X5J5N8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J5N8_MOUSE|X5J5N8
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	P	63.4	Low	86.6	Confident	138 Å²	138	81.8 Å²	81.8	90%	0.896	48%	0.481	S	S	*	.				0	120.9	0	-4	24.4	0	0	0	110.3	T105	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.41Å; P1-T105 HydrophobicContact CB-CG2 4.35Å
2	S	80.4	Confident	87.4	Confident	68 Å²	68	76.3 Å²	76.3	48%	0.476	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.8	175.4	-48.7	0	0	0	0	110	T105 L106 T107	S2-T105 PolarHBondContact N-O 3.3Å; S2-L106 WeakPolarHBondContact O-CA 3.27Å; S2-T107 PolarHBondContact O-N 2.58Å
3	L	84.1	Confident	88.1	Confident	127 Å²	127	75.8 Å²	75.8	67%	0.665	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.8	179.1	-166.7	67.7	0	0	0	109.9	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.49Å; L3-T107 HydrophobicContact CD1-CG2 4.12Å; L3-S109 VanDerWaalsContact CD1-OG 3.3Å; L3-S109 WeakPolarHBondContact CD1-OG 3.28Å
4	V	86.6	Confident	88.7	Confident	21 Å²	21	71.1 Å²	71.1	13%	0.127	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	-179.2	-172.6	0	0	0	0	109.2	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.04Å; V4-V77 HydrophobicContact CG1-CG2 3.93Å; V4-T107 PolarHBondContact N-O 3.01Å; V4-V108 HydrophobicContact CB-CG2 4.45Å; V4-V108 WeakPolarHBondContact O-CA 3.36Å; V4-S109 PolarHBondContact O-N 2.88Å
5	K	87.6	Confident	89.1	Confident	136 Å²	136	71.3 Å²	71.3	59%	0.591	43%	0.426	S	S	*	.			trans	-82	150.1	176.5	-66.5	-175.3	177.5	-175.5	0	110.6	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.15Å; K5-Q8 PolarHBondContact O-N 3.44Å; K5-V77 WeakPolarHBondContact O-CG2 3.46Å
6	P	90.1	Very high	89.2	Confident	48 Å²	48	67.9 Å²	67.9	31%	0.312	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	154.3	173.9	-25.2	34.1	0	0	0	112.8	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.17Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; P6-V77 CarbonylContact C-O 3.56Å; P6-V77 WeakPolarHBondContact CA-O 3.2Å; P6-V108 HydrophobicContact CG-CG1 4.23Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
7	S	89.7	Confident	89.3	Confident	99 Å²	99	69.6 Å²	69.6	69%	0.692	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	1.5	180	-52.3	0	0	0	0	115.6	V77	S7-V77 PolarHBondContact N-O 2.9Å
8	Q	91.1	Very high	89	Confident	95 Å²	95	71.1 Å²	71.1	44%	0.444	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-77.1	162.8	171.7	-65	-171.1	-47.2	0	0	111.4	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.04Å; K5-Q8 HydrophobicContact CB-CG 4.19Å; K5-Q8 WeakPolarHBondContact O-CB 3.41Å; K5-Q8 WeakPolarHBondContact O-CG 3.15Å; K5-Q8 PolarHBondContact O-N 3.44Å; P6-Q8 PolarHBondContact O-N 3.17Å; P6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-S76 PolarHBondContact O-N 3.39Å; Q8-V77 HydrophobicContact CB-CG2 4.43Å; Q8-V77 WeakPolarHBondContact O-CG2 3.28Å; Q8-V77 PolarHBondContact O-N 2.82Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	93	Very high	88.7	Confident	73 Å²	73	69.7 Å²	69.7	45%	0.448	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-92.5	125	167.7	-65.8	0	0	0	0	109.2	Q73 L74 N75	T9-Q73 HydrophobicContact CG2-CG 3.45Å; T9-Q73 VanDerWaalsContact CG2-CG 3.45Å; T9-L74 WeakPolarHBondContact CA-O 3.41Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N75 PolarHBondContact OG1-OD1 2.62Å
10	L	92.3	Very high	88.7	Confident	16 Å²	16	68.4 Å²	68.4	8%	0.084	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.3	169.5	171.4	67.5	0	0	0	109.3	L12 Q73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.32Å; L10-L12 HydrophobicContact CD1-CG 4.19Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CD1 4.5Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.33Å; L10-L74 HydrophobicContact CB-CB 4.36Å; L10-L74 HydrophobicContact CD2-CD2 4.43Å; L10-L74 PolarHBondContact N-O 3.45Å; L10-L74 PolarHBondContact O-N 3.02Å; L10-V77 HydrophobicContact CB-CG1 3.8Å; L10-L106 HydrophobicContact CD1-CD1 3.38Å; L10-L106 HydrophobicContact CD1-CD2 4.43Å; L10-L106 HydrophobicContact CD2-CD1 3.16Å; L10-L106 HydrophobicContact CG-CD1 3.84Å
11	S	94.9	Very high	88.7	Confident	79 Å²	79	65.2 Å²	65.2	55%	0.552	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.6	169.8	-172	0	0	0	0	109.3	L72	S11-L72 CarbonylContact C-O 3.51Å; S11-L72 WeakPolarHBondContact CA-O 3.4Å
12	L	96.2	Very high	89.9	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.8	177.9	-72.3	174.3	0	0	0	110	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.32Å; L10-L12 HydrophobicContact CD1-CG 4.19Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CG 4.2Å; L10-L12 HydrophobicContact CG-CD1 4.5Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.62Å; L12-W28 HydrophobicContact CB-CZ2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.09Å; L12-F71 CarbonylContact O-C 3.55Å; L12-F71 WeakPolarHBondContact O-CA 2.94Å; L12-L72 HydrophobicContact CB-CB 4.35Å; L12-L72 HydrophobicContact CD1-CD2 4.29Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.08Å; L12-Y85 VanDerWaalsContact CD1-CB 3.44Å; L12-Y85 HydrophobicContact CD1-CD1 3.7Å; L12-Y85 HydrophobicContact CD1-CD2 4.19Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.51Å; L12-T104 HydrophobicContact CD2-CG2 4.1Å; L12-L106 HydrophobicContact CD1-CD1 4.13Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CG-CD1 4.4Å
13	T	96.7	Very high	90.1	Very high	71 Å²	71	60.5 Å²	60.5	44%	0.436	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.3	178.3	-56.4	0	0	0	0	109.2	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.17Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.47Å; T13-F71 VanDerWaalsContact CG2-CE1 3.47Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 VanDerWaalsContact OG1-CD1 3.31Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.37Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.39Å
14	C	95.4	Very high	90.3	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	163.9	-174.1	0	0	0	0	109.1	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-Q69 WeakPolarHBondContact O-CA 3.34Å; C14-F70 HydrophobicContact CB-CD1 3.95Å; C14-F70 HydrophobicContact CB-CE1 3.48Å; C14-F70 VanDerWaalsContact CB-CE1 3.48Å; C14-F70 HydrophobicContact CB-CE2 4.22Å; C14-F70 HydrophobicContact CB-CZ 3.66Å; C14-F70 PolarHBondContact N-O 3.23Å; C14-F70 PolarHBondContact O-N 3.12Å; C14-F70 VanDerWaalsContact SG-CE1 3.55Å; C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.34Å; C14-C87 WeakPolarHBondContact SG-CB 3.2Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.81Å
15	S	94.9	Very high	90.5	Very high	75 Å²	75	54.8 Å²	54.8	52%	0.524	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.6	174.5	-55.6	0	0	0	0	108.8	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.05Å; S15-Q69 PolarHBondContact OG-NE2 3.13Å
16	V	91.3	Very high	90.8	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.103	32%	0.323	C	S	.	.			trans	-93.5	132.8	179.7	179.5	0	0	0	0	109	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 4.07Å; V16-D19 WeakPolarHBondContact CG1-O 3.3Å; V16-I21 HydrophobicContact CB-CG2 3.97Å; V16-I21 HydrophobicContact CG2-CG2 3.57Å; V16-W26 HydrophobicContact CB-CH2 4.21Å; V16-W26 HydrophobicContact CB-CZ2 4.43Å; V16-W26 HydrophobicContact CG1-CH2 3.56Å; V16-W26 HydrophobicContact CG1-CZ2 3.78Å; V16-W26 HydrophobicContact CG1-CZ3 4.45Å; V16-W26 HydrophobicContact CG2-CD2 4.34Å; V16-W26 HydrophobicContact CG2-CE3 4.06Å; V16-W26 HydrophobicContact CG2-CH2 3.5Å; V16-W26 HydrophobicContact CG2-CZ2 3.83Å; V16-W26 HydrophobicContact CG2-CZ3 3.63Å; V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 3.09Å; V16-F70 HydrophobicContact CG2-CD1 4.37Å; V16-F70 HydrophobicContact CG2-CE1 4.1Å
17	S	89.7	Confident	91.1	Very high	97 Å²	97	46.4 Å²	46.4	68%	0.678	31%	0.309	S	S	*	.			trans	-123.8	142	174.2	56.1	0	0	0	0	109.5	D19	S17-D19 PolarHBondContact O-N 2.85Å
18	G	85.3	Confident	91.4	Very high	95 Å²	95	42 Å²	42	98%	0.979	28%	0.277	S	S	*	.	S	Bend	trans	76.1	-2.2	-179.8	0	0	0	0	0	115.8
