X5J4G4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4G4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4G4_MOUSE|X5J4G4
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYNPSLKSRISITRDTSKNQFFLRLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	62.5	Low	84.8	Confident	140 Å²	140	82.2 Å²	82.2	91%	0.909	48%	0.482	S	S	*	.				0	121.4	0	-2	22.9	0	0	0	110.3	T105	P1-T105 VanDerWaalsContact CA-O 3.24Å; P1-T105 WeakPolarHBondContact CA-O 3.46Å; P1-T105 HydrophobicContact CB-CG2 4.41Å
2	S	78.8	Confident	85.7	Confident	66 Å²	66	76.5 Å²	76.5	46%	0.462	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	175.8	-51.7	0	0	0	0	110.1	T105 T107	S2-T105 PolarHBondContact N-O 2.58Å; S2-T107 PolarHBondContact O-N 3.36Å
3	L	82	Confident	86.5	Confident	128 Å²	128	76.4 Å²	76.4	67%	0.67	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.1	178.5	-166.3	68.5	0	0	0	109.9	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.5Å; L3-T107 HydrophobicContact CD1-CG2 4.18Å; L3-S109 VanDerWaalsContact CD1-OG 3.32Å; L3-S109 WeakPolarHBondContact CD1-OG 3.32Å
4	V	83.8	Confident	87.1	Confident	19 Å²	19	71.9 Å²	71.9	12%	0.115	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.2	-178.4	-173.4	0	0	0	0	109.3	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.11Å; V4-V77 HydrophobicContact CG1-CG2 3.91Å; V4-T107 PolarHBondContact N-O 2.73Å; V4-V108 HydrophobicContact CB-CG2 4.39Å; V4-V108 WeakPolarHBondContact O-CA 3.31Å; V4-S109 PolarHBondContact O-N 3.16Å
5	K	84	Confident	87.6	Confident	143 Å²	143	71.9 Å²	71.9	62%	0.622	43%	0.429	S	S	*	.			trans	-82	149.9	176.4	-65	-173.3	177.7	-175	0	110.6	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 VanDerWaalsContact N-OE1 3.07Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.46Å; K5-Q8 PolarHBondContact O-N 3.02Å; K5-V77 WeakPolarHBondContact O-CG2 3.37Å
6	P	86.4	Confident	87.9	Confident	47 Å²	47	68.5 Å²	68.5	31%	0.305	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	155.6	174.3	-25	34.1	0	0	0	112.9	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.16Å; P6-V77 WeakPolarHBondContact CA-O 3.35Å; P6-V108 HydrophobicContact CG-CG1 4.25Å; P6-S109 WeakPolarHBondContact CD-O 3.38Å
7	S	86.9	Confident	88	Confident	99 Å²	99	71.1 Å²	71.1	69%	0.692	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	1.7	179.9	-53.1	0	0	0	0	115.4	V77	S7-V77 PolarHBondContact N-O 3.08Å
8	Q	89.5	Confident	87.8	Confident	94 Å²	94	72.4 Å²	72.4	44%	0.439	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-75.9	163.8	172.4	-66.3	-171.7	-40.2	0	0	111.5	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.11Å; K5-Q8 HydrophobicContact CB-CG 4.2Å; K5-Q8 VanDerWaalsContact N-OE1 3.07Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.46Å; K5-Q8 PolarHBondContact O-N 3.02Å; P6-Q8 PolarHBondContact O-N 3.16Å; Q8-S76 PolarHBondContact O-N 3.27Å; Q8-V77 HydrophobicContact CB-CG2 4.31Å; Q8-V77 WeakPolarHBondContact O-CG2 3.39Å; Q8-V77 PolarHBondContact O-N 3.44Å; Q8-V77 VanDerWaalsContact O-N 3.11Å
9	T	92.3	Very high	87.6	Confident	71 Å²	71	71.2 Å²	71.2	44%	0.436	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-93.5	125.1	167.7	-62.4	0	0	0	0	108.6	R73 L74 N75	T9-R73 HydrophobicContact CG2-CG 3.62Å; T9-L74 WeakPolarHBondContact CA-O 3.18Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 2.75Å
10	L	91.7	Very high	87.6	Confident	17 Å²	17	70 Å²	70	9%	0.089	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.3	169.6	173	68.4	0	0	0	109.5	L12 R73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.19Å; L10-L12 HydrophobicContact CD1-CG 4.22Å; L10-L12 HydrophobicContact CD2-CD1 4.14Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L10-R73 CarbonylContact O-C 3.58Å; L10-R73 WeakPolarHBondContact O-CA 3.39Å; L10-L74 HydrophobicContact CB-CB 4.34Å; L10-L74 HydrophobicContact CD2-CD2 4.38Å; L10-L74 PolarHBondContact N-O 2.82Å; L10-L74 PolarHBondContact O-N 2.82Å; L10-V77 HydrophobicContact CB-CG1 3.84Å; L10-L106 HydrophobicContact CD1-CD1 3.41Å; L10-L106 VanDerWaalsContact CD1-CD1 3.41Å; L10-L106 HydrophobicContact CD1-CD2 4.46Å; L10-L106 HydrophobicContact CD2-CD1 3.15Å; L10-L106 HydrophobicContact CG-CD1 3.86Å
11	S	94.7	Very high	87.7	Confident	80 Å²	80	66.6 Å²	66.6	56%	0.559	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	120	170.1	-171	0	0	0	0	109.2	L72	S11-L72 CarbonylContact C-O 3.49Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å
12	L	95.9	Very high	89	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.5	175.8	-69	177.9	0	0	0	109.9	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.19Å; L10-L12 HydrophobicContact CD1-CG 4.22Å; L10-L12 HydrophobicContact CD2-CD1 4.14Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CG 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.58Å; L12-W28 HydrophobicContact CB-CZ2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 3.98Å; L12-F71 CarbonylContact O-C 3.44Å; L12-F71 WeakPolarHBondContact O-CA 3.4Å; L12-L72 HydrophobicContact CB-CB 4.36Å; L12-L72 HydrophobicContact CD1-CD2 4.39Å; L12-L72 PolarHBondContact N-O 2.9Å; L12-L72 PolarHBondContact O-N 3.19Å; L12-Y85 VanDerWaalsContact CD1-CB 3.44Å; L12-Y85 HydrophobicContact CD1-CD1 3.69Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.44Å; L12-Y85 HydrophobicContact CD1-CG 3.52Å; L12-T104 HydrophobicContact CD2-CG2 4.26Å; L12-L106 HydrophobicContact CD1-CD1 4.17Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CG-CD1 4.43Å
13	T	96.4	Very high	89.3	Confident	75 Å²	75	61.8 Å²	61.8	46%	0.46	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.9	177.2	-56.3	0	0	0	0	108.9	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; T13-F71 HydrophobicContact CG2-CD1 3.82Å; T13-F71 HydrophobicContact CG2-CE1 3.44Å; T13-F71 VanDerWaalsContact CG2-CE1 3.44Å; T13-F71 HydrophobicContact CG2-CZ 4.3Å; T13-F71 VanDerWaalsContact OG1-CD1 3.27Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.16Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.21Å
