 3.33Å; T437-I457 PolarHBondContact N-O 2.88Å; T437-I457 PolarHBondContact O-N 3.02Å
458	A	64.4	Low	73.1	Confident	31 Å²	31	65.6 Å²	65.6	26%	0.256	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.6	175.1	0	0	0	0	0	110.2	I436 V465	I436-A458 HydrophobicContact CG1-CB 4.24Å; I436-A458 HydrophobicContact CG2-CB 4.27Å; A458-V465 HydrophobicContact CB-CG1 3.42Å; A458-V465 VanDerWaalsContact CB-CG1 3.42Å
459	I	60.4	Low	73.1	Confident	144 Å²	144	65.9 Å²	65.9	74%	0.738	34%	0.337	S	S	*	.	S	Bend	trans	-77.1	-30.5	174.7	-58.1	173.3	0	0	0	110.2
460	T	61.9	Low	73.1	Confident	93 Å²	93	66.7 Å²	66.7	57%	0.571	34%	0.342	S	S	*	.	S	Bend	trans	-82.7	142.4	-179.5	48.9	0	0	0	0	112.5	V465	T460-V465 WeakPolarHBondContact O-CG2 3.33Å
461	R	63.3	Low	73.2	Confident	183 Å²	183	67 Å²	67	69%	0.691	34%	0.342	S	S	*	.			trans	-104	144.1	177	-61.3	178	-176.3	-176.2	3.5	111
462	G	66.3	Low	73.3	Confident	28 Å²	28	67 Å²	67	29%	0.289	34%	0.342	S	S	.	.	S	Bend	trans	157.3	164	173.1	0	0	0	0	0	112.7	H464 V465	G462-H464 PolarHBondContact O-N 2.89Å; G462-V465 WeakPolarHBondContact O-CG2 3.07Å
463	P	66.1	Low	73.7	Confident	74 Å²	74	65 Å²	65	48%	0.481	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.2	175.4	26.2	-32.9	0	0	0	111.9	V465 K489 D490	P463-V465 VanDerWaalsContact C-N 3.34Å; P463-V465 PolarHBondContact O-N 2.7Å; P463-K489 PolarHBondContact O-N 2.82Å; P463-D490 HydrophobicContact CB-CB 4.06Å; P463-D490 PolarHBondContact O-N 3.13Å
464	H	68.2	Low	74	Confident	125 Å²	125	65.3 Å²	65.3	58%	0.579	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	12	-174.7	-53.1	-48.8	0	0	0	114.9	G462 P466 R488 D490	G462-H464 PolarHBondContact O-N 2.89Å; H464-P466 WeakPolarHBondContact O-CD 3.31Å; H464-R488 WeakPolarHBondContact O-CD 3.36Å; H464-R488 PolarHBondContact O-NE 3.26Å; H464-D490 IonicContact CE1-OD2 2.67Å; H464-D490 PolarHBondContact CE1-OD2 3.26Å; H464-D490 IonicContact ND1-OD2 3.34Å; H464-D490 PolarHBondContact ND1-OD2 2.9Å
465	V	73.2	Confident	74.6	Confident	16 Å²	16	62.5 Å²	62.5	10%	0.097	32%	0.322	C	S	.	.			trans	-70.7	126.3	178.4	176.7	0	0	0	0	109.1	A458 T460 G462 P463 I467 R488 K489	A458-V465 HydrophobicContact CB-CG1 3.42Å; A458-V465 VanDerWaalsContact CB-CG1 3.42Å; T460-V465 WeakPolarHBondContact O-CG2 3.33Å; G462-V465 WeakPolarHBondContact O-CG2 3.07Å; P463-V465 VanDerWaalsContact C-N 3.34Å; P463-V465 PolarHBondContact O-N 2.7Å; V465-I467 PolarHBondContact O-N 2.76Å; V465-R488 WeakPolarHBondContact O-CA 3.38Å; V465-K489 PolarHBondContact O-N 2.87Å
466	P	74.6	Confident	74.9	Confident	33 Å²	33	55.7 Å²	55.7	21%	0.214	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	126.8	171	-24.6	35.2	0	0	0	111.2	I436 H464 I486	I436-P466 HydrophobicContact CD1-CB 3.88Å; I436-P466 HydrophobicContact CD1-CG 3.77Å; H464-P466 WeakPolarHBondContact O-CD 3.31Å; P466-I486 HydrophobicContact CB-CG2 3.67Å; P466-I486 HydrophobicContact CG-CG2 4.07Å
467	I	76.7	Confident	75.1	Confident	75 Å²	75	54.2 Å²	54.2	39%	0.385	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-23.5	177.5	57.4	164.6	0	0	0	112.7	V465 T487 K489	V465-I467 PolarHBondContact O-N 2.76Å; I467-T487 WeakPolarHBondContact CG1-O 3.2Å; I467-T487 PolarHBondContact N-O 2.78Å; I467-K489 HydrophobicContact CG2-CB 3.83Å; I467-K489 HydrophobicContact CG2-CG 4.42Å
468	K	80.9	Confident	75.6	Confident	73 Å²	73	51.7 Å²	51.7	32%	0.317	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	139.6	-180	-178.7	178.9	-178.7	176.7	0	108.9	E452 T487	E452-K468 WeakPolarHBondContact OE1-CE 3.04Å; E452-K468 IonicContact OE1-NZ 3.65Å; E452-K468 PolarHBondContact OE1-NZ 2.94Å; K468-T487 PolarHBondContact N-O 2.9Å; K468-T487 PolarHBondContact O-N 2.84Å
469	A	83.5	Confident	76.3	Confident	9 Å²	9	53.8 Å²	53.8	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.7	169.1	0	0	0	0	0	109.1	E452 T453 Q485	E452-A469 CarbonylContact C-O 3.5Å; E452-A469 WeakPolarHBondContact CA-O 3.46Å; T453-A469 PolarHBondContact N-O 3.44Å; T453-A469 PolarHBondContact OG1-N 3.29Å; T453-A469 PolarHBondContact OG1-O 2.96Å; T453-A469 VanDerWaalsContact OG1-O 3.09Å; A469-Q485 CarbonylContact C-O 3.54Å; A469-Q485 VanDerWaalsContact CA-O 3.25Å; A469-Q485 WeakPolarHBondContact CA-O 3.4Å