19	D	82.9	Confident	91.7	Very high	46 Å²	46	37.8 Å²	37.8	25%	0.246	26%	0.257	C	S	.	.	S	Bend	trans	-146.9	173.8	172.4	-171.8	25.2	0	0	0	110.2	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 4.07Å; V16-D19 WeakPolarHBondContact CG1-O 3.3Å; S17-D19 PolarHBondContact O-N 2.85Å; D19-S23 WeakPolarHBondContact OD1-CB 3.49Å; D19-S23 PolarHBondContact OD1-OG 3.01Å; D19-S23 PolarHBondContact OD2-OG 3.32Å; D19-N68 PolarHBondContact O-ND2 3.3Å; D19-R89 VanDerWaalsContact CG-NH1 3.27Å; D19-R89 WeakPolarHBondContact OD2-CD 3.31Å; D19-R89 IonicContact OD2-CZ 3.14Å; D19-R89 IonicContact OD2-NE 3.69Å; D19-R89 IonicContact OD2-NH1 3.78Å; D19-R89 PolarHBondContact OD2-NH1 2.82Å
20	S	87.9	Confident	91.9	Very high	42 Å²	42	34.8 Å²	34.8	29%	0.294	24%	0.238	S	C	.	.			trans	-104.9	140.1	175.6	-178	0	0	0	0	112.3	T22 S23 N68	S20-T22 PolarHBondContact O-N 3.47Å; S20-T22 PolarHBondContact OG-N 2.89Å; S20-T22 VanDerWaalsContact OG-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 2.76Å; S20-S23 WeakPolarHBondContact O-CB 3.45Å; S20-S23 PolarHBondContact O-N 2.87Å; S20-S23 PolarHBondContact O-OG 3.12Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å
21	I	89.8	Confident	92.1	Very high	3 Å²	3	36 Å²	36	2%	0.015	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.9	170.1	65.2	171.9	0	0	0	113.5	V16 W26 R63 D64 T65 N68 Q69 F70	V16-I21 HydrophobicContact CB-CG2 3.97Å; V16-I21 HydrophobicContact CG2-CG2 3.57Å; I21-W26 VanDerWaalsContact CA-NE1 3.31Å; I21-W26 VanDerWaalsContact O-CD1 3.3Å; I21-W26 PolarHBondContact O-NE1 3.13Å; I21-R63 HydrophobicContact CD1-CB 3.92Å; I21-R63 HydrophobicContact CD1-CG 4.49Å; I21-D64 WeakPolarHBondContact CD1-O 3.44Å; I21-T65 HydrophobicContact CD1-CG2 3.97Å; I21-T65 HydrophobicContact CG1-CG2 4.18Å; I21-N68 PolarHBondContact N-OD1 2.78Å; I21-Q69 WeakPolarHBondContact CD1-O 3.21Å; I21-F70 HydrophobicContact CG2-CD1 4.18Å
22	T	88.9	Confident	92.2	Very high	67 Å²	67	34.3 Å²	34.3	41%	0.411	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8.7	176	68.6	0	0	0	0	113.4	S20 Y45 T65	S20-T22 PolarHBondContact O-N 3.47Å; S20-T22 PolarHBondContact OG-N 2.89Å; S20-T22 VanDerWaalsContact OG-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 2.76Å; T22-Y45 WeakPolarHBondContact O-CB 3.09Å; T22-T65 HydrophobicContact CG2-CG2 3.63Å
23	S	84.3	Confident	91.9	Very high	40 Å²	40	38.5 Å²	38.5	28%	0.28	25%	0.254	S	S	.	.	S	Bend	trans	-88.8	-19	-178.4	70.2	0	0	0	0	113.7	D19 S20 Y91	D19-S23 WeakPolarHBondContact OD1-CB 3.49Å; D19-S23 PolarHBondContact OD1-OG 3.01Å; D19-S23 PolarHBondContact OD2-OG 3.32Å; S20-S23 WeakPolarHBondContact O-CB 3.45Å; S20-S23 PolarHBondContact O-N 2.87Å; S20-S23 PolarHBondContact O-OG 3.12Å; S23-Y91 VanDerWaalsContact O-CE1 3.28Å; S23-Y91 WeakPolarHBondContact O-CE1 3.33Å
24	G	87.3	Confident	91.6	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	-168.8	-143.8	-170.8	0	0	0	0	0	114.2	N44 Y45	G24-N44 CarbonylContact O-C 3.6Å; G24-Y45 PolarHBondContact O-N 3.29Å
25	Y	92.3	Very high	91.3	Very high	26 Å²	26	44 Å²	44	10%	0.102	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127	-178.6	-69.5	-107.3	0	0	0	108.8	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 2.87Å; Y25-Y42 HydrophobicContact CD1-CD1 4.47Å; Y25-Y42 AromaticContact CD1-CD2 3.7Å; Y25-Y42 HydrophobicContact CD1-CD2 3.7Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.19Å; Y25-Y42 HydrophobicContact CE1-CD2 4.33Å; Y25-Y42 AromaticContact CE1-CE2 3.78Å; Y25-Y42 HydrophobicContact CE1-CE2 3.78Å; Y25-N44 HydrophobicContact CD1-CB 3.56Å; Y25-N44 HydrophobicContact CE1-CB 3.48Å; Y25-N44 VanDerWaalsContact CE1-CB 3.48Å; Y25-N44 HydrophobicContact CE2-CB 4.49Å; Y25-N44 HydrophobicContact CG-CB 4.12Å; Y25-Y45 HydrophobicContact CE2-CD1 4.41Å; Y25-Y45 HydrophobicContact CE2-CE1 4.35Å; Y25-R89 WeakPolarHBondContact O-CA 3.45Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.48Å; Y25-D90 PolarHBondContact N-O 2.89Å; Y25-D90 PolarHBondContact O-N 3.05Å; Y25-Y92 AromaticContact CE2-CD2 3.93Å; Y25-Y92 HydrophobicContact CE2-CD2 3.93Å; Y25-Y92 HydrophobicContact CE2-CG 4.41Å; Y25-Y92 AromaticContact CZ-CD2 3.81Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.38Å
26	W	93.9	Very high	91.3	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.6	-177.1	-70.1	94.2	0	0	0	109.6	V16 I21 Y42 I43 F70 R89 Y99	V16-W26 HydrophobicContact CB-CH2 4.21Å; V16-W26 HydrophobicContact CB-CZ2 4.43Å; V16-W26 HydrophobicContact CG1-CH2 3.56Å; V16-W26 HydrophobicContact CG1-CZ2 3.78Å; V16-W26 HydrophobicContact CG1-CZ3 4.45Å; V16-W26 HydrophobicContact CG2-CD2 4.34Å; V16-W26 HydrophobicContact CG2-CE3 4.06Å; V16-W26 HydrophobicContact CG2-CH2 3.5Å; V16-W26 HydrophobicContact CG2-CZ2 3.83Å; V16-W26 HydrophobicContact CG2-CZ3 3.63Å; I21-W26 VanDerWaalsContact CA-NE1 3.31Å; I21-W26 VanDerWaalsContact O-CD1 3.3Å; I21-W26 PolarHBondContact O-NE1 3.13Å; W26-Y42 CarbonylContact O-C 3.59Å; W26-Y42 WeakPolarHBondContact O-CA 3.47Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; W26-I43 HydrophobicContact CB-CG2 4.32Å; W26-I43 PolarHBondContact N-O 3.31Å; W26-I43 PolarHBondContact O-N 2.59Å; W26-F70 HydrophobicContact CB-CD1 4.12Å; W26-F70 HydrophobicContact CB-CD2 4.16Å; W26-F70 HydrophobicContact CB-CE1 3.85Å; W26-F70 HydrophobicContact CB-CE2 3.91Å; W26-F70 HydrophobicContact CB-CG 4.24Å; W26-F70 HydrophobicContact CB-CZ 3.71Å; W26-F70 HydrophobicContact CD2-CD1 4.45Å; W26-F70 AromaticContact CD2-CE1 3.86Å; W26-F70 HydrophobicContact CD2-CE1 3.86Å; W26-F70 HydrophobicContact CD2-CZ 4.31Å; W26-F70 HydrophobicContact CE3-CD1 4.48Å; W26-F70 AromaticContact CE3-CE1 3.51Å; W26-F70 HydrophobicContact CE3-CE1 3.51Å; W26-F70 AromaticContact CE3-CZ 3.82Å; W26-F70 HydrophobicContact CE3-CZ 3.82Å; W26-F70 HydrophobicContact CG-CD1 4.31Å; W26-F70 HydrophobicContact CG-CE1 4.03Å; W26-F70 HydrophobicContact CG-CZ 4.31Å; W26-F70 HydrophobicContact CZ3-CE1 4.33Å; W26-R89 HydrophobicContact CD2-CB 4.38Å; W26-R89 HydrophobicContact CD2-CG 4.33Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.4Å; W26-R89 HydrophobicContact CH2-CB 3.86Å; W26-R89 HydrophobicContact CH2-CG 4.01Å; W26-R89 HydrophobicContact CZ2-CB 4.24Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.7Å; W26-R89 HydrophobicContact CZ3-CG 4.25Å; W26-Y99 HydrophobicContact CZ3-CD1 4.3Å
27	N	95.3	Very high	91.5	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.1	-166.7	-64.4	-98.6	0	0	0	110.4	Y25 I29 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 2.87Å; N27-I29 HydrophobicContact CB-CG1 4.5Å; N27-W39 PolarHBondContact OD1-NE1 2.64Å; N27-G41 WeakPolarHBondContact CA-O 3.48Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.49Å; N27-C87 CarbonylContact O-C 3.51Å; N27-C87 VanDerWaalsContact O-CA 3.29Å; N27-C87 WeakPolarHBondContact O-CA 3.16Å; N27-A88 HydrophobicContact CB-CB 4.44Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact O-N 3.01Å; N27-D90 PolarHBondContact ND2-OD1 2.9Å; N27-F97 HydrophobicContact CB-CE1 4.02Å; N27-F97 HydrophobicContact CB-CZ 4.49Å; N27-F97 VanDerWaalsContact CG-CE1 3.49Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.39Å
28	W	97	Very high	91.8	Very high	7 Å²	7	48 Å²	48	3%	0.027	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.7	164.6	-77.3	101.2	0	0	0	109.9	L12 C14 M40 G41 F70 L72 Y86	L12-W28 HydrophobicContact CB-CH2 3.62Å; L12-W28 HydrophobicContact CB-CZ2 4.2Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-W28 HydrophobicContact CD1-CZ3 4.09Å; C14-W28 HydrophobicContact CB-CH2 4.02Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 WeakPolarHBondContact O-CB 3.36Å; W28-M40 PolarHBondContact O-N 2.93Å; W28-G41 PolarHBondContact N-O 2.83Å; W28-F70 AromaticContact CD1-CE2 3.79Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.94Å; W28-F70 AromaticContact CE2-CE2 3.65Å; W28-F70 HydrophobicContact CG-CE2 4.42Å; W28-F70 HydrophobicContact CZ2-CD2 4.29Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.29Å; W28-F70 VanDerWaalsContact NE1-CD2 3.29Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; W28-L72 HydrophobicContact CB-CD2 4.12Å; W28-L72 HydrophobicContact CD2-CB 3.6Å; W28-L72 HydrophobicContact CD2-CD2 3.91Å; W28-L72 HydrophobicContact CD2-CG 4.34Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 4.04Å; W28-L72 HydrophobicContact CG-CB 3.8Å; W28-L72 HydrophobicContact CG-CD1 4.41Å; W28-L72 HydrophobicContact CG-CD2 3.96Å; W28-L72 HydrophobicContact CG-CG 4.29Å; W28-L72 HydrophobicContact CZ2-CB 3.9Å; W28-Y86 WeakPolarHBondContact CA-O 3.27Å