14	C	95.2	Very high	89.6	Confident	14 Å²	14	55.8 Å²	55.8	10%	0.095	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	165.2	-177.2	0	0	0	0	109.1	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; C14-F70 HydrophobicContact CB-CD1 3.82Å; C14-F70 HydrophobicContact CB-CE1 3.43Å; C14-F70 VanDerWaalsContact CB-CE1 3.43Å; C14-F70 HydrophobicContact CB-CZ 3.87Å; C14-F70 PolarHBondContact N-O 2.89Å; C14-F70 PolarHBondContact O-N 3Å; C14-F70 VanDerWaalsContact SG-CE1 3.53Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.45Å; C14-C87 WeakPolarHBondContact SG-CB 3.5Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.8Å
15	S	94.7	Very high	90	Very high	72 Å²	72	56 Å²	56	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124	176	-56.3	0	0	0	0	109	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.43Å; S15-Q69 PolarHBondContact OG-NE2 3.06Å
16	V	91	Very high	90.5	Very high	17 Å²	17	49.9 Å²	49.9	10%	0.103	33%	0.331	C	S	.	.			trans	-86.1	131.4	178.3	-178.9	0	0	0	0	108.4	D19 I21 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 4.03Å; V16-D19 WeakPolarHBondContact CG1-O 3.35Å; V16-I21 HydrophobicContact CG2-CB 4.45Å; V16-I21 HydrophobicContact CG2-CD1 4.19Å; V16-I21 HydrophobicContact CG2-CG1 4.31Å; V16-W26 HydrophobicContact CB-CH2 4.19Å; V16-W26 HydrophobicContact CB-CZ2 4.45Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.74Å; V16-W26 HydrophobicContact CG1-CZ3 4.26Å; V16-W26 HydrophobicContact CG2-CD2 4.24Å; V16-W26 HydrophobicContact CG2-CE3 4.01Å; V16-W26 HydrophobicContact CG2-CH2 3.6Å; V16-W26 HydrophobicContact CG2-CZ2 3.85Å; V16-W26 HydrophobicContact CG2-CZ3 3.68Å; V16-N68 PolarHBondContact N-O 3.39Å; V16-N68 PolarHBondContact O-ND2 2.93Å; V16-F70 HydrophobicContact CG2-CD1 4.45Å; V16-F70 HydrophobicContact CG2-CE1 4.38Å
17	S	89.5	Confident	90.9	Very high	113 Å²	113	47.8 Å²	47.8	79%	0.79	32%	0.317	S	S	*	.			trans	-127.2	140.7	176.1	60.7	0	0	0	0	109.5	D19	S17-D19 PolarHBondContact O-N 2.77Å
18	G	85.5	Confident	91.4	Very high	95 Å²	95	43.4 Å²	43.4	98%	0.979	29%	0.285	S	S	*	.	S	Bend	trans	75.4	0.8	-177.7	0	0	0	0	0	115.7
19	D	83.4	Confident	91.7	Very high	49 Å²	49	39.2 Å²	39.2	26%	0.262	27%	0.266	S	S	.	.	S	Bend	trans	-149.9	171.5	176.2	-169.2	15.7	0	0	0	110.3	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 4.03Å; V16-D19 WeakPolarHBondContact CG1-O 3.35Å; S17-D19 PolarHBondContact O-N 2.77Å; D19-S23 VanDerWaalsContact CG-OG 3.32Å; D19-S23 WeakPolarHBondContact OD1-CB 3.43Å; D19-S23 PolarHBondContact OD1-OG 3.38Å; D19-S23 PolarHBondContact OD2-OG 2.84Å; D19-N68 PolarHBondContact O-ND2 3.3Å; D19-R89 WeakPolarHBondContact OD2-CD 3.48Å; D19-R89 IonicContact OD2-CZ 3.7Å; D19-R89 IonicContact OD2-NE 3.67Å; D19-R89 IonicContact OD2-NH1 3.79Å; D19-R89 PolarHBondContact OD2-NH1 2.92Å
20	S	88.3	Confident	91.9	Very high	46 Å²	46	36.2 Å²	36.2	32%	0.322	25%	0.246	S	C	.	.			trans	-100.5	141	174.6	-179.6	0	0	0	0	111.9	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.88Å; S20-T22 PolarHBondContact OG-N 2.89Å; S20-T22 PolarHBondContact OG-OG1 3.09Å; S20-S23 VanDerWaalsContact O-CB 3.23Å; S20-S23 WeakPolarHBondContact O-CB 3.48Å; S20-S23 PolarHBondContact O-N 3.39Å; S20-S23 PolarHBondContact O-OG 3.25Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å
21	I	90.1	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.4	173.6	-154.3	158.4	0	0	0	113.8	V16 W26 R63 T65 N68 Q69 F70	V16-I21 HydrophobicContact CG2-CB 4.45Å; V16-I21 HydrophobicContact CG2-CD1 4.19Å; V16-I21 HydrophobicContact CG2-CG1 4.31Å; I21-W26 HydrophobicContact CG1-CD2 4.33Å; I21-W26 HydrophobicContact CG1-CG 4Å; I21-W26 VanDerWaalsContact O-CD1 3.29Å; I21-W26 PolarHBondContact O-NE1 2.78Å; I21-W26 VanDerWaalsContact O-NE1 3.12Å; I21-R63 HydrophobicContact CD1-CB 4.23Å; I21-T65 HydrophobicContact CG2-CG2 3.93Å; I21-N68 WeakPolarHBondContact CB-OD1 3.49Å; I21-N68 PolarHBondContact N-OD1 2.92Å; I21-Q69 VanDerWaalsContact CD1-O 3.29Å; I21-Q69 WeakPolarHBondContact CD1-O 3.24Å; I21-F70 HydrophobicContact CD1-CB 3.5Å; I21-F70 HydrophobicContact CD1-CD1 3.58Å; I21-F70 HydrophobicContact CD1-CG 3.9Å
22	T	89.4	Confident	92.2	Very high	69 Å²	69	35.7 Å²	35.7	42%	0.423	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.1	172.8	65.1	0	0	0	0	113.1	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.88Å; S20-T22 PolarHBondContact OG-N 2.89Å; S20-T22 PolarHBondContact OG-OG1 3.09Å; T22-Y45 WeakPolarHBondContact O-CB 3.47Å; T22-T65 HydrophobicContact CG2-CG2 3.68Å
23	S	85.1	Confident	91.9	Very high	35 Å²	35	39.9 Å²	39.9	25%	0.245	26%	0.262	C	S	.	.	S	Bend	trans	-87.2	-18.7	-177.4	71.8	0	0	0	0	114.2	D19 S20 Y91	D19-S23 VanDerWaalsContact CG-OG 3.32Å; D19-S23 WeakPolarHBondContact OD1-CB 3.43Å; D19-S23 PolarHBondContact OD1-OG 3.38Å; D19-S23 PolarHBondContact OD2-OG 2.84Å; S20-S23 VanDerWaalsContact O-CB 3.23Å; S20-S23 WeakPolarHBondContact O-CB 3.48Å; S20-S23 PolarHBondContact O-N 3.39Å; S20-S23 PolarHBondContact O-OG 3.25Å; S23-Y91 VanDerWaalsContact O-CE1 3.23Å; S23-Y91 WeakPolarHBondContact O-CE1 3.47Å
24	G	87.4	Confident	91.7	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	-170.2	-145.7	-171.4	0	0	0	0	0	114.6	N44 Y45	G24-N44 CarbonylContact O-C 3.48Å; G24-Y45 PolarHBondContact O-N 2.72Å
25	Y	92.4	Very high	91.5	Very high	23 Å²	23	45 Å²	45	9%	0.09	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.8	-178.1	-69.2	-108.7	0	0	0	108.4	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 3.14Å; Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.74Å; Y25-Y42 HydrophobicContact CD1-CD2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE1 4.38Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.23Å; Y25-Y42 AromaticContact CD1-CZ 3.96Å; Y25-Y42 HydrophobicContact CE1-CD2 4.4Å; Y25-Y42 AromaticContact CE1-CE2 3.82Å; Y25-Y42 HydrophobicContact CE1-CE2 3.82Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 HydrophobicContact CE2-CB 4.43Å; Y25-N44 HydrophobicContact CG-CB 4.11Å; Y25-Y45 HydrophobicContact CE2-CD1 4.28Å; Y25-Y45 HydrophobicContact CE2-CE1 4.23Å; Y25-R89 WeakPolarHBondContact O-CA 3.5Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.46Å; Y25-D90 PolarHBondContact N-O 3.32Å; Y25-D90 PolarHBondContact O-N 3.16Å; Y25-Y92 HydrophobicContact CE2-CD2 4.03Å; Y25-Y92 HydrophobicContact CE2-CG 4.37Å; Y25-Y92 AromaticContact CZ-CD2 3.73Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.22Å