470	T	86.2	Confident	77.6	Confident	23 Å²	23	46.9 Å²	46.9	14%	0.141	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.8	168.1	-51.5	0	0	0	0	107.5	L194 I451 E452 T484 Q485	L194-T470 HydrophobicContact CD1-CG2 3.76Å; L194-T470 HydrophobicContact CD2-CG2 3.84Å; L194-T470 HydrophobicContact CG-CG2 4.38Å; I451-T470 CarbonylContact O-C 3.51Å; I451-T470 WeakPolarHBondContact O-CA 3.36Å; E452-T470 HydrophobicContact CB-CG2 4.46Å; T470-T484 CarbonylContact O-C 3.56Å; T470-T484 WeakPolarHBondContact O-CA 3.49Å; T470-Q485 PolarHBondContact N-O 2.77Å; T470-Q485 PolarHBondContact O-N 3.41Å
471	R	87.7	Confident	78.8	Confident	53 Å²	53	42.8 Å²	42.8	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.7	-177	-52.2	177.8	-172.8	-92.8	-7.2	110.5	E440 K450 I451 F473 E482 T483 T484	E440-R471 IonicContact OE1-CZ 2.78Å; E440-R471 IonicContact OE1-NE 2.62Å; E440-R471 PolarHBondContact OE1-NE 2.92Å; E440-R471 IonicContact OE1-NH2 3.16Å; E440-R471 VanDerWaalsContact OE2-CD 3.3Å; E440-R471 WeakPolarHBondContact OE2-CD 3.47Å; E440-R471 IonicContact OE2-NE 3.92Å; E440-R471 PolarHBondContact OE2-NE 3.27Å; E440-R471 VanDerWaalsContact OE2-NE 3.16Å; K450-R471 CarbonylContact C-O 3.38Å; K450-R471 WeakPolarHBondContact CA-O 3.35Å; I451-R471 HydrophobicContact CD1-CB 4.35Å; I451-R471 HydrophobicContact CG1-CB 3.78Å; I451-R471 HydrophobicContact CG1-CG 4.39Å; I451-R471 PolarHBondContact N-O 3.38Å; I451-R471 PolarHBondContact O-N 2.93Å; R471-F473 HydrophobicContact CB-CD2 4.3Å; R471-F473 HydrophobicContact CB-CE2 3.74Å; R471-F473 HydrophobicContact CB-CZ 4.47Å; R471-F473 HydrophobicContact CG-CE2 4.46Å; R471-E482 IonicContact CZ-OE1 3.75Å; R471-E482 IonicContact NH1-OE1 2.67Å; R471-E482 PolarHBondContact NH1-OE1 2.95Å; R471-T483 CarbonylContact C-O 3.59Å; R471-T483 VanDerWaalsContact CA-O 3.26Å; R471-T483 WeakPolarHBondContact CA-O 3.03Å; R471-T484 HydrophobicContact CG-CG2 4.14Å
472	H	88.8	Confident	79.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.7	170.7	-173.5	-169.7	0	0	0	108.5	L194 D207 S448 M449 K450 E482 T483	L194-H472 HydrophobicContact CD2-CB 4.05Å; D207-H472 IonicContact OD1-CE1 2.81Å; D207-H472 PolarHBondContact OD1-CE1 3.45Å; D207-H472 IonicContact OD1-NE2 3.46Å; S448-H472 PolarHBondContact OG-NE2 3.04Å; M449-H472 CarbonylContact O-C 3.5Å; M449-H472 WeakPolarHBondContact O-CA 3.23Å; K450-H472 VanDerWaalsContact CE-CE1 3.48Å; K450-H472 WeakPolarHBondContact CE-CE1 3.32Å; K450-H472 HydrophobicContact CG-CB 4.35Å; K450-H472 VanDerWaalsContact CG-CD2 3.46Å; K450-H472 WeakPolarHBondContact CG-CD2 3.27Å; H472-E482 WeakPolarHBondContact O-CA 3.01Å; H472-T483 PolarHBondContact N-O 3.23Å; H472-T483 PolarHBondContact O-N 3.05Å
473	F	90.2	Very high	80.8	Confident	13 Å²	13	33.3 Å²	33.3	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135	171.4	-64.3	-91.8	0	0	0	108.9	W351 I352 L381 S448 M449 I451 R471 L480 E481 E482	W351-F473 HydrophobicContact CH2-CB 3.79Å; W351-F473 HydrophobicContact CZ3-CB 4.44Å; I352-F473 HydrophobicContact CD1-CB 4.41Å; I352-F473 HydrophobicContact CD1-CD1 4.2Å; I352-F473 HydrophobicContact CD1-CG 4.37Å; L381-F473 HydrophobicContact CD2-CE1 4.37Å; S448-F473 CarbonylContact C-O 3.57Å; S448-F473 WeakPolarHBondContact CA-O 3.16Å; M449-F473 HydrophobicContact CB-CB 4.34Å; M449-F473 HydrophobicContact CE-CB 4.24Å; M449-F473 HydrophobicContact CE-CD2 3.38Å; M449-F473 HydrophobicContact CE-CE2 3.89Å; M449-F473 HydrophobicContact CE-CG 3.9Å; M449-F473 PolarHBondContact N-O 2.91Å; M449-F473 PolarHBondContact O-N 3.29Å; I451-F473 HydrophobicContact CD1-CD2 4.49Å; I451-F473 HydrophobicContact CD1-CE2 3.92Å; I451-F473 HydrophobicContact CG1-CE2 4.39Å; R471-F473 HydrophobicContact CB-CD2 4.3Å; R471-F473 HydrophobicContact CB-CE2 3.74Å; R471-F473 HydrophobicContact CB-CZ 4.47Å; R471-F473 HydrophobicContact CG-CE2 4.46Å; F473-L480 HydrophobicContact CB-CD1 4.37Å; F473-L480 HydrophobicContact CD1-CD1 4.35Å; F473-E481 CarbonylContact C-O 3.59Å; F473-E481 VanDerWaalsContact CA-O 3.23Å; F473-E481 WeakPolarHBondContact CA-O 3.35Å; F473-E482 HydrophobicContact CD1-CB 4.02Å; F473-E482 HydrophobicContact CD1-CG 4.12Å; F473-E482 HydrophobicContact CE1-CB 3.87Å; F473-E482 HydrophobicContact CE1-CG 3.59Å; F473-E482 HydrophobicContact CZ-CG 3.85Å