29	I	96.8	Very high	92.3	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.1	-178.5	-57.7	171.4	0	0	0	108	N27 L37 E38 Y86 A88 F97 W100	N27-I29 HydrophobicContact CB-CG1 4.5Å; I29-L37 HydrophobicContact CG2-CB 4.28Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; I29-E38 CarbonylContact C-O 3.53Å; I29-E38 WeakPolarHBondContact CA-O 3.43Å; I29-Y86 PolarHBondContact N-O 2.98Å; I29-Y86 PolarHBondContact O-N 2.75Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; I29-F97 HydrophobicContact CD1-CD2 3.96Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.59Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; I29-W100 HydrophobicContact CB-CH2 4.44Å; I29-W100 HydrophobicContact CB-CZ3 4.18Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 3.91Å; I29-W100 HydrophobicContact CD1-CZ3 3.69Å; I29-W100 HydrophobicContact CG1-CH2 4.45Å; I29-W100 HydrophobicContact CG2-CH2 4.13Å; I29-W100 HydrophobicContact CG2-CZ3 4.11Å
30	R	96.8	Very high	92.9	Very high	9 Å²	9	45.2 Å²	45.2	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.9	173.2	176.5	169.6	65.6	-174.4	11	110	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NH2-CZ 3.27Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.42Å; R30-E38 IonicContact CZ-OE2 3.44Å; R30-E38 PolarHBondContact N-O 3.04Å; R30-E38 IonicContact NE-OE2 3.65Å; R30-E38 PolarHBondContact NE-OE2 2.95Å; R30-E38 IonicContact NH2-OE2 3.68Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 3.42Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.87Å; R30-D81 IonicContact CZ-OD1 3.04Å; R30-D81 VanDerWaalsContact NH1-CA 3.29Å; R30-D81 IonicContact NH1-OD1 2.67Å; R30-D81 PolarHBondContact NH1-OD1 3.09Å; R30-D81 IonicContact NH2-OD1 2.64Å; R30-T84 CarbonylContact C-O 3.58Å; R30-Y85 HydrophobicContact CB-CD1 4.3Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.44Å; R30-Y85 HydrophobicContact CG-CE1 4.21Å; R30-Y85 HydrophobicContact CG-CE2 4.43Å; R30-Y85 PolarHBondContact NH1-OH 3.31Å
31	Q	97.3	Very high	93.3	Very high	42 Å²	42	43.2 Å²	43.2	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120	168.1	-170	-179.4	42.9	0	0	109.6	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.86Å; Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.39Å; Q31-L37 HydrophobicContact CB-CD2 3.63Å; Q31-L37 HydrophobicContact CG-CD2 3.75Å; Q31-G83 CarbonylContact O-C 3.54Å; Q31-G83 WeakPolarHBondContact O-CA 3.18Å; Q31-T84 PolarHBondContact N-O 3.5Å; Q31-T84 PolarHBondContact O-N 2.91Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.64Å; Q31-Y86 PolarHBondContact OE1-OH 3.13Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.12Å
32	F	95.4	Very high	93.6	Very high	43 Å²	43	46.1 Å²	46.1	19%	0.189	25%	0.25	C	C	.	.			trans	-76.5	158.9	174.9	-66.1	-84.2	0	0	0	111.6	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NH2-CZ 3.27Å; F32-G34 PolarHBondContact O-N 2.92Å; F32-N35 PolarHBondContact O-N 3.04Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.88Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.31Å; F32-E80 WeakPolarHBondContact CE1-O 3.36Å
33	P	89.9	Confident	93.9	Very high	104 Å²	104	43.3 Å²	43.3	68%	0.675	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	126.3	160.3	-23.4	33.9	0	0	0	109.8	T82	P33-T82 WeakPolarHBondContact CD-O 3.38Å; P33-T82 HydrophobicContact CG-CG2 4.32Å
34	G	91.2	Very high	94.3	Very high	71 Å²	71	42 Å²	42	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	13.4	-171.6	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.92Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å
35	N	88.9	Confident	94.5	Very high	125 Å²	125	47.9 Å²	47.9	67%	0.668	24%	0.244	S	C	*	.	S	Bend	trans	67.4	9.7	169.1	-58.2	-42.5	0	0	0	116.6	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.86Å; F32-N35 PolarHBondContact O-N 3.04Å; N35-L37 PolarHBondContact O-N 3.14Å
36	K	94.7	Very high	94.4	Very high	144 Å²	144	49.9 Å²	49.9	63%	0.626	26%	0.262	S	S	*	.			trans	-69.2	128.7	171.4	-177.9	-177.6	176.3	-173	0	109.8	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.48Å; Q31-K36 WeakPolarHBondContact CA-O 3.39Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.29Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.33Å; F32-K36 PolarHBondContact N-O 2.88Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å
37	L	95.1	Very high	94.4	Very high	91 Å²	91	51 Å²	51	48%	0.476	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.3	174.6	-63.3	173.7	0	0	0	111.2	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.28Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.42Å; Q31-L37 HydrophobicContact CB-CD2 3.63Å; Q31-L37 HydrophobicContact CG-CD2 3.75Å; N35-L37 PolarHBondContact O-N 3.14Å; L37-W100 HydrophobicContact CD1-CH2 4.28Å
38	E	96.2	Very high	94.4	Very high	38 Å²	38	53.9 Å²	53.9	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.5	172.7	176	179.3	-121.3	0	0	109.2	I29 R30 F32 M40	I29-E38 CarbonylContact C-O 3.53Å; I29-E38 WeakPolarHBondContact CA-O 3.43Å; R30-E38 IonicContact CZ-OE2 3.44Å; R30-E38 PolarHBondContact N-O 3.04Å; R30-E38 IonicContact NE-OE2 3.65Å; R30-E38 PolarHBondContact NE-OE2 2.95Å; R30-E38 IonicContact NH2-OE2 3.68Å; R30-E38 PolarHBondContact NH2-OE2 3.06Å; R30-E38 PolarHBondContact O-N 3.42Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.31Å; E38-M40 PolarHBondContact O-N 2.77Å
39	W	95.9	Very high	94.3	Very high	81 Å²	81	56.3 Å²	56.3	31%	0.307	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.5	169.2	176.3	81	0	0	0	109.1	N27 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 2.64Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CE1 4.22Å; W39-Y42 HydrophobicContact CZ2-CG 4.35Å; W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.09Å; W39-N52 VanDerWaalsContact O-CB 3.31Å; W39-N52 WeakPolarHBondContact O-CB 3.36Å; W39-N52 PolarHBondContact O-ND2 3.05Å
40	M	96.8	Very high	94.3	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-39.4	-177.7	-58.1	-176.7	72.2	0	0	111.7	W28 R30 E38 N52 L55 I59 L72 L74 Y85	W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 WeakPolarHBondContact O-CB 3.36Å; W28-M40 PolarHBondContact O-N 2.93Å; R30-M40 HydrophobicContact CB-CG 4.23Å; R30-M40 HydrophobicContact CB-SD 3.87Å; E38-M40 PolarHBondContact O-N 2.77Å; M40-N52 WeakPolarHBondContact O-CB 3.29Å; M40-N52 PolarHBondContact O-N 3.33Å; M40-L55 HydrophobicContact CB-CD1 4.06Å; M40-L55 HydrophobicContact CE-CD1 4.05Å; M40-L55 HydrophobicContact CG-CD1 3.88Å; M40-I59 HydrophobicContact CB-CD1 4.37Å; M40-I59 HydrophobicContact CE-CG2 3.98Å; M40-I59 WeakPolarHBondContact O-CD1 3.31Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 3.79Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; M40-L74 HydrophobicContact CE-CD2 4.46Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å
41	G	96.1	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	173.3	-175.4	0	0	0	0	0	111.8	N27 W28 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 2.83Å; G41-S50 CarbonylContact C-O 3.59Å; G41-S50 WeakPolarHBondContact CA-O 3.16Å; G41-I61 VanDerWaalsContact C-CD1 3.45Å
42	Y	95.6	Very high	94.2	Very high	64 Å²	64	59.2 Å²	59.2	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.5	171.3	71.5	-113.4	0	0	0	112.4	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.47Å; Y25-Y42 AromaticContact CD1-CD2 3.7Å; Y25-Y42 HydrophobicContact CD1-CD2 3.7Å; Y25-Y42 HydrophobicContact CD1-CE1 4.4Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.19Å; Y25-Y42 HydrophobicContact CE1-CD2 4.33Å; Y25-Y42 AromaticContact CE1-CE2 3.78Å; Y25-Y42 HydrophobicContact CE1-CE2 3.78Å; W26-Y42 CarbonylContact O-C 3.59Å; W26-Y42 WeakPolarHBondContact O-CA 3.47Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.49Å; W39-Y42 HydrophobicContact CH2-CD1 4.46Å; W39-Y42 AromaticContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CD1 3.57Å; W39-Y42 HydrophobicContact CZ2-CE1 4.22Å; W39-Y42 HydrophobicContact CZ2-CG 4.35Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.23Å; Y42-T49 VanDerWaalsContact O-CA 3.27Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; Y42-S50 VanDerWaalsContact CE1-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.87Å; Y42-S50 PolarHBondContact O-N 2.87Å; Y42-S50 VanDerWaalsContact O-N 3.07Å