26	W	93.9	Very high	91.5	Very high	15 Å²	15	48.5 Å²	48.5	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.4	-176	-66.7	96	0	0	0	109.3	V16 I21 Y42 I43 F70 R89	V16-W26 HydrophobicContact CB-CH2 4.19Å; V16-W26 HydrophobicContact CB-CZ2 4.45Å; V16-W26 HydrophobicContact CG1-CH2 3.44Å; V16-W26 VanDerWaalsContact CG1-CH2 3.44Å; V16-W26 HydrophobicContact CG1-CZ2 3.74Å; V16-W26 HydrophobicContact CG1-CZ3 4.26Å; V16-W26 HydrophobicContact CG2-CD2 4.24Å; V16-W26 HydrophobicContact CG2-CE3 4.01Å; V16-W26 HydrophobicContact CG2-CH2 3.6Å; V16-W26 HydrophobicContact CG2-CZ2 3.85Å; V16-W26 HydrophobicContact CG2-CZ3 3.68Å; I21-W26 HydrophobicContact CG1-CD2 4.33Å; I21-W26 HydrophobicContact CG1-CG 4Å; I21-W26 VanDerWaalsContact O-CD1 3.29Å; I21-W26 PolarHBondContact O-NE1 2.78Å; I21-W26 VanDerWaalsContact O-NE1 3.12Å; W26-Y42 CarbonylContact O-C 3.48Å; W26-Y42 WeakPolarHBondContact O-CA 3.38Å; W26-Y42 WeakPolarHBondContact O-CB 3.45Å; W26-I43 HydrophobicContact CB-CG2 4.24Å; W26-I43 PolarHBondContact N-O 2.89Å; W26-I43 PolarHBondContact O-N 3.48Å; W26-F70 HydrophobicContact CB-CD1 4.25Å; W26-F70 HydrophobicContact CB-CD2 4.06Å; W26-F70 HydrophobicContact CB-CE1 3.99Å; W26-F70 HydrophobicContact CB-CE2 3.84Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.76Å; W26-F70 HydrophobicContact CD2-CE1 4.19Å; W26-F70 AromaticContact CE3-CE1 3.78Å; W26-F70 HydrophobicContact CE3-CE1 3.78Å; W26-F70 HydrophobicContact CE3-CZ 4.11Å; W26-F70 HydrophobicContact CG-CE1 4.31Å; W26-F70 HydrophobicContact CG-CZ 4.49Å; W26-R89 HydrophobicContact CD2-CB 4.45Å; W26-R89 HydrophobicContact CD2-CG 4.09Å; W26-R89 HydrophobicContact CE3-CB 3.9Å; W26-R89 HydrophobicContact CE3-CG 4.03Å; W26-R89 HydrophobicContact CH2-CB 3.88Å; W26-R89 HydrophobicContact CH2-CG 3.71Å; W26-R89 HydrophobicContact CZ2-CB 4.41Å; W26-R89 HydrophobicContact CZ2-CG 3.75Å; W26-R89 HydrophobicContact CZ3-CB 3.6Å; W26-R89 HydrophobicContact CZ3-CG 3.86Å
27	N	95.3	Very high	91.7	Very high	3 Å²	3	52 Å²	52	2%	0.016	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.6	-166.7	-65.2	-98.3	0	0	0	110.6	Y25 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 3.14Å; N27-W39 PolarHBondContact OD1-NE1 3.45Å; N27-G41 WeakPolarHBondContact CA-O 3.37Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.48Å; N27-C87 CarbonylContact O-C 3.58Å; N27-C87 VanDerWaalsContact O-CA 3.3Å; N27-C87 WeakPolarHBondContact O-CA 3.27Å; N27-A88 HydrophobicContact CB-CB 4.45Å; N27-A88 PolarHBondContact N-O 2.89Å; N27-A88 PolarHBondContact O-N 3.04Å; N27-D90 PolarHBondContact ND2-OD1 2.95Å; N27-F97 HydrophobicContact CB-CE1 4.03Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.29Å
28	W	96.8	Very high	92	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129	164.2	-78	100.5	0	0	0	109.8	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.58Å; L12-W28 HydrophobicContact CB-CZ2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-W28 HydrophobicContact CD1-CH2 4.42Å; L12-W28 HydrophobicContact CD1-CZ3 3.98Å; C14-W28 HydrophobicContact CB-CH2 4.01Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 HydrophobicContact CB-SD 4.5Å; W28-M40 WeakPolarHBondContact O-CB 3.3Å; W28-M40 PolarHBondContact O-N 2.87Å; W28-G41 PolarHBondContact N-O 3.06Å; W28-F70 AromaticContact CD1-CD2 3.85Å; W28-F70 AromaticContact CD1-CE2 3.6Å; W28-F70 HydrophobicContact CD2-CE2 4.3Å; W28-F70 AromaticContact CE2-CD2 3.96Å; W28-F70 AromaticContact CE2-CE2 3.68Å; W28-F70 HydrophobicContact CG-CE2 4.27Å; W28-F70 HydrophobicContact CZ2-CD2 4.41Å; W28-F70 HydrophobicContact CZ2-CE2 4.25Å; W28-F70 AromaticContact NE1-CD2 3.2Å; W28-F70 AromaticContact NE1-CE2 3.2Å; W28-L72 HydrophobicContact CB-CD2 4.22Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 4Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.3Å; W28-L72 HydrophobicContact CE3-CD2 4.13Å; W28-L72 HydrophobicContact CG-CB 3.82Å; W28-L72 HydrophobicContact CG-CD1 4.36Å; W28-L72 HydrophobicContact CG-CD2 4.05Å; W28-L72 HydrophobicContact CG-CG 4.3Å; W28-L72 HydrophobicContact CZ2-CB 3.94Å
29	I	96.6	Very high	92.5	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.1	-178.8	-57.4	171.1	0	0	0	107.8	L37 E38 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.33Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; I29-E38 WeakPolarHBondContact CA-O 3.25Å; I29-Y86 PolarHBondContact N-O 3.18Å; I29-Y86 PolarHBondContact O-N 3.04Å; I29-A88 HydrophobicContact CD1-CB 3.87Å; I29-F97 HydrophobicContact CD1-CD2 4.09Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.68Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; I29-W100 HydrophobicContact CB-CH2 4.43Å; I29-W100 HydrophobicContact CB-CZ3 4.25Å; I29-W100 HydrophobicContact CD1-CH2 3.33Å; I29-W100 HydrophobicContact CD1-CZ2 3.84Å; I29-W100 HydrophobicContact CD1-CZ3 3.76Å; I29-W100 HydrophobicContact CG1-CH2 4.45Å; I29-W100 HydrophobicContact CG2-CH2 4.14Å; I29-W100 HydrophobicContact CG2-CZ3 4.18Å