474	R	87.6	Confident	81.6	Confident	19 Å²	19	29.8 Å²	29.8	7%	0.072	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.4	171.6	63.4	-173.3	-178.4	-157.3	-13	111.6	D205 C206 P208 T447 S476 E481	D205-R474 IonicContact OD1-CZ 3.02Å; D205-R474 IonicContact OD1-NH1 3.83Å; D205-R474 PolarHBondContact OD1-NH1 2.98Å; D205-R474 IonicContact OD1-NH2 2.8Å; D205-R474 PolarHBondContact OD1-NH2 3.31Å; D205-R474 IonicContact OD2-NH2 3.34Å; C206-R474 PolarHBondContact O-NH1 2.57Å; P208-R474 HydrophobicContact CG-CB 4.2Å; P208-R474 HydrophobicContact CG-CG 4.47Å; T447-R474 CarbonylContact O-C 3.16Å; T447-R474 VanDerWaalsContact O-CA 3.32Å; T447-R474 WeakPolarHBondContact O-CA 3.43Å; R474-S476 PolarHBondContact O-N 2.03Å; R474-E481 HydrophobicContact CG-CB 3.78Å; R474-E481 HydrophobicContact CG-CG 4.26Å; R474-E481 IonicContact CZ-OE1 3.53Å; R474-E481 IonicContact CZ-OE2 3.53Å; R474-E481 PolarHBondContact N-O 2.76Å; R474-E481 IonicContact NE-OE1 3.31Å; R474-E481 IonicContact NE-OE2 3.57Å; R474-E481 PolarHBondContact NE-OE2 2.87Å; R474-E481 IonicContact NH2-OE1 2.98Å; R474-E481 PolarHBondContact NH2-OE1 3.28Å; R474-E481 IonicContact NH2-OE2 2.76Å; R474-E481 PolarHBondContact NH2-OE2 3.33Å; R474-E481 PolarHBondContact O-N 3.35Å
475	L	85	Confident	82.3	Confident	39 Å²	39	24.3 Å²	24.3	20%	0.204	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	104	169.2	-165.8	68.8	0	0	0	108.9	W351 W356 T447	W351-L475 HydrophobicContact CE3-CB 4.09Å; W356-L475 HydrophobicContact CH2-CD1 3.7Å; W356-L475 HydrophobicContact CZ2-CD1 4.49Å; W356-L475 HydrophobicContact CZ3-CD1 4.39Å; T447-L475 HydrophobicContact CG2-CB 4.47Å; T447-L475 PolarHBondContact O-N 3.48Å
476	S	74.1	Confident	82.7	Confident	5 Å²	5	23.9 Å²	23.9	4%	0.035	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	95.7	172.5	-163.8	0	0	0	0	106.9	H240 R474 S478 Y479	H240-S476 PolarHBondContact CD2-O 3.41Å; H240-S476 PolarHBondContact NE2-O 2.8Å; R474-S476 PolarHBondContact O-N 2.03Å; S476-S478 PolarHBondContact O-N 3.09Å; S476-Y479 PolarHBondContact N-O 3Å; S476-Y479 PolarHBondContact O-N 2.67Å
477	G	73	Confident	83	Confident	10 Å²	10	23 Å²	23	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	-102.2	-171.5	0	0	0	0	0	114.7	H240	H240-G477 VanDerWaalsContact CD2-CA 3.43Å; H240-G477 WeakPolarHBondContact CD2-CA 3.34Å; H240-G477 PolarHBondContact CD2-N 2.02Å; H240-G477 VanDerWaalsContact CD2-N 3.29Å
478	S	74.4	Confident	83.2	Confident	38 Å²	38	20.3 Å²	20.3	27%	0.266	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.6	-178.3	59.5	0	0	0	0	114.6	C241 S476	C241-S478 PolarHBondContact O-N 3.41Å; S476-S478 PolarHBondContact O-N 3.09Å
479	Y	79.7	Confident	82.8	Confident	75 Å²	75	19.2 Å²	19.2	29%	0.294	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.6	-178	-58.2	-99.5	0	0	0	110.8	H240 S476 F500 M501	H240-Y479 AromaticContact CE1-CD2 3.27Å; H240-Y479 WeakPolarHBondContact CE1-CD2 2.99Å; H240-Y479 AromaticContact CE1-CE2 3.47Å; H240-Y479 VanDerWaalsContact CE1-CE2 3.47Å; H240-Y479 WeakPolarHBondContact CE1-CE2 3.11Å; H240-Y479 AromaticContact NE2-CD2 3.23Å; H240-Y479 WeakPolarHBondContact NE2-CD2 2.96Å; H240-Y479 AromaticContact NE2-CE2 3.68Å; S476-Y479 PolarHBondContact N-O 3Å; S476-Y479 PolarHBondContact O-N 2.67Å; Y479-F500 CarbonylContact C-O 3.46Å; Y479-F500 WeakPolarHBondContact CA-O 3.32Å; Y479-M501 HydrophobicContact CD1-CG 3.65Å; Y479-M501 HydrophobicContact CE1-CG 3.31Å; Y479-M501 HydrophobicContact CE1-SD 3.99Å
480	L	87.2	Confident	82.5	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111	159.8	175.1	63.5	0	0	0	107.2	W351 I352 W356 L381 F473 F500	W351-L480 HydrophobicContact CE3-CD1 4.31Å; W351-L480 HydrophobicContact CH2-CD1 4.32Å; W351-L480 HydrophobicContact CZ3-CD1 3.5Å; I352-L480 HydrophobicContact CD1-CD1 4.12Å; I352-L480 HydrophobicContact CD1-CD2 4.1Å; I352-L480 HydrophobicContact CG1-CD1 3.87Å; I352-L480 HydrophobicContact CG1-CD2 3.73Å; I352-L480 HydrophobicContact CG1-CG 4.48Å; W356-L480 HydrophobicContact CB-CD2 4.29Å; W356-L480 HydrophobicContact CD2-CB 3.69Å; W356-L480 HydrophobicContact CD2-CD2 3.86Å; W356-L480 HydrophobicContact CD2-CG 4.45Å; W356-L480 HydrophobicContact CE3-CB 3.46Å; W356-L480 VanDerWaalsContact CE3-CB 3.46Å; W356-L480 HydrophobicContact CE3-CD2 4.49Å; W356-L480 HydrophobicContact CG-CB 4.31Å; W356-L480 HydrophobicContact CG-CD2 3.74Å; W356-L480 HydrophobicContact CH2-CB 4.09Å; W356-L480 HydrophobicContact CZ2-CB 4.29Å; W356-L480 HydrophobicContact CZ3-CB 3.68Å; L381-L480 HydrophobicContact CD2-CD2 3.71Å; F473-L480 HydrophobicContact CB-CD1 4.37Å; F473-L480 HydrophobicContact CD1-CD1 4.35Å; L480-F500 HydrophobicContact CB-CB 4.27Å; L480-F500 PolarHBondContact N-O 2.78Å; L480-F500 WeakPolarHBondContact O-CD2 3.3Å; L480-F500 PolarHBondContact O-N 2.03Å