43	I	95.6	Very high	94.2	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.9	159.9	-169.3	162.4	0	0	0	109.3	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.32Å; W26-I43 PolarHBondContact N-O 3.31Å; W26-I43 PolarHBondContact O-N 2.59Å; I43-S48 WeakPolarHBondContact CA-O 3.41Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 3.92Å; I43-T49 HydrophobicContact CG1-CG2 3.85Å; I43-I61 HydrophobicContact CB-CG2 3.74Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; I43-R63 HydrophobicContact CD1-CB 4Å; I43-R63 HydrophobicContact CD1-CG 3.75Å; I43-F70 HydrophobicContact CG2-CB 4.27Å; I43-F70 HydrophobicContact CG2-CD2 4.42Å
44	N	93	Very high	94.4	Very high	12 Å²	12	62 Å²	62	6%	0.064	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	176.7	-178.3	77.4	-2.8	0	0	0	112.2	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.6Å; Y25-N44 HydrophobicContact CD1-CB 3.56Å; Y25-N44 HydrophobicContact CE1-CB 3.48Å; Y25-N44 VanDerWaalsContact CE1-CB 3.48Å; Y25-N44 HydrophobicContact CE2-CB 4.49Å; Y25-N44 HydrophobicContact CG-CB 4.12Å; Y42-N44 HydrophobicContact CD2-CB 4.39Å; Y42-N44 HydrophobicContact CE2-CB 4.23Å; N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.49Å; N44-S46 PolarHBondContact O-N 3.45Å; N44-S46 WeakPolarHBondContact OD1-CA 3.47Å; N44-S46 PolarHBondContact OD1-N 3.1Å; N44-S46 PolarHBondContact OD1-OG 2.88Å; N44-G47 WeakPolarHBondContact O-CA 3.2Å; N44-G47 PolarHBondContact O-N 2.88Å; N44-G47 PolarHBondContact OD1-N 3.44Å; N44-S48 PolarHBondContact N-O 3.09Å; N44-S48 WeakPolarHBondContact OD1-CA 3.48Å; N44-S48 WeakPolarHBondContact OD1-CB 3.49Å; N44-S48 PolarHBondContact OD1-N 2.71Å; N44-S48 PolarHBondContact OD1-O 2.86Å; N44-R63 PolarHBondContact O-NH1 2.96Å
45	Y	90.1	Very high	94.6	Very high	125 Å²	125	58.9 Å²	58.9	49%	0.49	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.5	177.4	67.7	-88.3	0	0	0	114.6	T22 G24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.09Å; G24-Y45 PolarHBondContact O-N 3.29Å; Y25-Y45 HydrophobicContact CE2-CD1 4.41Å; Y25-Y45 HydrophobicContact CE2-CE1 4.35Å; Y45-G47 VanDerWaalsContact C-N 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.11Å; Y45-R63 PolarHBondContact O-NH2 2.78Å
46	S	91.7	Very high	94.8	Very high	68 Å²	68	59.6 Å²	59.6	48%	0.476	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.9	173.5	63.2	0	0	0	0	113.5	N44 S48 R63	N44-S46 VanDerWaalsContact CG-OG 3.31Å; N44-S46 PolarHBondContact ND2-OG 3.49Å; N44-S46 PolarHBondContact O-N 3.45Å; N44-S46 WeakPolarHBondContact OD1-CA 3.47Å; N44-S46 PolarHBondContact OD1-N 3.1Å; N44-S46 PolarHBondContact OD1-OG 2.88Å; S46-S48 PolarHBondContact OG-OG 2.76Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å; S46-R63 VanDerWaalsContact C-NH2 3.26Å
47	G	92.9	Very high	94.8	Very high	29 Å²	29	58.1 Å²	58.1	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	87.6	6.1	-177.7	0	0	0	0	0	113.8	N44 Y45 R63	N44-G47 WeakPolarHBondContact O-CA 3.2Å; N44-G47 PolarHBondContact O-N 2.88Å; N44-G47 PolarHBondContact OD1-N 3.44Å; Y45-G47 VanDerWaalsContact C-N 3.34Å; G47-R63 VanDerWaalsContact CA-CZ 3.47Å; G47-R63 VanDerWaalsContact N-CZ 3.31Å; G47-R63 VanDerWaalsContact N-NH2 3.16Å
48	S	94.5	Very high	94.8	Very high	64 Å²	64	56.4 Å²	56.4	45%	0.448	31%	0.312	S	S	.	.			trans	-73.4	138.5	173.6	-52.2	0	0	0	0	110.2	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.41Å; N44-S48 PolarHBondContact N-O 3.09Å; N44-S48 WeakPolarHBondContact OD1-CA 3.48Å; N44-S48 WeakPolarHBondContact OD1-CB 3.49Å; N44-S48 PolarHBondContact OD1-N 2.71Å; N44-S48 PolarHBondContact OD1-O 2.86Å; S46-S48 PolarHBondContact OG-OG 2.76Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å
49	T	96.3	Very high	94.8	Very high	58 Å²	58	55 Å²	55	36%	0.356	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.7	-177.4	48.9	0	0	0	0	111.8	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.27Å; Y42-T49 WeakPolarHBondContact O-CA 3.46Å; I43-T49 HydrophobicContact CB-CG2 3.99Å; I43-T49 HydrophobicContact CD1-CG2 3.92Å; I43-T49 HydrophobicContact CG1-CG2 3.85Å; T49-Y51 PolarHBondContact OG1-OH 3.45Å; T49-I61 HydrophobicContact CG2-CB 4.36Å
50	S	95.7	Very high	94.9	Very high	42 Å²	42	53 Å²	53	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.5	166.4	-171.3	0	0	0	0	108.8	G41 Y42	G41-S50 CarbonylContact C-O 3.59Å; G41-S50 WeakPolarHBondContact CA-O 3.16Å; Y42-S50 VanDerWaalsContact CE1-CB 3.4Å; Y42-S50 PolarHBondContact N-O 2.87Å; Y42-S50 PolarHBondContact O-N 2.87Å; Y42-S50 VanDerWaalsContact O-N 3.07Å
51	Y	96.9	Very high	94.9	Very high	48 Å²	48	53.2 Å²	53.2	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.2	-171.7	-58.8	-68.6	0	0	0	110.3	T49 P53 K56 I59 I61	T49-Y51 PolarHBondContact OG1-OH 3.45Å; Y51-P53 WeakPolarHBondContact O-CD 3.48Å; Y51-K56 HydrophobicContact CD2-CG 4.13Å; Y51-K56 HydrophobicContact CG-CG 4.35Å; Y51-I59 HydrophobicContact CD1-CD1 3.5Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.34Å; Y51-I59 HydrophobicContact CE1-CG1 4.1Å; Y51-I59 HydrophobicContact CG-CD1 4.22Å; Y51-I59 HydrophobicContact CG-CG1 4.3Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å
52	N	96.2	Very high	94.9	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.15	33%	0.325	C	S	.	.			trans	-61.5	124.4	164.5	-176.3	-32.2	0	0	0	108.9	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.09Å; W39-N52 VanDerWaalsContact O-CB 3.31Å; W39-N52 WeakPolarHBondContact O-CB 3.36Å; W39-N52 PolarHBondContact O-ND2 3.05Å; M40-N52 WeakPolarHBondContact O-CB 3.29Å; M40-N52 PolarHBondContact O-N 3.33Å; N52-S54 PolarHBondContact O-N 3.1Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 2.97Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.34Å; N52-L55 HydrophobicContact CB-CG 4.5Å; N52-L55 PolarHBondContact O-N 2.79Å; N52-K56 PolarHBondContact O-N 2.92Å
53	P	95.7	Very high	94.9	Very high	112 Å²	112	56.8 Å²	56.8	73%	0.727	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.1	-178.2	-28.8	35.6	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-L55 PolarHBondContact O-N 2.05Å
54	S	93.3	Very high	94.9	Very high	94 Å²	94	58.3 Å²	58.3	66%	0.657	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.4	179.7	-59.3	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 3.1Å; N52-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact OD1-N 2.97Å
55	L	94.5	Very high	94.9	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-12.8	-176.2	-62.4	175.4	0	0	0	113.1	M40 N52 P53 S57 R58 I59	M40-L55 HydrophobicContact CB-CD1 4.06Å; M40-L55 HydrophobicContact CE-CD1 4.05Å; M40-L55 HydrophobicContact CG-CD1 3.88Å; N52-L55 HydrophobicContact CB-CB 4.41Å; N52-L55 HydrophobicContact CB-CD1 4.34Å; N52-L55 HydrophobicContact CB-CG 4.5Å; N52-L55 PolarHBondContact O-N 2.79Å; P53-L55 PolarHBondContact O-N 2.05Å; L55-S57 PolarHBondContact O-N 2.67Å; L55-R58 PolarHBondContact O-N 3.36Å; L55-I59 HydrophobicContact CB-CD1 3.82Å; L55-I59 HydrophobicContact CB-CG1 4.25Å; L55-I59 HydrophobicContact CB-CG2 4.05Å; L55-I59 WeakPolarHBondContact O-CG1 3.23Å; L55-I59 PolarHBondContact O-N 2.93Å; L55-I59 VanDerWaalsContact O-N 3.08Å
56	K	93.4	Very high	95.1	Very high	140 Å²	140	60.5 Å²	60.5	61%	0.609	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-31	-170.5	-173.6	175.9	-178.3	-178.6	0	114.9	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.13Å; Y51-K56 HydrophobicContact CG-CG 4.35Å; N52-K56 PolarHBondContact O-N 2.92Å
57	S	95.1	Very high	95.3	Very high	113 Å²	113	63.4 Å²	63.4	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.9	178.4	58	0	0	0	0	114.1	L55	L55-S57 PolarHBondContact O-N 2.67Å