30	R	96.6	Very high	93.1	Very high	8 Å²	8	45.3 Å²	45.3	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.6	172.7	176.6	170.8	63.3	-172.1	9.2	109.9	F32 L37 E38 M40 D81 T84 Y85	R30-F32 VanDerWaalsContact NE-CZ 3.33Å; R30-F32 VanDerWaalsContact NH2-CZ 3.27Å; R30-L37 CarbonylContact O-C 3.45Å; R30-L37 WeakPolarHBondContact O-CA 3.31Å; R30-E38 IonicContact CZ-OE2 3.63Å; R30-E38 PolarHBondContact N-O 3.4Å; R30-E38 IonicContact NE-OE2 3.63Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE1 2.63Å; R30-E38 IonicContact NH2-OE2 2.75Å; R30-E38 PolarHBondContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 2.78Å; R30-M40 HydrophobicContact CB-CG 4.24Å; R30-M40 HydrophobicContact CB-SD 3.9Å; R30-D81 IonicContact CZ-OD1 3.15Å; R30-D81 IonicContact NH1-OD1 3.94Å; R30-D81 PolarHBondContact NH1-OD1 3.43Å; R30-D81 IonicContact NH2-OD1 3.06Å; R30-T84 CarbonylContact C-O 3.5Å; R30-Y85 HydrophobicContact CB-CD1 4.33Å; R30-Y85 HydrophobicContact CB-CE1 4.26Å; R30-Y85 HydrophobicContact CG-CE1 4.33Å; R30-Y85 HydrophobicContact CG-CE2 4.41Å; R30-Y85 PolarHBondContact NH1-OH 2.83Å
31	Q	97.1	Very high	93.5	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.187	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.8	168.1	-171	-179.9	35.2	0	0	109.4	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 3.48Å; Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.34Å; Q31-L37 HydrophobicContact CB-CD2 3.64Å; Q31-L37 HydrophobicContact CG-CD2 3.78Å; Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.16Å; Q31-T84 PolarHBondContact N-O 3.05Å; Q31-T84 PolarHBondContact O-N 3.02Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.6Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 2.95Å
32	F	95.3	Very high	93.8	Very high	46 Å²	46	46.1 Å²	46.1	20%	0.202	25%	0.249	C	C	.	.			trans	-76.1	159.2	174.9	-65.3	-83.6	0	0	0	111.4	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NE-CZ 3.33Å; R30-F32 VanDerWaalsContact NH2-CZ 3.27Å; F32-G34 PolarHBondContact O-N 3.13Å; F32-N35 PolarHBondContact O-N 2.87Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.4Å; F32-K36 PolarHBondContact N-O 2.95Å; F32-E38 HydrophobicContact CE2-CB 3.72Å; F32-E38 HydrophobicContact CZ-CB 4.48Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.38Å; F32-E80 WeakPolarHBondContact CE1-O 3.43Å
33	P	90.8	Very high	94.1	Very high	102 Å²	102	43.2 Å²	43.2	66%	0.662	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	128.6	159.7	-23.4	34	0	0	0	109.9	T82	P33-T82 WeakPolarHBondContact CD-O 3.43Å; P33-T82 HydrophobicContact CG-CG2 4.32Å
34	G	92.3	Very high	94.4	Very high	72 Å²	72	42.1 Å²	42.1	74%	0.742	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.4	13.8	-171.6	0	0	0	0	0	115	F32 K36	F32-G34 PolarHBondContact O-N 3.13Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å; G34-K36 VanDerWaalsContact O-N 3.16Å
35	N	89.8	Confident	94.6	Very high	124 Å²	124	47.9 Å²	47.9	66%	0.663	24%	0.244	S	C	*	.	S	Bend	trans	67.3	9.6	168.8	-59	-42.3	0	0	0	116.6	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 3.48Å; F32-N35 PolarHBondContact O-N 2.87Å; N35-L37 PolarHBondContact O-N 2.93Å
36	K	94.7	Very high	94.5	Very high	146 Å²	146	50.2 Å²	50.2	64%	0.635	26%	0.264	S	S	*	.			trans	-68.6	128.7	171.3	-178.8	-178.7	175.6	-173.8	0	110	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.6Å; Q31-K36 WeakPolarHBondContact CA-O 3.34Å; F32-K36 HydrophobicContact CB-CB 4.46Å; F32-K36 HydrophobicContact CD2-CB 4.27Å; F32-K36 HydrophobicContact CD2-CD 4.37Å; F32-K36 HydrophobicContact CD2-CG 4.29Å; F32-K36 WeakPolarHBondContact CD2-O 3.4Å; F32-K36 PolarHBondContact N-O 2.95Å; G34-K36 VanDerWaalsContact C-N 3.25Å; G34-K36 PolarHBondContact O-N 2.87Å; G34-K36 VanDerWaalsContact O-N 3.16Å
37	L	94.9	Very high	94.5	Very high	91 Å²	91	51 Å²	51	48%	0.476	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143	174.6	-64.7	173.9	0	0	0	111.2	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.33Å; I29-L37 HydrophobicContact CG2-CD2 4.01Å; R30-L37 CarbonylContact O-C 3.45Å; R30-L37 WeakPolarHBondContact O-CA 3.31Å; Q31-L37 HydrophobicContact CB-CD2 3.64Å; Q31-L37 HydrophobicContact CG-CD2 3.78Å; N35-L37 PolarHBondContact O-N 2.93Å; L37-W100 HydrophobicContact CD1-CH2 4.35Å
38	E	96.2	Very high	94.5	Very high	37 Å²	37	54 Å²	54	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.9	172.3	176.1	-178.8	-120.4	0	0	109.2	I29 R30 F32 M40 L55	I29-E38 WeakPolarHBondContact CA-O 3.25Å; R30-E38 IonicContact CZ-OE2 3.63Å; R30-E38 PolarHBondContact N-O 3.4Å; R30-E38 IonicContact NE-OE2 3.63Å; R30-E38 PolarHBondContact NE-OE2 2.82Å; R30-E38 IonicContact NH2-OE1 2.63Å; R30-E38 IonicContact NH2-OE2 2.75Å; R30-E38 PolarHBondContact NH2-OE2 3.14Å; R30-E38 PolarHBondContact O-N 2.78Å; F32-E38 HydrophobicContact CE2-CB 3.72Å; F32-E38 HydrophobicContact CZ-CB 4.48Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.38Å; E38-M40 PolarHBondContact O-N 2.89Å; E38-L55 HydrophobicContact CG-CD1 4.46Å
39	W	95.8	Very high	94.4	Very high	80 Å²	80	56.4 Å²	56.4	30%	0.303	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.3	168.4	176.1	80.6	0	0	0	109.1	N27 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 3.45Å; W39-Y42 HydrophobicContact CH2-CD1 4.47Å; W39-Y42 AromaticContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CE1 4.21Å; W39-Y42 HydrophobicContact CZ2-CG 4.35Å; W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.09Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.3Å; W39-N52 WeakPolarHBondContact O-CB 3.44Å; W39-N52 PolarHBondContact O-ND2 2.97Å
40	M	96.8	Very high	94.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-40	-177.7	-57.3	-174.8	73.9	0	0	111.7	W28 R30 E38 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 HydrophobicContact CB-SD 4.5Å; W28-M40 WeakPolarHBondContact O-CB 3.3Å; W28-M40 PolarHBondContact O-N 2.87Å; R30-M40 HydrophobicContact CB-CG 4.24Å; R30-M40 HydrophobicContact CB-SD 3.9Å; E38-M40 PolarHBondContact O-N 2.89Å; M40-N52 WeakPolarHBondContact O-CB 2.99Å; M40-N52 PolarHBondContact O-N 2.79Å; M40-L55 HydrophobicContact CB-CD1 4.05Å; M40-L55 HydrophobicContact CE-CD1 3.97Å; M40-L55 HydrophobicContact CG-CD1 3.91Å; M40-I59 HydrophobicContact CB-CD1 4.28Å; M40-I59 HydrophobicContact CE-CG2 4Å; M40-I59 WeakPolarHBondContact O-CD1 3.43Å; M40-L72 HydrophobicContact CE-CD2 3.85Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; M40-Y85 HydrophobicContact CE-CE1 3.88Å; M40-Y85 HydrophobicContact SD-CD1 3.77Å; M40-Y85 HydrophobicContact SD-CE1 3.61Å