481	E	87.3	Confident	81.8	Confident	7 Å²	7	19.9 Å²	19.9	3%	0.033	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.3	175.1	-177.7	171.1	-172.8	0	0	109.8	F473 R474 T497 K498 Y499	F473-E481 CarbonylContact C-O 3.59Å; F473-E481 VanDerWaalsContact CA-O 3.23Å; F473-E481 WeakPolarHBondContact CA-O 3.35Å; R474-E481 HydrophobicContact CG-CB 3.78Å; R474-E481 HydrophobicContact CG-CG 4.26Å; R474-E481 IonicContact CZ-OE1 3.53Å; R474-E481 IonicContact CZ-OE2 3.53Å; R474-E481 PolarHBondContact N-O 2.76Å; R474-E481 IonicContact NE-OE1 3.31Å; R474-E481 IonicContact NE-OE2 3.57Å; R474-E481 PolarHBondContact NE-OE2 2.87Å; R474-E481 IonicContact NH2-OE1 2.98Å; R474-E481 PolarHBondContact NH2-OE1 3.28Å; R474-E481 IonicContact NH2-OE2 2.76Å; R474-E481 PolarHBondContact NH2-OE2 3.33Å; R474-E481 PolarHBondContact O-N 3.35Å; E481-T497 HydrophobicContact CG-CG2 3.58Å; E481-T497 VanDerWaalsContact OE1-CG2 3.31Å; E481-T497 WeakPolarHBondContact OE1-CG2 3.18Å; E481-K498 CarbonylContact C-O 3.57Å; E481-K498 WeakPolarHBondContact CA-O 3.36Å; E481-Y499 HydrophobicContact CB-CD1 4.09Å; E481-Y499 HydrophobicContact CB-CE1 4.11Å; E481-Y499 HydrophobicContact CG-CD1 3.97Å; E481-Y499 HydrophobicContact CG-CE1 3.58Å; E481-Y499 WeakPolarHBondContact OE1-CE1 3.48Å; E481-Y499 PolarHBondContact OE1-OH 3.48Å
482	E	86.8	Confident	81.2	Confident	10 Å²	10	19 Å²	19	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	103.3	173.4	178.2	-166.2	-152.8	0	0	108.3	R471 H472 F473 T484 T497 K498 F500	R471-E482 IonicContact CZ-OE1 3.75Å; R471-E482 IonicContact NH1-OE1 2.67Å; R471-E482 PolarHBondContact NH1-OE1 2.95Å; H472-E482 WeakPolarHBondContact O-CA 3.01Å; F473-E482 HydrophobicContact CD1-CB 4.02Å; F473-E482 HydrophobicContact CD1-CG 4.12Å; F473-E482 HydrophobicContact CE1-CB 3.87Å; F473-E482 HydrophobicContact CE1-CG 3.59Å; F473-E482 HydrophobicContact CZ-CG 3.85Å; E482-T484 PolarHBondContact OE1-OG1 3.13Å; E482-T497 CarbonylContact O-C 3.59Å; E482-T497 WeakPolarHBondContact O-CA 3.38Å; E482-K498 HydrophobicContact CB-CB 4.34Å; E482-K498 PolarHBondContact N-O 3.11Å; E482-K498 PolarHBondContact O-N 3.46Å; E482-K498 WeakPolarHBondContact OE2-CD 3.28Å; E482-K498 IonicContact OE2-NZ 3.23Å; E482-K498 PolarHBondContact OE2-NZ 2.8Å; E482-F500 HydrophobicContact CB-CE2 3.91Å
483	T	85.1	Confident	80.4	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.3	167	-64.4	0	0	0	0	109.1	D205 R471 H472 Y495 T497	D205-T483 WeakPolarHBondContact OD2-CB 3.41Å; D205-T483 VanDerWaalsContact OD2-CG2 3.29Å; D205-T483 WeakPolarHBondContact OD2-CG2 3.24Å; D205-T483 PolarHBondContact OD2-OG1 2.83Å; R471-T483 CarbonylContact C-O 3.59Å; R471-T483 VanDerWaalsContact CA-O 3.26Å; R471-T483 WeakPolarHBondContact CA-O 3.03Å; H472-T483 PolarHBondContact N-O 3.23Å; H472-T483 PolarHBondContact O-N 3.05Å; T483-Y495 HydrophobicContact CG2-CD2 4.32Å; T483-Y495 HydrophobicContact CG2-CE2 3.25Å; T483-Y495 WeakPolarHBondContact CG2-OH 3.38Å; T483-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T483-T497 PolarHBondContact OG1-OG1 3.07Å
484	T	83.4	Confident	79.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	179.7	-58.1	0	0	0	0	111.3	T470 R471 E482 I486 F496	T470-T484 CarbonylContact O-C 3.56Å; T470-T484 WeakPolarHBondContact O-CA 3.49Å; R471-T484 HydrophobicContact CG-CG2 4.14Å; E482-T484 PolarHBondContact OE1-OG1 3.13Å; T484-I486 HydrophobicContact CG2-CD1 4.39Å; T484-I486 HydrophobicContact CG2-CG1 3.75Å; T484-F496 HydrophobicContact CG2-CE1 4.25Å; T484-F496 HydrophobicContact CG2-CE2 4.09Å; T484-F496 HydrophobicContact CG2-CZ 3.66Å; T484-F496 PolarHBondContact N-O 3.22Å; T484-F496 PolarHBondContact O-N 3.34Å