58	R	95.5	Very high	95.3	Very high	54 Å²	54	63.6 Å²	63.6	20%	0.204	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-22.7	-173.7	-56.7	-164.4	-60.9	131.5	-2.8	113.4	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.36Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; R58-N75 PolarHBondContact O-N 3.18Å; R58-S76 PolarHBondContact NH1-O 3.48Å; R58-D81 IonicContact CZ-OD1 3.36Å; R58-D81 IonicContact CZ-OD2 3.63Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 PolarHBondContact NH1-OD1 2.87Å; R58-D81 IonicContact NH1-OD2 2.71Å; R58-D81 PolarHBondContact NH1-OD2 2.94Å; R58-D81 IonicContact NH2-OD1 3.62Å; R58-D81 PolarHBondContact NH2-OD1 2.93Å; R58-D81 IonicContact NH2-OD2 2.86Å
59	I	96.6	Very high	95.4	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.3	-175.3	68	180	0	0	0	113	M40 Y51 L55 L72 Q73 L74	M40-I59 HydrophobicContact CB-CD1 4.37Å; M40-I59 HydrophobicContact CE-CG2 3.98Å; M40-I59 WeakPolarHBondContact O-CD1 3.31Å; Y51-I59 HydrophobicContact CD1-CD1 3.5Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.34Å; Y51-I59 HydrophobicContact CE1-CG1 4.1Å; Y51-I59 HydrophobicContact CG-CD1 4.22Å; Y51-I59 HydrophobicContact CG-CG1 4.3Å; L55-I59 HydrophobicContact CB-CD1 3.82Å; L55-I59 HydrophobicContact CB-CG1 4.25Å; L55-I59 HydrophobicContact CB-CG2 4.05Å; L55-I59 WeakPolarHBondContact O-CG1 3.23Å; L55-I59 PolarHBondContact O-N 2.93Å; L55-I59 VanDerWaalsContact O-N 3.08Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.25Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.19Å; I59-L74 HydrophobicContact CG2-CB 4.48Å; I59-L74 HydrophobicContact CG2-CD1 3.48Å; I59-L74 VanDerWaalsContact CG2-CD1 3.48Å
60	S	97.3	Very high	95.4	Very high	38 Å²	38	59.9 Å²	59.9	27%	0.266	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.1	168.2	179.1	0	0	0	0	108.8	Q73	S60-Q73 PolarHBondContact N-O 2.86Å; S60-Q73 PolarHBondContact O-N 3.01Å
61	I	97.6	Very high	95.4	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.9	177.6	-60.5	169	0	0	0	108.2	G41 I43 T49 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.45Å; I43-I61 HydrophobicContact CB-CG2 3.74Å; I43-I61 HydrophobicContact CG2-CG2 3.74Å; T49-I61 HydrophobicContact CG2-CB 4.36Å; Y51-I61 HydrophobicContact CD1-CD1 4.16Å; Y51-I61 HydrophobicContact CE1-CB 4.15Å; Y51-I61 HydrophobicContact CE1-CD1 3.98Å; Y51-I61 HydrophobicContact CE1-CG1 3.92Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.49Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å
62	T	96.6	Very high	95.5	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	169.9	-179	64.4	0	0	0	0	110.8	F70 F71	T62-F70 CarbonylContact O-C 3.46Å; T62-F70 VanDerWaalsContact O-CA 3.31Å; T62-F70 WeakPolarHBondContact O-CA 2.99Å; T62-F70 WeakPolarHBondContact O-CB 3.43Å; T62-F71 PolarHBondContact N-O 2.88Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 2.87Å
63	R	95.4	Very high	95.5	Very high	71 Å²	71	60.1 Å²	60.1	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.2	178.5	69.6	-180	-174.6	169.5	4.6	112.7	I21 I43 N44 Y45 S46 G47 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.92Å; I21-R63 HydrophobicContact CD1-CG 4.49Å; I43-R63 HydrophobicContact CD1-CB 4Å; I43-R63 HydrophobicContact CD1-CG 3.75Å; N44-R63 PolarHBondContact O-NH1 2.96Å; Y45-R63 VanDerWaalsContact O-CZ 3.26Å; Y45-R63 PolarHBondContact O-NH1 3.11Å; Y45-R63 PolarHBondContact O-NH2 2.78Å; S46-R63 VanDerWaalsContact C-NH2 3.26Å; G47-R63 VanDerWaalsContact CA-CZ 3.47Å; G47-R63 VanDerWaalsContact N-CZ 3.31Å; G47-R63 VanDerWaalsContact N-NH2 3.16Å; R63-Q69 WeakPolarHBondContact CA-O 3.43Å; R63-F70 HydrophobicContact CB-CB 4.04Å
64	D	95.1	Very high	95.5	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	100.4	170.7	-175.8	-14.8	0	0	0	108.3	I21 S66 K67 N68 Q69 F71	I21-D64 WeakPolarHBondContact CD1-O 3.44Å; D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 PolarHBondContact OD1-OG 2.87Å; D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 2.83Å; D64-K67 PolarHBondContact OD1-N 2.67Å; D64-K67 WeakPolarHBondContact OD2-CD 3.37Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 3.4Å; D64-K67 WeakPolarHBondContact OD2-CG 3Å; D64-K67 IonicContact OD2-NZ 2.76Å; D64-N68 PolarHBondContact O-N 3.36Å; D64-Q69 PolarHBondContact N-O 2.89Å; D64-Q69 PolarHBondContact O-N 3.36Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.28Å
65	T	93.4	Very high	95.7	Very high	79 Å²	79	52.8 Å²	52.8	49%	0.485	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.3	-179	52.9	0	0	0	0	112.5	I21 T22 K67 N68	I21-T65 HydrophobicContact CD1-CG2 3.97Å; I21-T65 HydrophobicContact CG1-CG2 4.18Å; T22-T65 HydrophobicContact CG2-CG2 3.63Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 3.02Å; T65-N68 PolarHBondContact O-N 2.91Å
66	S	93.4	Very high	95.6	Very high	103 Å²	103	56 Å²	56	72%	0.72	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.8	177	76.2	0	0	0	0	112.1	D64	D64-S66 PolarHBondContact O-N 2.96Å; D64-S66 WeakPolarHBondContact OD1-CB 3.45Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 PolarHBondContact OD1-OG 2.87Å
67	K	95.1	Very high	95.7	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-3	178.8	-62.7	-177.8	-169	163.4	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.39Å; D64-K67 PolarHBondContact O-N 2.83Å; D64-K67 PolarHBondContact OD1-N 2.67Å; D64-K67 WeakPolarHBondContact OD2-CD 3.37Å; D64-K67 VanDerWaalsContact OD2-CE 3.27Å; D64-K67 WeakPolarHBondContact OD2-CE 3.4Å; D64-K67 WeakPolarHBondContact OD2-CG 3Å; D64-K67 IonicContact OD2-NZ 2.76Å; T65-K67 VanDerWaalsContact C-N 3.28Å; T65-K67 PolarHBondContact O-N 3.02Å; K67-Q69 VanDerWaalsContact C-N 3.26Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.11Å; K67-Q69 PolarHBondContact O-N 2.95Å
68	N	94.7	Very high	95.6	Very high	33 Å²	33	46.4 Å²	46.4	18%	0.176	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.3	-173.3	-156	36.3	0	0	0	112.8	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.85Å; V16-N68 PolarHBondContact O-ND2 3.09Å; D19-N68 PolarHBondContact O-ND2 3.3Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å; I21-N68 PolarHBondContact N-OD1 2.78Å; D64-N68 PolarHBondContact O-N 3.36Å; T65-N68 PolarHBondContact O-N 2.91Å
69	Q	95.9	Very high	95.5	Very high	43 Å²	43	47.6 Å²	47.6	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.1	-174.8	-76.6	173.6	-14	0	0	111.8	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.17Å; C14-Q69 WeakPolarHBondContact O-CA 3.34Å; S15-Q69 WeakPolarHBondContact OG-CG 3.05Å; S15-Q69 PolarHBondContact OG-NE2 3.13Å; I21-Q69 WeakPolarHBondContact CD1-O 3.21Å; R63-Q69 WeakPolarHBondContact CA-O 3.43Å; D64-Q69 PolarHBondContact N-O 2.89Å; D64-Q69 PolarHBondContact O-N 3.36Å; K67-Q69 VanDerWaalsContact C-N 3.26Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.11Å; K67-Q69 PolarHBondContact O-N 2.95Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.65Å
70	F	95.6	Very high	95.3	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.1	166.5	71.6	-79.3	0	0	0	111	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.95Å; C14-F70 HydrophobicContact CB-CE1 3.48Å; C14-F70 VanDerWaalsContact CB-CE1 3.48Å; C14-F70 HydrophobicContact CB-CE2 4.22Å; C14-F70 HydrophobicContact CB-CZ 3.66Å; C14-F70 PolarHBondContact N-O 3.23Å; C14-F70 PolarHBondContact O-N 3.12Å; C14-F70 VanDerWaalsContact SG-CE1 3.55Å; V16-F70 HydrophobicContact CG2-CD1 4.37Å; V16-F70 HydrophobicContact CG2-CE1 4.1Å; I21-F70 HydrophobicContact CG2-CD1 4.18Å; W26-F70 HydrophobicContact CB-CD1 4.12Å; W26-F70 HydrophobicContact CB-CD2 4.16Å; W26-F70 HydrophobicContact CB-CE1 3.85Å; W26-F70 HydrophobicContact CB-CE2 3.91Å; W26-F70 HydrophobicContact CB-CG 4.24Å; W26-F70 HydrophobicContact CB-CZ 3.71Å; W26-F70 HydrophobicContact CD2-CD1 4.45Å; W26-F70 AromaticContact CD2-CE1 3.86Å; W26-F70 HydrophobicContact CD2-CE1 3.86Å; W26-F70 HydrophobicContact CD2-CZ 4.31Å; W26-F70 HydrophobicContact CE3-CD1 4.48Å; W26-F70 AromaticContact CE3-CE1 3.51Å; W26-F70 HydrophobicContact CE3-CE1 3.51Å; W26-F70 AromaticContact CE3-CZ 3.82Å; W26-F70 HydrophobicContact CE3-CZ 3.82Å; W26-F70 HydrophobicContact CG-CD1 4.31Å; W26-F70 HydrophobicContact CG-CE1 4.03Å; W26-F70 HydrophobicContact CG-CZ 4.31Å; W26-F70 HydrophobicContact CZ3-CE1 4.33Å; W28-F70 AromaticContact CD1-CE2 3.79Å; W28-F70 HydrophobicContact CD2-CE2 4.33Å; W28-F70 AromaticContact CE2-CD2 3.94Å; W28-F70 AromaticContact CE2-CE2 3.65Å; W28-F70 HydrophobicContact CG-CE2 4.42Å; W28-F70 HydrophobicContact CZ2-CD2 4.29Å; W28-F70 HydrophobicContact CZ2-CE2 4.1Å; W28-F70 AromaticContact NE1-CD2 3.29Å; W28-F70 VanDerWaalsContact NE1-CD2 3.29Å; W28-F70 AromaticContact NE1-CE2 3.28Å; W28-F70 VanDerWaalsContact NE1-CE2 3.28Å; I43-F70 HydrophobicContact CG2-CB 4.27Å; I43-F70 HydrophobicContact CG2-CD2 4.42Å; T62-F70 CarbonylContact O-C 3.46Å; T62-F70 VanDerWaalsContact O-CA 3.31Å; T62-F70 WeakPolarHBondContact O-CA 2.99Å; T62-F70 WeakPolarHBondContact O-CB 3.43Å; R63-F70 HydrophobicContact CB-CB 4.04Å; F70-C87 HydrophobicContact CE1-CB 4.1Å; F70-C87 HydrophobicContact CE2-CB 4.09Å; F70-C87 HydrophobicContact CZ-CB 3.34Å