41	G	96.1	Very high	94.4	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.8	173	-175.2	0	0	0	0	0	111.9	N27 W28 S50 I61	N27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 3.06Å; G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.08Å; G41-I61 VanDerWaalsContact C-CD1 3.42Å
42	Y	95.6	Very high	94.4	Very high	63 Å²	63	59.5 Å²	59.5	25%	0.247	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.5	171.4	71.2	-113.7	0	0	0	112.5	Y25 W26 N27 W39 N44 T49 S50	Y25-Y42 HydrophobicContact CD1-CD1 4.48Å; Y25-Y42 AromaticContact CD1-CD2 3.74Å; Y25-Y42 HydrophobicContact CD1-CD2 3.74Å; Y25-Y42 HydrophobicContact CD1-CE1 4.38Å; Y25-Y42 AromaticContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CE2 3.61Å; Y25-Y42 HydrophobicContact CD1-CG 4.23Å; Y25-Y42 AromaticContact CD1-CZ 3.96Å; Y25-Y42 HydrophobicContact CE1-CD2 4.4Å; Y25-Y42 AromaticContact CE1-CE2 3.82Å; Y25-Y42 HydrophobicContact CE1-CE2 3.82Å; W26-Y42 CarbonylContact O-C 3.48Å; W26-Y42 WeakPolarHBondContact O-CA 3.38Å; W26-Y42 WeakPolarHBondContact O-CB 3.45Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.48Å; W39-Y42 HydrophobicContact CH2-CD1 4.47Å; W39-Y42 AromaticContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CD1 3.56Å; W39-Y42 HydrophobicContact CZ2-CE1 4.21Å; W39-Y42 HydrophobicContact CZ2-CG 4.35Å; Y42-N44 HydrophobicContact CD2-CB 4.37Å; Y42-N44 HydrophobicContact CE2-CB 4.2Å; Y42-T49 VanDerWaalsContact O-CA 3.27Å; Y42-T49 WeakPolarHBondContact O-CA 3.43Å; Y42-S50 VanDerWaalsContact CE1-CB 3.45Å; Y42-S50 VanDerWaalsContact CZ-CB 3.43Å; Y42-S50 PolarHBondContact N-O 2.98Å; Y42-S50 PolarHBondContact O-N 2.05Å; Y42-S50 VanDerWaalsContact O-N 3.09Å
43	I	95.6	Very high	94.4	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.1	160	-170.2	163.3	0	0	0	109.2	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.24Å; W26-I43 PolarHBondContact N-O 2.89Å; W26-I43 PolarHBondContact O-N 3.48Å; I43-S48 WeakPolarHBondContact CA-O 3.13Å; I43-T49 HydrophobicContact CB-CG2 3.96Å; I43-T49 HydrophobicContact CD1-CG2 3.95Å; I43-T49 HydrophobicContact CG1-CG2 3.85Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; I43-R63 HydrophobicContact CD1-CB 4.14Å; I43-R63 HydrophobicContact CD1-CG 3.81Å; I43-F70 HydrophobicContact CG2-CB 4.29Å; I43-F70 HydrophobicContact CG2-CD2 4.33Å
44	N	93	Very high	94.5	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.064	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	175.8	-178.4	77.4	-3	0	0	0	112.1	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.48Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 HydrophobicContact CE2-CB 4.43Å; Y25-N44 HydrophobicContact CG-CB 4.11Å; Y42-N44 HydrophobicContact CD2-CB 4.37Å; Y42-N44 HydrophobicContact CE2-CB 4.2Å; N44-S46 PolarHBondContact ND2-OG 2.75Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 PolarHBondContact OD1-N 2.88Å; N44-S46 PolarHBondContact OD1-OG 2.84Å; N44-G47 WeakPolarHBondContact O-CA 3.36Å; N44-G47 PolarHBondContact O-N 2.63Å; N44-G47 PolarHBondContact OD1-N 3.45Å; N44-S48 PolarHBondContact N-O 3.11Å; N44-S48 WeakPolarHBondContact OD1-CB 3.3Å; N44-S48 PolarHBondContact OD1-N 3.06Å; N44-S48 PolarHBondContact OD1-O 2.8Å; N44-R63 VanDerWaalsContact O-CZ 3.25Å; N44-R63 PolarHBondContact O-NH1 3.06Å
45	Y	90.3	Very high	94.6	Very high	124 Å²	124	59.1 Å²	59.1	49%	0.486	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	178.3	66.4	-89	0	0	0	114.5	T22 G24 Y25 R63	T22-Y45 WeakPolarHBondContact O-CB 3.47Å; G24-Y45 PolarHBondContact O-N 2.72Å; Y25-Y45 HydrophobicContact CE2-CD1 4.28Å; Y25-Y45 HydrophobicContact CE2-CE1 4.23Å; Y45-R63 VanDerWaalsContact CA-NH1 3.31Å; Y45-R63 VanDerWaalsContact O-CZ 3.24Å; Y45-R63 PolarHBondContact O-NH1 3.37Å; Y45-R63 PolarHBondContact O-NH2 3.1Å
46	S	91.7	Very high	94.8	Very high	72 Å²	72	59.8 Å²	59.8	50%	0.503	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.9	174.6	64.7	0	0	0	0	113.6	N44 S48	N44-S46 PolarHBondContact ND2-OG 2.75Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 PolarHBondContact OD1-N 2.88Å; N44-S46 PolarHBondContact OD1-OG 2.84Å; S46-S48 PolarHBondContact OG-OG 2.89Å
47	G	93.1	Very high	94.8	Very high	31 Å²	31	58.1 Å²	58.1	32%	0.32	33%	0.327	S	S	.	.	S	Bend	trans	92.9	5.1	178.8	0	0	0	0	0	113	N44	N44-G47 WeakPolarHBondContact O-CA 3.36Å; N44-G47 PolarHBondContact O-N 2.63Å; N44-G47 PolarHBondContact OD1-N 3.45Å
48	S	94.6	Very high	94.8	Very high	65 Å²	65	56.5 Å²	56.5	46%	0.455	31%	0.314	S	S	.	.			trans	-70.5	139	172.5	-52.3	0	0	0	0	109.5	I43 N44 S46	I43-S48 WeakPolarHBondContact CA-O 3.13Å; N44-S48 PolarHBondContact N-O 3.11Å; N44-S48 WeakPolarHBondContact OD1-CB 3.3Å; N44-S48 PolarHBondContact OD1-N 3.06Å; N44-S48 PolarHBondContact OD1-O 2.8Å; S46-S48 PolarHBondContact OG-OG 2.89Å
49	T	96.3	Very high	94.8	Very high	58 Å²	58	55.2 Å²	55.2	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.7	-177.7	49.6	0	0	0	0	111.1	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.27Å; Y42-T49 WeakPolarHBondContact O-CA 3.43Å; I43-T49 HydrophobicContact CB-CG2 3.96Å; I43-T49 HydrophobicContact CD1-CG2 3.95Å; I43-T49 HydrophobicContact CG1-CG2 3.85Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.49Å; T49-Y51 PolarHBondContact OG1-OH 2.93Å; T49-I61 HydrophobicContact CG2-CB 4.43Å
50	S	95.7	Very high	94.9	Very high	43 Å²	43	53.6 Å²	53.6	30%	0.301	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.7	166.8	-170.9	0	0	0	0	108.8	G41 Y42	G41-S50 CarbonylContact C-O 3.52Å; G41-S50 WeakPolarHBondContact CA-O 3.08Å; Y42-S50 VanDerWaalsContact CE1-CB 3.45Å; Y42-S50 VanDerWaalsContact CZ-CB 3.43Å; Y42-S50 PolarHBondContact N-O 2.98Å; Y42-S50 PolarHBondContact O-N 2.05Å; Y42-S50 VanDerWaalsContact O-N 3.09Å