485	Q	83.4	Confident	78.7	Confident	11 Å²	11	25.9 Å²	25.9	5%	0.051	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.4	161.8	-175.2	-178.5	-32.4	0	0	109.1	L196 N197 A469 T470 F493 D494	L196-Q485 VanDerWaalsContact CA-OE1 3.31Å; L196-Q485 HydrophobicContact CD2-CB 4.1Å; N197-Q485 VanDerWaalsContact N-OE1 3.14Å; A469-Q485 CarbonylContact C-O 3.54Å; A469-Q485 VanDerWaalsContact CA-O 3.25Å; A469-Q485 WeakPolarHBondContact CA-O 3.4Å; T470-Q485 PolarHBondContact N-O 2.77Å; T470-Q485 PolarHBondContact O-N 3.41Å; Q485-F493 HydrophobicContact CG-CB 4.37Å; Q485-D494 CarbonylContact C-O 3.43Å; Q485-D494 VanDerWaalsContact CA-O 3.3Å; Q485-D494 WeakPolarHBondContact CA-O 3.16Å
486	I	81.7	Confident	78	Confident	6 Å²	6	24.8 Å²	24.8	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.5	173.7	-58.1	-179.1	0	0	0	108.2	F366 P466 T484 F493 D494 F496	F366-I486 HydrophobicContact CD1-CD1 4.16Å; F366-I486 HydrophobicContact CD2-CD1 3.69Å; F366-I486 HydrophobicContact CE1-CD1 4.21Å; F366-I486 HydrophobicContact CE2-CD1 3.77Å; F366-I486 HydrophobicContact CG-CD1 3.92Å; F366-I486 HydrophobicContact CZ-CD1 4.03Å; P466-I486 HydrophobicContact CB-CG2 3.67Å; P466-I486 HydrophobicContact CG-CG2 4.07Å; T484-I486 HydrophobicContact CG2-CD1 4.39Å; T484-I486 HydrophobicContact CG2-CG1 3.75Å; I486-F493 CarbonylContact O-C 3.48Å; I486-F493 WeakPolarHBondContact O-CA 3.5Å; I486-D494 PolarHBondContact N-O 3.06Å; I486-D494 PolarHBondContact O-N 2.04Å; I486-F496 HydrophobicContact CD1-CE1 3.84Å; I486-F496 HydrophobicContact CD1-CZ 3.95Å; I486-F496 HydrophobicContact CG1-CE1 4.16Å; I486-F496 HydrophobicContact CG1-CZ 4.39Å
487	T	80.2	Confident	78.1	Confident	16 Å²	16	26.1 Å²	26.1	10%	0.098	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.2	169.4	-54.4	0	0	0	0	109.5	I467 K468	I467-T487 WeakPolarHBondContact CG1-O 3.2Å; I467-T487 PolarHBondContact N-O 2.78Å; K468-T487 PolarHBondContact N-O 2.9Å; K468-T487 PolarHBondContact O-N 2.84Å
488	R	80.7	Confident	78.3	Confident	18 Å²	18	26 Å²	26	7%	0.068	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	166.5	177.5	-63.9	-175.8	173.5	94	1.8	111.1	H464 V465 D490 G491 S492 D494	H464-R488 WeakPolarHBondContact O-CD 3.36Å; H464-R488 PolarHBondContact O-NE 3.26Å; V465-R488 WeakPolarHBondContact O-CA 3.38Å; R488-D490 VanDerWaalsContact C-N 3.33Å; R488-D490 WeakPolarHBondContact CB-OD1 3.08Å; R488-D490 PolarHBondContact O-N 3.09Å; R488-G491 WeakPolarHBondContact O-CA 3.14Å; R488-G491 PolarHBondContact O-N 3.32Å; R488-S492 WeakPolarHBondContact CD-OG 3.46Å; R488-S492 PolarHBondContact N-O 3.33Å; R488-D494 IonicContact CZ-OD1 3.27Å; R488-D494 IonicContact CZ-OD2 3.16Å; R488-D494 VanDerWaalsContact CZ-OD2 3.29Å; R488-D494 IonicContact NH1-OD1 2.69Å; R488-D494 PolarHBondContact NH1-OD1 3.21Å; R488-D494 IonicContact NH1-OD2 2.8Å; R488-D494 PolarHBondContact NH1-OD2 2.97Å; R488-D494 VanDerWaalsContact NH1-OD2 3.14Å; R488-D494 IonicContact NH2-OD1 3.68Å; R488-D494 IonicContact NH2-OD2 2.61Å; R488-D494 PolarHBondContact NH2-OD2 3.29Å
489	K	72.6	Confident	78.7	Confident	49 Å²	49	29.5 Å²	29.5	21%	0.213	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-41.4	-178.8	-176.4	173.7	163.6	-172.1	0	113.1	E164 T177 P463 V465 I467 G491	E164-K489 VanDerWaalsContact CG-NZ 3.32Å; E164-K489 WeakPolarHBondContact OE1-CD 3.41Å; E164-K489 WeakPolarHBondContact OE1-CE 3.41Å; E164-K489 IonicContact OE1-NZ 2.7Å; E164-K489 PolarHBondContact OE1-NZ 2.77Å; E164-K489 WeakPolarHBondContact OE2-CE 3.3Å; E164-K489 IonicContact OE2-NZ 3.24Å; E164-K489 PolarHBondContact OE2-NZ 2.89Å; T177-K489 HydrophobicContact CG2-CG 3.5Å; T177-K489 WeakPolarHBondContact CG2-O 3.49Å; T177-K489 PolarHBondContact OG1-O 3.08Å; P463-K489 PolarHBondContact O-N 2.82Å; V465-K489 PolarHBondContact O-N 2.87Å; I467-K489 HydrophobicContact CG2-CB 3.83Å; I467-K489 HydrophobicContact CG2-CG 4.42Å; K489-G491 PolarHBondContact O-N 2.74Å