71	F	97.1	Very high	95.2	Very high	40 Å²	40	52.7 Å²	52.7	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.9	-163.6	-48.9	-89	0	0	0	110.7	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.55Å; L12-F71 WeakPolarHBondContact O-CA 2.94Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.47Å; T13-F71 VanDerWaalsContact CG2-CE1 3.47Å; T13-F71 HydrophobicContact CG2-CZ 4.37Å; T13-F71 VanDerWaalsContact OG1-CD1 3.31Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.37Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.39Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.49Å; T62-F71 PolarHBondContact N-O 2.88Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 2.87Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.28Å; Q69-F71 HydrophobicContact CB-CE1 4.29Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.65Å
72	L	97.8	Very high	95	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122	167.6	171.5	69.6	0	0	0	108.4	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.51Å; S11-L72 WeakPolarHBondContact CA-O 3.4Å; L12-L72 HydrophobicContact CB-CB 4.35Å; L12-L72 HydrophobicContact CD1-CD2 4.29Å; L12-L72 PolarHBondContact N-O 2.84Å; L12-L72 PolarHBondContact O-N 3.08Å; W28-L72 HydrophobicContact CB-CD2 4.12Å; W28-L72 HydrophobicContact CD2-CB 3.6Å; W28-L72 HydrophobicContact CD2-CD2 3.91Å; W28-L72 HydrophobicContact CD2-CG 4.34Å; W28-L72 HydrophobicContact CE3-CB 4.26Å; W28-L72 HydrophobicContact CE3-CD2 4.04Å; W28-L72 HydrophobicContact CG-CB 3.8Å; W28-L72 HydrophobicContact CG-CD1 4.41Å; W28-L72 HydrophobicContact CG-CD2 3.96Å; W28-L72 HydrophobicContact CG-CG 4.29Å; W28-L72 HydrophobicContact CZ2-CB 3.9Å; M40-L72 HydrophobicContact CE-CD1 4.4Å; M40-L72 HydrophobicContact CE-CD2 3.79Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; I59-L72 HydrophobicContact CB-CD1 4.09Å; I59-L72 HydrophobicContact CG2-CD1 4.25Å; I61-L72 HydrophobicContact CG1-CD1 3.93Å; L72-Y85 HydrophobicContact CD2-CD1 4.06Å; L72-Y85 HydrophobicContact CD2-CE1 4.37Å
73	Q	97.1	Very high	95	Very high	83 Å²	83	50.9 Å²	50.9	39%	0.388	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	166.4	-169.2	177.8	25.6	0	0	108.4	T9 L10 I59 S60	T9-Q73 HydrophobicContact CG2-CG 3.45Å; T9-Q73 VanDerWaalsContact CG2-CG 3.45Å; L10-Q73 CarbonylContact O-C 3.53Å; L10-Q73 WeakPolarHBondContact O-CA 3.33Å; I59-Q73 CarbonylContact C-O 3.58Å; I59-Q73 VanDerWaalsContact CA-O 3.25Å; I59-Q73 WeakPolarHBondContact CA-O 3.19Å; S60-Q73 PolarHBondContact N-O 2.86Å; S60-Q73 PolarHBondContact O-N 3.01Å
74	L	96.1	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.3	174	174.1	66	0	0	0	108.5	T9 L10 M40 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.41Å; L10-L74 HydrophobicContact CB-CB 4.36Å; L10-L74 HydrophobicContact CD2-CD2 4.43Å; L10-L74 PolarHBondContact N-O 3.45Å; L10-L74 PolarHBondContact O-N 3.02Å; M40-L74 HydrophobicContact CE-CD2 4.46Å; R58-L74 HydrophobicContact CB-CD1 3.96Å; I59-L74 HydrophobicContact CG2-CB 4.48Å; I59-L74 HydrophobicContact CG2-CD1 3.48Å; I59-L74 VanDerWaalsContact CG2-CD1 3.48Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; L74-D81 HydrophobicContact CD2-CB 4Å
75	N	95.5	Very high	95.2	Very high	52 Å²	52	46.7 Å²	46.7	28%	0.278	26%	0.258	S	S	.	.			trans	-90.7	151	-177.4	-63.8	-45.2	0	0	0	111.7	T9 R58	T9-N75 WeakPolarHBondContact CG2-OD1 3.33Å; T9-N75 PolarHBondContact OG1-OD1 2.62Å; R58-N75 PolarHBondContact O-N 3.18Å
76	S	93.5	Very high	95.4	Very high	73 Å²	73	45 Å²	45	51%	0.51	24%	0.243	S	C	.	.	S	Bend	trans	53	57.4	176.1	-54.5	0	0	0	0	112	Q8 R58	Q8-S76 PolarHBondContact O-N 3.39Å; R58-S76 PolarHBondContact NH1-O 3.48Å
77	V	94.4	Very high	95.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	21%	0.213	C	C	.	.			trans	-63.4	141.6	-177.8	-61.6	0	0	0	0	111.8	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.93Å; K5-V77 WeakPolarHBondContact O-CG2 3.46Å; P6-V77 CarbonylContact C-O 3.56Å; P6-V77 WeakPolarHBondContact CA-O 3.2Å; S7-V77 PolarHBondContact N-O 2.9Å; Q8-V77 HydrophobicContact CB-CG2 4.43Å; Q8-V77 WeakPolarHBondContact O-CG2 3.28Å; Q8-V77 PolarHBondContact O-N 2.82Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.8Å; L74-V77 HydrophobicContact CD2-CG1 3.96Å; L74-V77 HydrophobicContact CG-CG1 3.97Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.25Å; V77-D81 HydrophobicContact CB-CB 4.49Å; V77-V108 HydrophobicContact CB-CG2 4.21Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.17Å
78	T	94.3	Very high	95.4	Very high	48 Å²	48	34.6 Å²	34.6	29%	0.294	19%	0.187	S	C	.	.			trans	-119	167.1	176.4	69.7	0	0	0	0	110.4	E80 D81 V108	T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-E80 PolarHBondContact OG1-N 2.83Å; T78-D81 PolarHBondContact N-OD2 3.07Å; T78-D81 WeakPolarHBondContact O-CB 3.17Å; T78-D81 PolarHBondContact O-N 2.9Å; T78-D81 PolarHBondContact OG1-OD2 2.93Å; T78-V108 WeakPolarHBondContact O-CB 3.38Å; T78-V108 WeakPolarHBondContact O-CG1 3.31Å
79	P	93.7	Very high	95.3	Very high	79 Å²	79	34.9 Å²	34.9	51%	0.513	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-53.5	-29.9	172.7	-29.3	37.9	0	0	0	114	D81 T82	P79-D81 PolarHBondContact O-N 2.9Å; P79-T82 WeakPolarHBondContact O-CB 3.17Å; P79-T82 PolarHBondContact O-N 3.3Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 3.25Å
80	E	92.1	Very high	94.9	Very high	154 Å²	154	34.3 Å²	34.3	72%	0.72	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-65.5	-21.1	175.1	-59.3	174.7	179.6	0	0	112.6	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.36Å; T78-E80 PolarHBondContact O-N 2.86Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-E80 PolarHBondContact OG1-N 2.83Å; E80-T82 PolarHBondContact O-N 2.74Å
81	D	94	Very high	94.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-80.4	4.3	175.4	-59.4	-50.5	0	0	0	113.2	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.04Å; R30-D81 VanDerWaalsContact NH1-CA 3.29Å; R30-D81 IonicContact NH1-OD1 2.67Å; R30-D81 PolarHBondContact NH1-OD1 3.09Å; R30-D81 IonicContact NH2-OD1 2.64Å; R58-D81 IonicContact CZ-OD1 3.36Å; R58-D81 IonicContact CZ-OD2 3.63Å; R58-D81 IonicContact NH1-OD1 3.39Å; R58-D81 PolarHBondContact NH1-OD1 2.87Å; R58-D81 IonicContact NH1-OD2 2.71Å; R58-D81 PolarHBondContact NH1-OD2 2.94Å; R58-D81 IonicContact NH2-OD1 3.62Å; R58-D81 PolarHBondContact NH2-OD1 2.93Å; R58-D81 IonicContact NH2-OD2 2.86Å; L74-D81 HydrophobicContact CD2-CB 4Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.25Å; V77-D81 HydrophobicContact CB-CB 4.49Å; T78-D81 PolarHBondContact N-OD2 3.07Å; T78-D81 WeakPolarHBondContact O-CB 3.17Å; T78-D81 PolarHBondContact O-N 2.9Å; T78-D81 PolarHBondContact OG1-OD2 2.93Å; P79-D81 PolarHBondContact O-N 2.9Å; D81-G83 PolarHBondContact O-N 2.76Å; D81-Y85 WeakPolarHBondContact O-CE2 3.45Å; D81-Y85 PolarHBondContact O-OH 2.86Å
82	T	95.2	Very high	92.7	Very high	31 Å²	31	46.2 Å²	46.2	19%	0.19	23%	0.23	C	C	.	.			trans	-64.6	129.5	171.8	-66.3	0	0	0	0	111.1	P33 P79 E80 T107 V108	P33-T82 WeakPolarHBondContact CD-O 3.38Å; P33-T82 HydrophobicContact CG-CG2 4.32Å; P79-T82 WeakPolarHBondContact O-CB 3.17Å; P79-T82 PolarHBondContact O-N 3.3Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 3.25Å; E80-T82 PolarHBondContact O-N 2.74Å; T82-T107 HydrophobicContact CG2-CG2 4.46Å; T82-V108 PolarHBondContact OG1-N 3.4Å