51	Y	96.9	Very high	94.9	Very high	48 Å²	48	53.9 Å²	53.9	19%	0.188	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.6	-172.9	-58.6	-71.7	0	0	0	110.2	T49 P53 K56 I59 I61	T49-Y51 WeakPolarHBondContact OG1-CE2 3.49Å; T49-Y51 PolarHBondContact OG1-OH 2.93Å; Y51-P53 WeakPolarHBondContact O-CD 3.31Å; Y51-K56 HydrophobicContact CD2-CG 4.17Å; Y51-K56 HydrophobicContact CG-CG 4.37Å; Y51-I59 HydrophobicContact CD1-CD1 3.53Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.34Å; Y51-I59 HydrophobicContact CE1-CG1 4.09Å; Y51-I59 HydrophobicContact CG-CD1 4.3Å; Y51-I59 HydrophobicContact CG-CG1 4.34Å; Y51-I61 HydrophobicContact CD1-CD1 4.2Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.93Å
52	N	96.2	Very high	95	Very high	29 Å²	29	57.2 Å²	57.2	16%	0.155	33%	0.331	C	S	.	.			trans	-61.3	124.9	164.5	-176	-33.3	0	0	0	109	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 3.99Å; W39-N52 HydrophobicContact CZ3-CB 4.09Å; W39-N52 VanDerWaalsContact CZ3-N 3.34Å; W39-N52 VanDerWaalsContact O-CB 3.3Å; W39-N52 WeakPolarHBondContact O-CB 3.44Å; W39-N52 PolarHBondContact O-ND2 2.97Å; M40-N52 WeakPolarHBondContact O-CB 2.99Å; M40-N52 PolarHBondContact O-N 2.79Å; N52-S54 PolarHBondContact O-N 2.92Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.86Å; N52-L55 HydrophobicContact CB-CB 4.42Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 3.11Å; N52-K56 PolarHBondContact O-N 2.67Å
53	P	95.6	Very high	94.9	Very high	112 Å²	112	57 Å²	57	73%	0.727	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.1	-178.1	-29	35.7	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-L55 PolarHBondContact O-N 3.29Å
54	S	93.1	Very high	94.9	Very high	96 Å²	96	58.7 Å²	58.7	67%	0.671	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-180	-58.7	0	0	0	0	113.8	N52	N52-S54 PolarHBondContact O-N 2.92Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.86Å
55	L	94.5	Very high	94.9	Very high	4 Å²	4	62 Å²	62	2%	0.021	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-13	-176.3	-63.1	174.5	0	0	0	113.1	E38 M40 N52 P53 S57 R58 I59	E38-L55 HydrophobicContact CG-CD1 4.46Å; M40-L55 HydrophobicContact CB-CD1 4.05Å; M40-L55 HydrophobicContact CE-CD1 3.97Å; M40-L55 HydrophobicContact CG-CD1 3.91Å; N52-L55 HydrophobicContact CB-CB 4.42Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 3.11Å; P53-L55 PolarHBondContact O-N 3.29Å; L55-S57 PolarHBondContact O-N 2.93Å; L55-R58 PolarHBondContact O-N 3.07Å; L55-I59 HydrophobicContact CB-CD1 3.8Å; L55-I59 HydrophobicContact CB-CG1 4.21Å; L55-I59 HydrophobicContact CB-CG2 4.1Å; L55-I59 WeakPolarHBondContact O-CG1 3.38Å; L55-I59 PolarHBondContact O-N 2.93Å; L55-I59 VanDerWaalsContact O-N 3.07Å
56	K	93.4	Very high	95.1	Very high	138 Å²	138	61 Å²	61	60%	0.6	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-31	-170.2	-172.1	176.6	-178.2	-178.8	0	114.8	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.17Å; Y51-K56 HydrophobicContact CG-CG 4.37Å; N52-K56 PolarHBondContact O-N 2.67Å
57	S	94.9	Very high	95.3	Very high	111 Å²	111	63.8 Å²	63.8	78%	0.776	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-19.3	178.3	58.4	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 2.93Å
58	R	95.4	Very high	95.3	Very high	57 Å²	57	64 Å²	64	22%	0.215	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-23.7	-173.5	-57	-163.3	-61.3	131.8	-1.3	113.4	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.07Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 PolarHBondContact O-N 2.93Å; R58-N75 PolarHBondContact O-ND2 2.96Å; R58-S76 PolarHBondContact NH1-O 3.25Å; R58-D81 IonicContact CZ-OD1 3.65Å; R58-D81 IonicContact CZ-OD2 2.84Å; R58-D81 IonicContact NH1-OD1 2.65Å; R58-D81 PolarHBondContact NH1-OD1 2.84Å; R58-D81 IonicContact NH1-OD2 2.72Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 3.19Å; R58-D81 PolarHBondContact NH2-OD1 3.45Å; R58-D81 IonicContact NH2-OD2 3.45Å
59	I	96.6	Very high	95.4	Very high	10 Å²	10	63 Å²	63	5%	0.051	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.2	-175	68.8	178.9	0	0	0	113.2	M40 Y51 L55 L72 R73 L74	M40-I59 HydrophobicContact CB-CD1 4.28Å; M40-I59 HydrophobicContact CE-CG2 4Å; M40-I59 WeakPolarHBondContact O-CD1 3.43Å; Y51-I59 HydrophobicContact CD1-CD1 3.53Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.34Å; Y51-I59 HydrophobicContact CE1-CG1 4.09Å; Y51-I59 HydrophobicContact CG-CD1 4.3Å; Y51-I59 HydrophobicContact CG-CG1 4.34Å; L55-I59 HydrophobicContact CB-CD1 3.8Å; L55-I59 HydrophobicContact CB-CG1 4.21Å; L55-I59 HydrophobicContact CB-CG2 4.1Å; L55-I59 WeakPolarHBondContact O-CG1 3.38Å; L55-I59 PolarHBondContact O-N 2.93Å; L55-I59 VanDerWaalsContact O-N 3.07Å; I59-L72 HydrophobicContact CB-CD1 4.08Å; I59-L72 HydrophobicContact CG2-CD1 4.28Å; I59-R73 CarbonylContact C-O 3.53Å; I59-R73 VanDerWaalsContact CA-O 3.24Å; I59-R73 WeakPolarHBondContact CA-O 3.45Å; I59-L74 HydrophobicContact CG2-CB 4.41Å; I59-L74 HydrophobicContact CG2-CD1 3.5Å
60	S	97.3	Very high	95.3	Very high	46 Å²	46	60.2 Å²	60.2	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.1	168	177.5	0	0	0	0	108.9	R73	S60-R73 PolarHBondContact N-O 2.86Å; S60-R73 PolarHBondContact O-N 2.65Å
61	I	97.6	Very high	95.4	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.7	177.1	-60.6	167.7	0	0	0	108.1	G41 I43 T49 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.42Å; I43-I61 HydrophobicContact CB-CG2 3.76Å; I43-I61 HydrophobicContact CG2-CG2 3.7Å; T49-I61 HydrophobicContact CG2-CB 4.43Å; Y51-I61 HydrophobicContact CD1-CD1 4.2Å; Y51-I61 HydrophobicContact CE1-CB 4.16Å; Y51-I61 HydrophobicContact CE1-CD1 4Å; Y51-I61 HydrophobicContact CE1-CG1 3.93Å; Y51-I61 PolarHBondContact OH-N 2.93Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.27Å; I61-L72 HydrophobicContact CG1-CD1 3.87Å