490	D	77.9	Confident	79	Confident	46 Å²	46	26 Å²	26	25%	0.246	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	4.7	172.5	61.3	13.4	0	0	0	114.6	K181 P463 H464 R488 S492	K181-D490 PolarHBondContact NZ-O 2.73Å; P463-D490 HydrophobicContact CB-CB 4.06Å; P463-D490 PolarHBondContact O-N 3.13Å; H464-D490 IonicContact CE1-OD2 2.67Å; H464-D490 PolarHBondContact CE1-OD2 3.26Å; H464-D490 IonicContact ND1-OD2 3.34Å; H464-D490 PolarHBondContact ND1-OD2 2.9Å; R488-D490 VanDerWaalsContact C-N 3.33Å; R488-D490 WeakPolarHBondContact CB-OD1 3.08Å; R488-D490 PolarHBondContact O-N 3.09Å; D490-S492 PolarHBondContact O-N 3.05Å; D490-S492 WeakPolarHBondContact OD1-CB 3.45Å; D490-S492 PolarHBondContact OD1-N 3.38Å; D490-S492 PolarHBondContact OD1-OG 3.12Å; D490-S492 PolarHBondContact OD2-OG 3.07Å
491	G	71	Confident	78.9	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	70.4	4.5	-175.8	0	0	0	0	0	113.9	K181 R488 K489	K181-G491 VanDerWaalsContact CD-O 3.24Å; K181-G491 WeakPolarHBondContact CD-O 3.12Å; K181-G491 PolarHBondContact NZ-O 3.19Å; R488-G491 WeakPolarHBondContact O-CA 3.14Å; R488-G491 PolarHBondContact O-N 3.32Å; K489-G491 PolarHBondContact O-N 2.74Å
492	S	74.1	Confident	78.9	Confident	34 Å²	34	33.5 Å²	33.5	24%	0.238	16%	0.157	C	C	.	.			trans	-65.3	152	166	66	0	0	0	0	108.6	K181 R488 D490	K181-S492 VanDerWaalsContact NZ-N 3.15Å; R488-S492 WeakPolarHBondContact CD-OG 3.46Å; R488-S492 PolarHBondContact N-O 3.33Å; D490-S492 PolarHBondContact O-N 3.05Å; D490-S492 WeakPolarHBondContact OD1-CB 3.45Å; D490-S492 PolarHBondContact OD1-N 3.38Å; D490-S492 PolarHBondContact OD1-OG 3.12Å; D490-S492 PolarHBondContact OD2-OG 3.07Å
493	F	73.4	Confident	78.8	Confident	52 Å²	52	36.1 Å²	36.1	23%	0.228	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.2	177	56.8	-88.1	0	0	0	109.8	N197 N198 E199 Q485 I486	N197-F493 WeakPolarHBondContact O-CD2 3Å; N197-F493 WeakPolarHBondContact O-CE2 3.31Å; N197-F493 WeakPolarHBondContact O-CZ 2.99Å; N198-F493 VanDerWaalsContact CA-CZ 3.48Å; E199-F493 HydrophobicContact CG-CZ 4.17Å; Q485-F493 HydrophobicContact CG-CB 4.37Å; I486-F493 CarbonylContact O-C 3.48Å; I486-F493 WeakPolarHBondContact O-CA 3.5Å
494	D	68	Low	78.8	Confident	36 Å²	36	41.6 Å²	41.6	19%	0.193	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.4	165.8	-76.8	-0.1	0	0	0	108.9	Q485 I486 R488	Q485-D494 CarbonylContact C-O 3.43Å; Q485-D494 VanDerWaalsContact CA-O 3.3Å; Q485-D494 WeakPolarHBondContact CA-O 3.16Å; I486-D494 PolarHBondContact N-O 3.06Å; I486-D494 PolarHBondContact O-N 2.04Å; R488-D494 IonicContact CZ-OD1 3.27Å; R488-D494 IonicContact CZ-OD2 3.16Å; R488-D494 VanDerWaalsContact CZ-OD2 3.29Å; R488-D494 IonicContact NH1-OD1 2.69Å; R488-D494 PolarHBondContact NH1-OD1 3.21Å; R488-D494 IonicContact NH1-OD2 2.8Å; R488-D494 PolarHBondContact NH1-OD2 2.97Å; R488-D494 VanDerWaalsContact NH1-OD2 3.14Å; R488-D494 IonicContact NH2-OD1 3.68Å; R488-D494 IonicContact NH2-OD2 2.61Å; R488-D494 PolarHBondContact NH2-OD2 3.29Å
495	Y	72.9	Confident	78.7	Confident	89 Å²	89	45.9 Å²	45.9	35%	0.349	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	172.5	175	-100.4	0	0	0	109.9	L196 T483 T497	L196-Y495 HydrophobicContact CD1-CD2 3.83Å; L196-Y495 HydrophobicContact CD1-CE2 3.11Å; L196-Y495 HydrophobicContact CD2-CD2 3.91Å; L196-Y495 HydrophobicContact CD2-CE2 3.7Å; L196-Y495 HydrophobicContact CG-CD2 4.33Å; L196-Y495 HydrophobicContact CG-CE2 3.96Å; T483-Y495 HydrophobicContact CG2-CD2 4.32Å; T483-Y495 HydrophobicContact CG2-CE2 3.25Å; T483-Y495 WeakPolarHBondContact CG2-OH 3.38Å; Y495-T497 PolarHBondContact OH-OG1 3.2Å
496	F	71	Confident	78.4	Confident	16 Å²	16	47.7 Å²	47.7	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	150.6	172.7	53	-90.3	0	0	0	111.3	F366 T484 I486 K498	F366-F496 HydrophobicContact CB-CD1 4.06Å; F366-F496 HydrophobicContact CB-CE1 3.5Å; F366-F496 HydrophobicContact CB-CZ 3.83Å; F366-F496 HydrophobicContact CD1-CE1 4.4Å; F366-F496 AromaticContact CD1-CZ 3.98Å; F366-F496 HydrophobicContact CD1-CZ 3.98Å; F366-F496 AromaticContact CG-CE1 4Å; F366-F496 HydrophobicContact CG-CE1 4Å; F366-F496 HydrophobicContact CG-CZ 4.05Å; T484-F496 HydrophobicContact CG2-CE1 4.25Å; T484-F496 HydrophobicContact CG2-CE2 4.09Å; T484-F496 HydrophobicContact CG2-CZ 3.66Å; T484-F496 PolarHBondContact N-O 3.22Å; T484-F496 PolarHBondContact O-N 3.34Å; I486-F496 HydrophobicContact CD1-CE1 3.84Å; I486-F496 HydrophobicContact CD1-CZ 3.95Å; I486-F496 HydrophobicContact CG1-CE1 4.16Å; I486-F496 HydrophobicContact CG1-CZ 4.39Å; F496-K498 HydrophobicContact CD2-CG 4.16Å