83	G	95.9	Very high	91.2	Very high	4 Å²	4	50.1 Å²	50.1	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-178.2	-180	0	0	0	0	0	113.3	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.54Å; Q31-G83 WeakPolarHBondContact O-CA 3.18Å; D81-G83 PolarHBondContact O-N 2.76Å; G83-L106 PolarHBondContact N-O 2.78Å; G83-L106 PolarHBondContact O-N 3.02Å
84	T	97.3	Very high	89.8	Confident	21 Å²	21	48.7 Å²	48.7	13%	0.129	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.4	171.4	-55.4	0	0	0	0	109.8	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.58Å; Q31-T84 PolarHBondContact N-O 3.5Å; Q31-T84 PolarHBondContact O-N 2.91Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.91Å; T84-Y86 HydrophobicContact CG2-CE2 3.5Å; T84-Y86 VanDerWaalsContact CG2-OH 3.28Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; T84-Y86 WeakPolarHBondContact O-CD2 3.45Å; T84-T104 WeakPolarHBondContact CA-O 3.19Å; T84-T105 PolarHBondContact OG1-OG1 3.47Å
85	Y	97.3	Very high	88.6	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.2	-177	-69.6	-102.7	0	0	0	109.7	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.44Å; L12-Y85 HydrophobicContact CD1-CD1 3.7Å; L12-Y85 HydrophobicContact CD1-CD2 4.19Å; L12-Y85 HydrophobicContact CD1-CE1 4.48Å; L12-Y85 HydrophobicContact CD1-CG 3.51Å; R30-Y85 HydrophobicContact CB-CD1 4.3Å; R30-Y85 HydrophobicContact CB-CE1 4.19Å; R30-Y85 WeakPolarHBondContact CD-OH 3.44Å; R30-Y85 HydrophobicContact CG-CE1 4.21Å; R30-Y85 HydrophobicContact CG-CE2 4.43Å; R30-Y85 PolarHBondContact NH1-OH 3.31Å; M40-Y85 HydrophobicContact CE-CE1 3.89Å; M40-Y85 HydrophobicContact SD-CD1 3.75Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å; L72-Y85 HydrophobicContact CD2-CD1 4.06Å; L72-Y85 HydrophobicContact CD2-CE1 4.37Å; D81-Y85 WeakPolarHBondContact O-CE2 3.45Å; D81-Y85 PolarHBondContact O-OH 2.86Å; Y85-G103 CarbonylContact O-C 3.45Å; Y85-G103 WeakPolarHBondContact O-CA 3.45Å; Y85-T104 PolarHBondContact N-O 3.34Å; Y85-T104 PolarHBondContact O-N 3.04Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.76Å; Y85-L106 HydrophobicContact CD2-CG 4.13Å; Y85-L106 HydrophobicContact CE2-CB 4.17Å; Y85-L106 HydrophobicContact CE2-CD1 3.8Å; Y85-L106 HydrophobicContact CE2-CG 4.32Å
86	Y	96.9	Very high	87.7	Confident	42 Å²	42	59.3 Å²	59.3	17%	0.165	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.4	-178	-61.1	-85.3	0	0	0	110.3	W28 I29 Q31 T84 W100 G101 G103	W28-Y86 WeakPolarHBondContact CA-O 3.27Å; I29-Y86 PolarHBondContact N-O 2.98Å; I29-Y86 PolarHBondContact O-N 2.75Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.64Å; Q31-Y86 PolarHBondContact OE1-OH 3.13Å; Q31-Y86 VanDerWaalsContact OE1-OH 3.12Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.91Å; T84-Y86 HydrophobicContact CG2-CE2 3.5Å; T84-Y86 VanDerWaalsContact CG2-OH 3.28Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.48Å; T84-Y86 WeakPolarHBondContact O-CD2 3.45Å; Y86-W100 HydrophobicContact CD1-CE3 4.31Å; Y86-W100 HydrophobicContact CD2-CZ3 4.43Å; Y86-W100 HydrophobicContact CG-CE3 4.04Å; Y86-W100 HydrophobicContact CG-CZ3 4.17Å; Y86-G101 WeakPolarHBondContact CD1-O 3.49Å; Y86-G103 VanDerWaalsContact CD1-CA 3.44Å
87	C	95.1	Very high	87.2	Confident	14 Å²	14	59.3 Å²	59.3	10%	0.095	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.6	156.5	38.7	0	0	0	0	110.2	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.49Å; C14-C87 VanDerWaalsContact CB-CB 3.49Å; C14-C87 WeakPolarHBondContact CB-SG 3.34Å; C14-C87 WeakPolarHBondContact SG-CB 3.2Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.81Å; N27-C87 CarbonylContact O-C 3.51Å; N27-C87 VanDerWaalsContact O-CA 3.29Å; N27-C87 WeakPolarHBondContact O-CA 3.16Å; F70-C87 HydrophobicContact CE1-CB 4.1Å; F70-C87 HydrophobicContact CE2-CB 4.09Å; F70-C87 HydrophobicContact CZ-CB 3.34Å; C87-W100 CarbonylContact O-C 3.52Å; C87-W100 WeakPolarHBondContact O-CA 3.49Å; C87-G101 PolarHBondContact O-N 3.06Å
88	A	94.2	Very high	86.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152	175.7	0	0	0	0	0	111.7	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.44Å; N27-A88 PolarHBondContact N-O 2.81Å; N27-A88 PolarHBondContact O-N 3.01Å; I29-A88 HydrophobicContact CD1-CB 3.82Å; A88-F97 HydrophobicContact CB-CB 4.17Å; A88-F97 HydrophobicContact CB-CD1 3.9Å; A88-F97 HydrophobicContact CB-CG 3.97Å; A88-Y99 CarbonylContact C-O 3.58Å; A88-Y99 WeakPolarHBondContact CA-O 3.19Å; A88-Y99 WeakPolarHBondContact CB-O 3.49Å; A88-W100 HydrophobicContact CB-CD2 4.06Å; A88-W100 HydrophobicContact CB-CE3 4.29Å; A88-W100 HydrophobicContact CB-CG 4.41Å
89	R	91.9	Very high	86.3	Confident	40 Å²	40	65.6 Å²	65.6	15%	0.151	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	176.5	-170	-175.6	68.2	-176.7	2.7	110.6	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 VanDerWaalsContact CG-NH1 3.27Å; D19-R89 WeakPolarHBondContact OD2-CD 3.31Å; D19-R89 IonicContact OD2-CZ 3.14Å; D19-R89 IonicContact OD2-NE 3.69Å; D19-R89 IonicContact OD2-NH1 3.78Å; D19-R89 PolarHBondContact OD2-NH1 2.82Å; Y25-R89 WeakPolarHBondContact O-CA 3.45Å; W26-R89 HydrophobicContact CD2-CB 4.38Å; W26-R89 HydrophobicContact CD2-CG 4.33Å; W26-R89 HydrophobicContact CE3-CB 3.96Å; W26-R89 HydrophobicContact CE3-CG 4.4Å; W26-R89 HydrophobicContact CH2-CB 3.86Å; W26-R89 HydrophobicContact CH2-CG 4.01Å; W26-R89 HydrophobicContact CZ2-CB 4.24Å; W26-R89 HydrophobicContact CZ2-CG 3.89Å; W26-R89 HydrophobicContact CZ3-CB 3.7Å; W26-R89 HydrophobicContact CZ3-CG 4.25Å; R89-Y91 PolarHBondContact NH1-OH 2.74Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.2Å; R89-D98 IonicContact CZ-OD1 2.62Å; R89-D98 IonicContact CZ-OD2 3.48Å; R89-D98 IonicContact NE-OD1 3.55Å; R89-D98 PolarHBondContact NE-OD1 2.89Å; R89-D98 IonicContact NE-OD2 3.66Å; R89-D98 PolarHBondContact NE-OD2 3.03Å; R89-D98 VanDerWaalsContact NH2-CG 3.29Å; R89-D98 IonicContact NH2-OD1 4Å; R89-D98 PolarHBondContact NH2-OD1 2.84Å; R89-D98 IonicContact NH2-OD2 2.93Å; R89-D98 PolarHBondContact NH2-OD2 3.13Å; R89-D98 PolarHBondContact O-N 2.94Å; R89-D98 VanDerWaalsContact O-N 3.11Å; R89-D98 VanDerWaalsContact O-OD1 3.08Å; R89-Y99 PolarHBondContact N-O 3.47Å
90	D	88	Confident	86.3	Confident	31 Å²	31	66.2 Å²	66.2	17%	0.166	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.6	159.9	65.9	-40.9	0	0	0	111.4	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.48Å; Y25-D90 PolarHBondContact N-O 2.89Å; Y25-D90 PolarHBondContact O-N 3.05Å; N27-D90 PolarHBondContact ND2-OD1 2.9Å; D90-F97 HydrophobicContact CB-CD1 3.83Å; D90-F97 HydrophobicContact CB-CE1 4.09Å
91	Y	80.4	Confident	86.3	Confident	91 Å²	91	59.5 Å²	59.5	36%	0.357	30%	0.302	S	S	.	.			trans	-106.9	153.6	174.5	-74.6	-72.6	0	0	0	110.9	S23 R89 G93 S94 D98	S23-Y91 VanDerWaalsContact O-CE1 3.28Å; S23-Y91 WeakPolarHBondContact O-CE1 3.33Å; R89-Y91 PolarHBondContact NH1-OH 2.74Å; Y91-G93 PolarHBondContact O-N 3.03Å; Y91-G93 VanDerWaalsContact O-N 3.13Å; Y91-S94 VanDerWaalsContact O-CB 3.23Å; Y91-S94 WeakPolarHBondContact O-CB 3.45Å; Y91-S94 PolarHBondContact O-N 3.2Å; Y91-D98 WeakPolarHBondContact CD2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.41Å
92	Y	66.4	Low	86.2	Confident	200 Å²	200	68.2 Å²	68.2	78%	0.784	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	119.5	177.2	-167.8	-108.5	0	0	0	111	Y25	Y25-Y92 AromaticContact CE2-CD2 3.93Å; Y25-Y92 HydrophobicContact CE2-CD2 3.93Å; Y25-Y92 HydrophobicContact CE2-CG 4.41Å; Y25-Y92 AromaticContact CZ-CD2 3.81Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.38Å
93	G	65.4	Low	86.2	Confident	83 Å²	83	68.1 Å²	68.1	86%	0.856	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	2.2	-177.8	0	0	0	0	0	115.3	Y91	Y91-G93 PolarHBondContact O-N 3.03Å; Y91-G93 VanDerWaalsContact O-N 3.13Å