62	T	96.7	Very high	95.4	Very high	70 Å²	70	58 Å²	58	43%	0.429	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	168.1	179.5	63.4	0	0	0	0	110.5	F70 F71	T62-F70 CarbonylContact O-C 3.55Å; T62-F70 VanDerWaalsContact O-CA 3.28Å; T62-F70 WeakPolarHBondContact O-CA 2.95Å; T62-F70 VanDerWaalsContact O-CB 3.28Å; T62-F70 WeakPolarHBondContact O-CB 3.35Å; T62-F71 PolarHBondContact N-O 3.19Å; T62-F71 VanDerWaalsContact N-O 3.08Å; T62-F71 PolarHBondContact O-N 3.28Å
63	R	95.5	Very high	95.5	Very high	59 Å²	59	63 Å²	63	22%	0.223	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.1	175.4	70.6	-175.2	170.6	160.3	6.8	112.6	I21 I43 N44 Y45 Q69 F70	I21-R63 HydrophobicContact CD1-CB 4.23Å; I43-R63 HydrophobicContact CD1-CB 4.14Å; I43-R63 HydrophobicContact CD1-CG 3.81Å; N44-R63 VanDerWaalsContact O-CZ 3.25Å; N44-R63 PolarHBondContact O-NH1 3.06Å; Y45-R63 VanDerWaalsContact CA-NH1 3.31Å; Y45-R63 VanDerWaalsContact O-CZ 3.24Å; Y45-R63 PolarHBondContact O-NH1 3.37Å; Y45-R63 PolarHBondContact O-NH2 3.1Å; R63-Q69 CarbonylContact C-O 3.51Å; R63-Q69 VanDerWaalsContact CA-O 3.32Å; R63-Q69 WeakPolarHBondContact CA-O 3.45Å; R63-Q69 WeakPolarHBondContact CB-O 3.42Å; R63-F70 HydrophobicContact CB-CB 3.98Å
64	D	95.1	Very high	95.5	Very high	42 Å²	42	57.7 Å²	57.7	23%	0.225	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	103.2	170.9	-175.5	-16.9	0	0	0	107.8	S66 K67 N68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 WeakPolarHBondContact OD1-CB 3.41Å; D64-S66 PolarHBondContact OD1-N 2.99Å; D64-S66 PolarHBondContact OD1-OG 3.14Å; D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 3.31Å; D64-K67 PolarHBondContact OD1-N 2.92Å; D64-K67 WeakPolarHBondContact OD2-CD 3.05Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.02Å; D64-K67 WeakPolarHBondContact OD2-CG 3.3Å; D64-K67 IonicContact OD2-NZ 3.63Å; D64-N68 PolarHBondContact O-N 2.84Å; D64-Q69 PolarHBondContact N-O 2.83Å; D64-Q69 PolarHBondContact O-N 3.03Å; D64-F71 HydrophobicContact CB-CE2 3.85Å; D64-F71 HydrophobicContact CB-CZ 4.35Å
65	T	93.6	Very high	95.6	Very high	82 Å²	82	55.4 Å²	55.4	50%	0.503	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.4	-179.5	52	0	0	0	0	112.3	I21 T22 K67 N68	I21-T65 HydrophobicContact CG2-CG2 3.93Å; T22-T65 HydrophobicContact CG2-CG2 3.68Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 3.07Å; T65-N68 PolarHBondContact O-N 3.01Å
66	S	93.6	Very high	95.5	Very high	103 Å²	103	58.6 Å²	58.6	72%	0.72	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.9	177.7	75.9	0	0	0	0	112.2	D64	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.87Å; D64-S66 WeakPolarHBondContact OD1-CB 3.41Å; D64-S66 PolarHBondContact OD1-N 2.99Å; D64-S66 PolarHBondContact OD1-OG 3.14Å
67	K	95	Very high	95.5	Very high	131 Å²	131	52.2 Å²	52.2	57%	0.57	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-2	178.2	-62.5	-177.6	-169.8	164.6	0	113.7	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.35Å; D64-K67 PolarHBondContact O-N 3.31Å; D64-K67 PolarHBondContact OD1-N 2.92Å; D64-K67 WeakPolarHBondContact OD2-CD 3.05Å; D64-K67 VanDerWaalsContact OD2-CE 3.31Å; D64-K67 WeakPolarHBondContact OD2-CE 3.02Å; D64-K67 WeakPolarHBondContact OD2-CG 3.3Å; D64-K67 IonicContact OD2-NZ 3.63Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 3.07Å; K67-Q69 VanDerWaalsContact C-N 3.28Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.2Å; K67-Q69 WeakPolarHBondContact O-CG 3.41Å; K67-Q69 PolarHBondContact O-N 2.85Å
68	N	94.3	Very high	95.4	Very high	36 Å²	36	49 Å²	49	19%	0.193	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.6	-174.5	-153.9	33.1	0	0	0	112.9	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 3.39Å; V16-N68 PolarHBondContact O-ND2 2.93Å; D19-N68 PolarHBondContact O-ND2 3.3Å; S20-N68 WeakPolarHBondContact CA-OD1 3.43Å; I21-N68 WeakPolarHBondContact CB-OD1 3.49Å; I21-N68 PolarHBondContact N-OD1 2.92Å; D64-N68 PolarHBondContact O-N 2.84Å; T65-N68 PolarHBondContact O-N 3.01Å
69	Q	95.7	Very high	95.3	Very high	43 Å²	43	49.7 Å²	49.7	20%	0.201	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.4	-171.6	-80.8	172.2	-8.9	0	0	112	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.39Å; T13-Q69 HydrophobicContact CG2-CG 4.13Å; C14-Q69 WeakPolarHBondContact O-CA 3.42Å; S15-Q69 WeakPolarHBondContact OG-CG 3.43Å; S15-Q69 PolarHBondContact OG-NE2 3.06Å; I21-Q69 VanDerWaalsContact CD1-O 3.29Å; I21-Q69 WeakPolarHBondContact CD1-O 3.24Å; R63-Q69 CarbonylContact C-O 3.51Å; R63-Q69 VanDerWaalsContact CA-O 3.32Å; R63-Q69 WeakPolarHBondContact CA-O 3.45Å; R63-Q69 WeakPolarHBondContact CB-O 3.42Å; D64-Q69 PolarHBondContact N-O 2.83Å; D64-Q69 PolarHBondContact O-N 3.03Å; K67-Q69 VanDerWaalsContact C-N 3.28Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.2Å; K67-Q69 WeakPolarHBondContact O-CG 3.41Å; K67-Q69 PolarHBondContact O-N 2.85Å; Q69-F71 HydrophobicContact CB-CE1 4.37Å; Q69-F71 HydrophobicContact CB-CE2 4.04Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
70	F	95.7	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.9	165.2	67.9	-62.9	0	0	0	111.9	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.82Å; C14-F70 HydrophobicContact CB-CE1 3.43Å; C14-F70 VanDerWaalsContact CB-CE1 3.43Å; C14-F70 HydrophobicContact CB-CZ 3.87Å; C14-F70 PolarHBondContact N-O 2.89Å; C14-F70 PolarHBondContact O-N 3Å; C14-F70 VanDerWaalsContact SG-CE1 3.53Å; V16-F70 HydrophobicContact CG2-CD1 4.45Å; V16-F70 HydrophobicContact CG2-CE1 4.38Å; I21-F70 HydrophobicContact CD1-CB 3.5Å; I21-F70 HydrophobicContact CD1-CD1 3.58Å; I21-F70 HydrophobicContact CD1-CG 3.9Å; W26-F70 HydrophobicContact CB-CD1 4.25Å; W26-F70 HydrophobicContact CB-CD2 4.06Å; W26-F70 HydrophobicContact CB-CE1 3.99Å; W26-F70 HydrophobicContact CB-CE2 3.84Å; W26-F70 HydrophobicContact CB-CG 4.25Å; W26-F70 HydrophobicContact CB-CZ 3.76Å; W26-F70 HydrophobicContact CD2-CE1 4.19Å; W26-F70 AromaticContact CE3-CE1 