497	T	76.1	Confident	77.4	Confident	34 Å²	34	53.4 Å²	53.4	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.9	173.1	-56.3	0	0	0	0	109.5	E481 E482 T483 Y495 Y499	E481-T497 HydrophobicContact CG-CG2 3.58Å; E481-T497 VanDerWaalsContact OE1-CG2 3.31Å; E481-T497 WeakPolarHBondContact OE1-CG2 3.18Å; E482-T497 CarbonylContact O-C 3.59Å; E482-T497 WeakPolarHBondContact O-CA 3.38Å; T483-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T483-T497 PolarHBondContact OG1-OG1 3.07Å; Y495-T497 PolarHBondContact OH-OG1 3.2Å; T497-Y499 HydrophobicContact CG2-CE1 4.31Å; T497-Y499 HydrophobicContact CG2-CE2 3.8Å; T497-Y499 WeakPolarHBondContact CG2-OH 3.02Å
498	K	78.1	Confident	76.2	Confident	7 Å²	7	55 Å²	55	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.1	176.2	-54	-175.2	-161.1	142.4	0	113.4	Y360 E379 E481 E482 F496 F500	Y360-K498 HydrophobicContact CE2-CB 4.4Å; Y360-K498 HydrophobicContact CE2-CD 4.07Å; Y360-K498 HydrophobicContact CE2-CG 4.03Å; Y360-K498 WeakPolarHBondContact OH-CA 3.27Å; Y360-K498 WeakPolarHBondContact OH-CB 3.4Å; Y360-K498 VanDerWaalsContact OH-CG 3.24Å; Y360-K498 WeakPolarHBondContact OH-CG 3.2Å; E379-K498 WeakPolarHBondContact OE1-CE 3.24Å; E379-K498 IonicContact OE1-NZ 2.88Å; E379-K498 PolarHBondContact OE1-NZ 2.83Å; E379-K498 IonicContact OE2-NZ 3.1Å; E481-K498 CarbonylContact C-O 3.57Å; E481-K498 WeakPolarHBondContact CA-O 3.36Å; E482-K498 HydrophobicContact CB-CB 4.34Å; E482-K498 PolarHBondContact N-O 3.11Å; E482-K498 PolarHBondContact O-N 3.46Å; E482-K498 WeakPolarHBondContact OE2-CD 3.28Å; E482-K498 IonicContact OE2-NZ 3.23Å; E482-K498 PolarHBondContact OE2-NZ 2.8Å; F496-K498 HydrophobicContact CD2-CG 4.16Å; K498-F500 HydrophobicContact CB-CD2 4.16Å; K498-F500 HydrophobicContact CB-CE2 3.65Å; K498-F500 HydrophobicContact CB-CZ 4.3Å; K498-F500 HydrophobicContact CD-CE2 3.93Å; K498-F500 HydrophobicContact CD-CZ 3.79Å; K498-F500 HydrophobicContact CG-CE2 4.47Å
499	Y	82.1	Confident	76	Confident	111 Å²	111	56.9 Å²	56.9	44%	0.435	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	95.8	-180	-62.1	-83.9	0	0	0	109.2	V358 Y360 E481 T497	V358-Y499 VanDerWaalsContact CG2-O 3.27Å; V358-Y499 WeakPolarHBondContact CG2-O 3.38Å; Y360-Y499 PolarHBondContact OH-N 2.81Å; E481-Y499 HydrophobicContact CB-CD1 4.09Å; E481-Y499 HydrophobicContact CB-CE1 4.11Å; E481-Y499 HydrophobicContact CG-CD1 3.97Å; E481-Y499 HydrophobicContact CG-CE1 3.58Å; E481-Y499 WeakPolarHBondContact OE1-CE1 3.48Å; E481-Y499 PolarHBondContact OE1-OH 3.48Å; T497-Y499 HydrophobicContact CG2-CE1 4.31Å; T497-Y499 HydrophobicContact CG2-CE2 3.8Å; T497-Y499 WeakPolarHBondContact CG2-OH 3.02Å
500	F	85.6	Confident	76.2	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.7	-179	-59.5	-105.2	0	0	0	111.7	W356 V358 E379 L381 Y479 L480 E482 K498	W356-F500 HydrophobicContact CB-CB 3.68Å; W356-F500 HydrophobicContact CB-CD1 4.17Å; W356-F500 HydrophobicContact CB-CG 4.17Å; W356-F500 HydrophobicContact CE3-CB 4.44Å; V358-F500 HydrophobicContact CB-CB 4.48Å; V358-F500 HydrophobicContact CB-CD1 3.77Å; V358-F500 HydrophobicContact CB-CE1 4.18Å; V358-F500 HydrophobicContact CB-CG 4.08Å; V358-F500 HydrophobicContact CG1-CD1 3.53Å; V358-F500 HydrophobicContact CG1-CE1 3.42Å; V358-F500 VanDerWaalsContact CG1-CE1 3.42Å; V358-F500 HydrophobicContact CG1-CG 4.17Å; V358-F500 HydrophobicContact CG1-CZ 3.96Å; E379-F500 HydrophobicContact CB-CE1 4.33Å; E379-F500 HydrophobicContact CG-CE1 4.14Å; E379-F500 WeakPolarHBondContact OE1-CZ 3.01Å; L381-F500 HydrophobicContact CB-CD1 4.39Å; L381-F500 HydrophobicContact CB-CE1 4.06Å; Y479-F500 CarbonylContact C-O 3.46Å; Y479-F500 WeakPolarHBondContact CA-O 3.32Å; L480-F500 HydrophobicContact CB-CB 4.27Å; L480-F500 PolarHBondContact N-O 2.78Å; L480-F500 WeakPolarHBondContact O-CD2 3.3Å; L480-F500 PolarHBondContact O-N 2.03Å; E482-F500 HydrophobicContact CB-CE2 3.91Å; K498-F500 HydrophobicContact CB-CD2 4.16Å; K498-F500 HydrophobicContact CB-CE2 3.65Å; K498-F500 HydrophobicContact CB-CZ 4.3Å; K498-F500 HydrophobicContact CD-CE2 3.93Å; K498-F500 HydrophobicContact CD-CZ 3.79Å; K498-F500 HydrophobicContact CG-CE2 4.47Å