94	S	68.8	Low	86.1	Confident	52 Å²	52	70.9 Å²	70.9	36%	0.364	36%	0.363	S	S	.	.			trans	-81.5	137.7	170	-175.9	0	0	0	0	110.8	Y91 Y96	Y91-S94 VanDerWaalsContact O-CB 3.23Å; Y91-S94 WeakPolarHBondContact O-CB 3.45Å; Y91-S94 PolarHBondContact O-N 3.2Å; S94-Y96 VanDerWaalsContact C-N 3.33Å; S94-Y96 PolarHBondContact OG-N 3.31Å; S94-Y96 VanDerWaalsContact OG-N 3.1Å; S94-Y96 PolarHBondContact OG-O 2.79Å
95	S	70.9	Confident	86	Confident	100 Å²	100	72.9 Å²	72.9	70%	0.699	38%	0.376	S	S	*	.	S	Bend	trans	-90.5	4.7	168.6	51.9	0	0	0	0	113.3
96	Y	75.8	Confident	85.8	Confident	176 Å²	176	73 Å²	73	69%	0.69	38%	0.377	S	S	*	.	S	Bend	trans	-134.4	145.1	-173.5	-56.9	-77.5	0	0	0	112.3	S94	S94-Y96 VanDerWaalsContact C-N 3.33Å; S94-Y96 PolarHBondContact OG-N 3.31Å; S94-Y96 VanDerWaalsContact OG-N 3.1Å; S94-Y96 PolarHBondContact OG-O 2.79Å
97	F	82.4	Confident	85.6	Confident	72 Å²	72	73.5 Å²	73.5	32%	0.316	38%	0.384	S	S	.	.			trans	-82.5	114.3	166.7	-62.4	-62.2	0	0	0	109.4	N27 I29 A88 R89 D90 W100	N27-F97 HydrophobicContact CB-CE1 4.02Å; N27-F97 HydrophobicContact CB-CZ 4.49Å; N27-F97 VanDerWaalsContact CG-CE1 3.49Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.39Å; I29-F97 HydrophobicContact CD1-CD2 3.96Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.59Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; A88-F97 HydrophobicContact CB-CB 4.17Å; A88-F97 HydrophobicContact CB-CD1 3.9Å; A88-F97 HydrophobicContact CB-CG 3.97Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.2Å; D90-F97 HydrophobicContact CB-CD1 3.83Å; D90-F97 HydrophobicContact CB-CE1 4.09Å; F97-W100 HydrophobicContact CB-CZ2 4.16Å; F97-W100 VanDerWaalsContact CB-NE1 3.33Å; F97-W100 HydrophobicContact CD2-CH2 4.42Å; F97-W100 AromaticContact CD2-CZ2 3.65Å; F97-W100 HydrophobicContact CD2-CZ2 3.65Å; F97-W100 HydrophobicContact CE2-CZ2 4.47Å; F97-W100 HydrophobicContact CG-CZ2 4.2Å
98	D	83.4	Confident	85.3	Confident	81 Å²	81	73.3 Å²	73.3	43%	0.433	38%	0.383	S	S	.	.			trans	-87.7	-17.3	-175.5	63.8	-10.4	0	0	0	113.1	R89 Y91	R89-D98 IonicContact CZ-OD1 2.62Å; R89-D98 IonicContact CZ-OD2 3.48Å; R89-D98 IonicContact NE-OD1 3.55Å; R89-D98 PolarHBondContact NE-OD1 2.89Å; R89-D98 IonicContact NE-OD2 3.66Å; R89-D98 PolarHBondContact NE-OD2 3.03Å; R89-D98 VanDerWaalsContact NH2-CG 3.29Å; R89-D98 IonicContact NH2-OD1 4Å; R89-D98 PolarHBondContact NH2-OD1 2.84Å; R89-D98 IonicContact NH2-OD2 2.93Å; R89-D98 PolarHBondContact NH2-OD2 3.13Å; R89-D98 PolarHBondContact O-N 2.94Å; R89-D98 VanDerWaalsContact O-N 3.11Å; R89-D98 VanDerWaalsContact O-OD1 3.08Å; Y91-D98 WeakPolarHBondContact CD2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.41Å
99	Y	87.6	Confident	85	Confident	102 Å²	102	75.6 Å²	75.6	40%	0.4	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.7	174.7	-173.2	-95.3	0	0	0	111.8	W26 A88 R89	W26-Y99 HydrophobicContact CZ3-CD1 4.3Å; A88-Y99 CarbonylContact C-O 3.58Å; A88-Y99 WeakPolarHBondContact CA-O 3.19Å; A88-Y99 WeakPolarHBondContact CB-O 3.49Å; R89-Y99 PolarHBondContact N-O 3.47Å
100	W	92.7	Very high	84.1	Confident	93 Å²	93	81.2 Å²	81.2	35%	0.352	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.1	173.4	-70.9	73.3	0	0	0	110	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CH2 4.44Å; I29-W100 HydrophobicContact CB-CZ3 4.18Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 3.91Å; I29-W100 HydrophobicContact CD1-CZ3 3.69Å; I29-W100 HydrophobicContact CG1-CH2 4.45Å; I29-W100 HydrophobicContact CG2-CH2 4.13Å; I29-W100 HydrophobicContact CG2-CZ3 4.11Å; L37-W100 HydrophobicContact CD1-CH2 4.28Å; Y86-W100 HydrophobicContact CD1-CE3 4.31Å; Y86-W100 HydrophobicContact CD2-CZ3 4.43Å; Y86-W100 HydrophobicContact CG-CE3 4.04Å; Y86-W100 HydrophobicContact CG-CZ3 4.17Å; C87-W100 CarbonylContact O-C 3.52Å; C87-W100 WeakPolarHBondContact O-CA 3.49Å; A88-W100 HydrophobicContact CB-CD2 4.06Å; A88-W100 HydrophobicContact CB-CE3 4.29Å; A88-W100 HydrophobicContact CB-CG 4.41Å; F97-W100 HydrophobicContact CB-CZ2 4.16Å; F97-W100 VanDerWaalsContact CB-NE1 3.33Å; F97-W100 HydrophobicContact CD2-CH2 4.42Å; F97-W100 AromaticContact CD2-CZ2 3.65Å; F97-W100 HydrophobicContact CD2-CZ2 3.65Å; F97-W100 HydrophobicContact CE2-CZ2 4.47Å; F97-W100 HydrophobicContact CG-CZ2 4.2Å
101	G	92.6	Very high	83.9	Confident	13 Å²	13	83.8 Å²	83.8	13%	0.134	46%	0.458	C	S	.	.			trans	-69	164.6	167.7	0	0	0	0	0	111.7	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.49Å; C87-G101 PolarHBondContact O-N 3.06Å; G101-G103 PolarHBondContact O-N 3.39Å; G101-G103 VanDerWaalsContact O-N 3.14Å
102	Q	92.9	Very high	84.1	Confident	184 Å²	184	83.4 Å²	83.4	86%	0.86	46%	0.463	S	S	*	.			trans	-63.1	-20.4	179.2	-65.4	-63.8	-48.1	0	0	113.6
103	G	93.7	Very high	85.1	Confident	28 Å²	28	76.9 Å²	76.9	29%	0.289	45%	0.445	S	S	.	.			trans	83.7	150.9	-179.2	0	0	0	0	0	113.3	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.45Å; Y85-G103 WeakPolarHBondContact O-CA 3.45Å; Y86-G103 VanDerWaalsContact CD1-CA 3.44Å; G101-G103 PolarHBondContact O-N 3.39Å; G101-G103 VanDerWaalsContact O-N 3.14Å
104	T	94.9	Very high	86.2	Confident	62 Å²	62	76.5 Å²	76.5	38%	0.38	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	115.5	176.5	-60.8	0	0	0	0	109.3	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.1Å; T84-T104 WeakPolarHBondContact CA-O 3.19Å; Y85-T104 PolarHBondContact N-O 3.34Å; Y85-T104 PolarHBondContact O-N 3.04Å; T104-L106 HydrophobicContact CG2-CD2 3.99Å; T104-L106 HydrophobicContact CG2-CG 4.32Å
105	T	94.9	Very high	87.3	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.393	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.6	176.9	-52.2	0	0	0	0	111	P1 S2 T84	P1-T105 CarbonylContact C-O 3.52Å; P1-T105 WeakPolarHBondContact CA-O 3.41Å; P1-T105 HydrophobicContact CB-CG2 4.35Å; S2-T105 PolarHBondContact N-O 3.3Å; T84-T105 PolarHBondContact OG1-OG1 3.47Å
106	L	92.6	Very high	88.4	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.2	178.4	-59.1	177.7	0	0	0	110.5	S2 L10 L12 G83 Y85 T104	S2-L106 WeakPolarHBondContact O-CA 3.27Å; L10-L106 HydrophobicContact CD1-CD1 3.38Å; L10-L106 HydrophobicContact CD1-CD2 4.43Å; L10-L106 HydrophobicContact CD2-CD1 3.16Å; L10-L106 HydrophobicContact CG-CD1 3.84Å; L12-L106 HydrophobicContact CD1-CD1 4.13Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CG-CD1 4.4Å; G83-L106 PolarHBondContact N-O 2.78Å; G83-L106 PolarHBondContact O-N 3.02Å; Y85-L106 HydrophobicContact CD2-CB 4.37Å; Y85-L106 HydrophobicContact CD2-CD1 3.76Å; Y85-L106 HydrophobicContact CD2-CG 4.13Å; Y85-L106 HydrophobicContact CE2-CB 4.17Å; Y85-L106 HydrophobicContact CE2-CD1 3.8Å; Y85-L106 HydrophobicContact CE2-CG 4.32Å; T104-L106 HydrophobicContact CG2-CD2 3.99Å; T104-L106 HydrophobicContact CG2-CG 4.32Å
107	T	92.7	Very high	89.3	Confident	52 Å²	52	69.5 Å²	69.5	32%	0.319	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	175.5	-55.8	0	0	0	0	108.6	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 2.58Å; L3-T107 WeakPolarHBondContact CA-O 3.49Å; L3-T107 HydrophobicContact CD1-CG2 4.12Å; V4-T107 PolarHBondContact N-O 3.01Å; T82-T107 HydrophobicContact CG2-CG2 4.46Å
108	V	90.3	Very high	89.9	Confident	10 Å²	10	69.3 Å²	69.3	6%	0.061	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.9	175.3	-175.5	0	0	0	0	108.2	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.45Å; V4-V108 WeakPolarHBondContact O-CA 3.36Å; P6-V108 HydrophobicContact CG-CG1 4.23Å; V77-V108 HydrophobicContact CB-CG2 4.21Å; V77-V108 HydrophobicContact CG2-CG1 4.03Å; V77-V108 HydrophobicContact CG2-CG2 4.17Å; T78-V108 WeakPolarHBondContact O-CB 3.38Å; T78-V108 WeakPolarHBondContact O-CG1 3.31Å; T82-V108 PolarHBondContact OG1-N 3.4Å
109	S	87.1	Confident	90.4	Very high	47 Å²	47	68.3 Å²	68.3	33%	0.329	39%	0.388	S	S	.	.			trans	-140.4	148.8	178.5	70.2	0	0	0	0	111.1	L3 V4 P6	L3-S109 VanDerWaalsContact CD1-OG 3.3Å; L3-S109 WeakPolarHBondContact CD1-OG 3.28Å; V4-S109 PolarHBondContact O-N 2.88Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
110	S	73.1	Confident	90.7	Very high	159 Å²	159	65.3 Å²	65.3	100%	1.112	39%	0.387	S	S	*	.			trans	-72.5	0	172	57.1	0	0	0	0	112.2

Retrieved 110 of 110 residues in 25.3 ms (Link to these results)

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