501	M	85.6	Confident	76.1	Confident	101 Å²	101	57.9 Å²	57.9	50%	0.498	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.9	170.9	-67.1	-179.9	-71.2	0	0	110.3	W356 R357 Y479 S503	W356-M501 CarbonylContact C-O 3.55Å; W356-M501 WeakPolarHBondContact CA-O 3.39Å; R357-M501 PolarHBondContact N-O 3.5Å; R357-M501 PolarHBondContact O-N 2.75Å; Y479-M501 HydrophobicContact CD1-CG 3.65Å; Y479-M501 HydrophobicContact CE1-CG 3.31Å; Y479-M501 HydrophobicContact CE1-SD 3.99Å; M501-S503 PolarHBondContact O-N 2.88Å
502	K	87.2	Confident	76.4	Confident	64 Å²	64	61.3 Å²	61.3	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.4	175.9	-157.8	164.3	-169.9	160	0	110	I353 W356 T505	I353-K502 WeakPolarHBondContact O-CE 3.26Å; I353-K502 PolarHBondContact O-NZ 2.94Å; W356-K502 HydrophobicContact CD2-CB 4.37Å; W356-K502 HydrophobicContact CD2-CG 4.34Å; W356-K502 HydrophobicContact CE3-CB 3.78Å; W356-K502 HydrophobicContact CE3-CG 4.24Å; W356-K502 HydrophobicContact CH2-CB 4.08Å; W356-K502 HydrophobicContact CH2-CD 3.86Å; W356-K502 HydrophobicContact CH2-CG 4.2Å; W356-K502 HydrophobicContact CZ2-CD 3.91Å; W356-K502 HydrophobicContact CZ2-CG 4.29Å; W356-K502 HydrophobicContact CZ3-CB 3.62Å; W356-K502 HydrophobicContact CZ3-CD 4.3Å; W356-K502 HydrophobicContact CZ3-CG 4.17Å; K502-T505 WeakPolarHBondContact CE-OG1 3.25Å
503	S	85.6	Confident	76.5	Confident	66 Å²	66	63 Å²	63	46%	0.462	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-29.3	179.3	63.7	0	0	0	0	113	T355 M501	T355-S503 WeakPolarHBondContact CB-OG 3.3Å; T355-S503 VanDerWaalsContact CG2-OG 3.31Å; T355-S503 WeakPolarHBondContact CG2-OG 3.38Å; T355-S503 PolarHBondContact O-N 3.37Å; T355-S503 PolarHBondContact O-OG 2.03Å; M501-S503 PolarHBondContact O-N 2.88Å
504	K	84.5	Confident	76.8	Confident	116 Å²	116	63.7 Å²	63.7	50%	0.504	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132	176.8	-169.9	170.4	175.8	-178.9	0	110.2	G354 T355 F506	G354-K504 CarbonylContact C-O 3.47Å; G354-K504 VanDerWaalsContact CA-O 3.29Å; G354-K504 WeakPolarHBondContact CA-O 3.01Å; T355-K504 PolarHBondContact N-O 3.01Å; T355-K504 PolarHBondContact O-N 2.76Å; K504-F506 HydrophobicContact CD-CD1 4.32Å; K504-F506 HydrophobicContact CD-CE1 3.68Å; K504-F506 HydrophobicContact CG-CD1 4.18Å; K504-F506 HydrophobicContact CG-CE1 3.87Å
505	T	81.5	Confident	77.4	Confident	89 Å²	89	65.7 Å²	65.7	55%	0.546	32%	0.324	S	S	.	.			trans	-98.3	140.5	167.7	-56	0	0	0	0	108.2	K502	K502-T505 WeakPolarHBondContact CE-OG1 3.25Å
506	F	76.2	Confident	77.7	Confident	50 Å²	50	63.9 Å²	63.9	22%	0.219	32%	0.322	C	S	.	.			trans	-98.5	131.6	173.6	-59.3	-39.9	0	0	0	108.6	I353 T355 T382 I383 K504 I508	I353-F506 HydrophobicContact CG2-CB 4.34Å; I353-F506 HydrophobicContact CG2-CD2 3.77Å; T355-F506 WeakPolarHBondContact OG1-CZ 3.47Å; T382-F506 HydrophobicContact CG2-CE2 3.95Å; T382-F506 HydrophobicContact CG2-CZ 3.74Å; I383-F506 WeakPolarHBondContact O-CD2 2.96Å; I383-F506 WeakPolarHBondContact O-CE2 3.36Å; K504-F506 HydrophobicContact CD-CD1 4.32Å; K504-F506 HydrophobicContact CD-CE1 3.68Å; K504-F506 HydrophobicContact CG-CD1 4.18Å; K504-F506 HydrophobicContact CG-CE1 3.87Å; F506-I508 HydrophobicContact CB-CD1 4Å; F506-I508 HydrophobicContact CB-CG1 4.01Å; F506-I508 PolarHBondContact O-N 3Å
507	D	61.8	Low	78.3	Confident	125 Å²	125	67.9 Å²	67.9	67%	0.668	34%	0.343	S	S	*	.			trans	-76.6	106.7	172.5	-63.7	-33.4	0	0	0	107.5	L339	L339-D507 HydrophobicContact CD1-CB 4.13Å
508	I	55.1	Low	78.5	Confident	51 Å²	51	71 Å²	71	26%	0.262	36%	0.355	S	S	.	.			trans	-125.1	0	-172.7	-70.6	-178.8	0	0	0	110.4	L339 L342 I353 N385 F506	L339-I508 VanDerWaalsContact CD2-C 3.45Å; L339-I508 WeakPolarHBondContact CD2-OXT 3.05Å; L339-I508 VanDerWaalsContact CG-C 3.47Å; L339-I508 WeakPolarHBondContact CG-OXT 3.39Å; L342-I508 HydrophobicContact CB-CG2 3.48Å; L342-I508 VanDerWaalsContact CB-CG2 3.48Å; L342-I508 HydrophobicContact CD2-CG2 4.3Å; L342-I508 HydrophobicContact CG-CG2 4.34Å; I353-I508 HydrophobicContact CB-CD1 4.27Å; I353-I508 HydrophobicContact CD1-CD1 3.93Å; I353-I508 HydrophobicContact CG2-CD1 3.25Å; N385-I508 HydrophobicContact CB-CD1 4.49Å; F506-I508 HydrophobicContact CB-CD1 4Å; F506-I508 HydrophobicContact CB-CG1 4.01Å; F506-I508 PolarHBondContact O-N 3Å

Retrieved 508 of 508 residues in 93.3 ms (Link to these results)

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