3.78Å; W26-F70 HydrophobicContact CE3-CE1 3.78Å; W26-F70 HydrophobicContact CE3-CZ 4.11Å; W26-F70 HydrophobicContact CG-CE1 4.31Å; W26-F70 HydrophobicContact CG-CZ 4.49Å; W28-F70 AromaticContact CD1-CD2 3.85Å; W28-F70 AromaticContact CD1-CE2 3.6Å; W28-F70 HydrophobicContact CD2-CE2 4.3Å; W28-F70 AromaticContact CE2-CD2 3.96Å; W28-F70 AromaticContact CE2-CE2 3.68Å; W28-F70 HydrophobicContact CG-CE2 4.27Å; W28-F70 HydrophobicContact CZ2-CD2 4.41Å; W28-F70 HydrophobicContact CZ2-CE2 4.25Å; W28-F70 AromaticContact NE1-CD2 3.2Å; W28-F70 AromaticContact NE1-CE2 3.2Å; I43-F70 HydrophobicContact CG2-CB 4.29Å; I43-F70 HydrophobicContact CG2-CD2 4.33Å; T62-F70 CarbonylContact O-C 3.55Å; T62-F70 VanDerWaalsContact O-CA 3.28Å; T62-F70 WeakPolarHBondContact O-CA 2.95Å; T62-F70 VanDerWaalsContact O-CB 3.28Å; T62-F70 WeakPolarHBondContact O-CB 3.35Å; R63-F70 HydrophobicContact CB-CB 3.98Å; F70-C87 HydrophobicContact CE1-CB 3.89Å; F70-C87 HydrophobicContact CE2-CB 4.23Å; F70-C87 HydrophobicContact CZ-CB 3.32Å
71	F	96.9	Very high	94.9	Very high	43 Å²	43	54.1 Å²	54.1	19%	0.189	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.5	-166.2	-49.5	-88.5	0	0	0	110.2	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.44Å; L12-F71 WeakPolarHBondContact O-CA 3.4Å; T13-F71 HydrophobicContact CG2-CD1 3.82Å; T13-F71 HydrophobicContact CG2-CE1 3.44Å; T13-F71 VanDerWaalsContact CG2-CE1 3.44Å; T13-F71 HydrophobicContact CG2-CZ 4.3Å; T13-F71 VanDerWaalsContact OG1-CD1 3.27Å; T13-F71 WeakPolarHBondContact OG1-CD1 3.16Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.21Å; I61-F71 VanDerWaalsContact CA-O 3.31Å; I61-F71 WeakPolarHBondContact CA-O 3.27Å; T62-F71 PolarHBondContact N-O 3.19Å; T62-F71 VanDerWaalsContact N-O 3.08Å; T62-F71 PolarHBondContact O-N 3.28Å; D64-F71 HydrophobicContact CB-CE2 3.85Å; D64-F71 HydrophobicContact CB-CZ 4.35Å; Q69-F71 HydrophobicContact CB-CE1 4.37Å; Q69-F71 HydrophobicContact CB-CE2 4.04Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
72	L	97.6	Very high	94.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.3	165.8	174	70.3	0	0	0	108.1	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.49Å; S11-L72 WeakPolarHBondContact CA-O 3.36Å; L12-L72 HydrophobicContact CB-CB 4.36Å; L12-L72 HydrophobicContact CD1-CD2 4.39Å; L12-L72 PolarHBondContact N-O 2.9Å; L12-L72 PolarHBondContact O-N 3.19Å; W28-L72 HydrophobicContact CB-CD2 4.22Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 4Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.43Å; W28-L72 HydrophobicContact CE3-CB 4.3Å; W28-L72 HydrophobicContact CE3-CD2 4.13Å; W28-L72 HydrophobicContact CG-CB 3.82Å; W28-L72 HydrophobicContact CG-CD1 4.36Å; W28-L72 HydrophobicContact CG-CD2 4.05Å; W28-L72 HydrophobicContact CG-CG 4.3Å; W28-L72 HydrophobicContact CZ2-CB 3.94Å; M40-L72 HydrophobicContact CE-CD2 3.85Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; I59-L72 HydrophobicContact CB-CD1 4.08Å; I59-L72 HydrophobicContact CG2-CD1 4.28Å; I61-L72 HydrophobicContact CG1-CD1 3.87Å; L72-Y85 HydrophobicContact CD2-CD1 4.01Å; L72-Y85 HydrophobicContact CD2-CE1 4.2Å
73	R	96.9	Very high	94.7	Very high	134 Å²	134	52.2 Å²	52.2	51%	0.506	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.1	166.2	-176	177.3	176.4	160.6	7.1	108.7	T9 L10 I59 S60 N75	T9-R73 HydrophobicContact CG2-CG 3.62Å; L10-R73 CarbonylContact O-C 3.58Å; L10-R73 WeakPolarHBondContact O-CA 3.39Å; I59-R73 CarbonylContact C-O 3.53Å; I59-R73 VanDerWaalsContact CA-O 3.24Å; I59-R73 WeakPolarHBondContact CA-O 3.45Å; S60-R73 PolarHBondContact N-O 2.86Å; S60-R73 PolarHBondContact O-N 2.65Å; R73-N75 PolarHBondContact NE-OD1 2.75Å
74	L	95.7	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.1	174.5	172.6	64.3	0	0	0	108.5	T9 L10 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.18Å; L10-L74 HydrophobicContact CB-CB 4.34Å; L10-L74 HydrophobicContact CD2-CD2 4.38Å; L10-L74 PolarHBondContact N-O 2.82Å; L10-L74 PolarHBondContact O-N 2.82Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CG2-CB 4.41Å; I59-L74 HydrophobicContact CG2-CD1 3.5Å; L74-V77 HydrophobicContact CD2-CG1 3.88Å; L74-V77 HydrophobicContact CG-CG1 3.92Å; L74-D81 HydrophobicContact CD2-CB 4.09Å
75	N	94.9	Very high	94.9	Very high	49 Å²	49	48.7 Å²	48.7	26%	0.262	26%	0.261	S	S	.	.			trans	-90.2	151.5	-178.7	-57.6	-47.2	0	0	0	111	T9 R58 R73	T9-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T9-N75 PolarHBondContact OG1-OD1 2.75Å; R58-N75 PolarHBondContact O-N 2.93Å; R58-N75 PolarHBondContact O-ND2 2.96Å; R73-N75 PolarHBondContact NE-OD1 2.75Å
76	S	92.3	Very high	95	Very high	71 Å²	71	46.9 Å²	46.9	50%	0.497	25%	0.245	S	C	.	.	S	Bend	trans	52.7	59.5	175.6	-54.6	0	0	0	0	112.2	Q8 R58	Q8-S76 PolarHBondContact O-N 3.27Å; R58-S76 PolarHBondContact NH1-O 3.25Å
77	V	93.6	Very high	95.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	22%	0.217	C	C	.	.			trans	-63.5	140.3	-179.1	-67.6	0	0	0	0	111.9	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.91Å; K5-V77 WeakPolarHBondContact O-CG2 3.37Å; P6-V77 WeakPolarHBondContact CA-O 3.35Å; S7-V77 PolarHBondContact N-O 3.08Å; Q8-V77 HydrophobicContact CB-CG2 4.31Å; Q8-V77 WeakPolarHBondContact O-CG2 3.39Å; Q8-V77 PolarHBondContact O-N 3.44Å; Q8-V77 VanDerWaalsContact O-N 3.11Å; L10-V77 HydrophobicContact CB-CG1 3.84Å; L74-V77 HydrophobicContact CD2-CG1 3.88Å; L74-V77 HydrophobicContact CG-CG1 3.92Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.31Å; V77-V108 HydrophobicContact CB-CG2 4.26Å; V77-V108 HydrophobicContact CG2-CG1 4.22Å; V77-V108 HydrophobicContact CG2-CG2 4.33Å
78	T	93.6	Very high	95	Very high	43 Å²	43	36.6 Å²	36.6	26%	0.264	19%	0.19	S	C	.	.			trans	-116.9	166.3	174.8	70.2	0	0	0	0	110.5	E80 D81 V108	T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 WeakPolarHBondContact OG1-CB 3.23Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 2.91Å; T78-D81 PolarHBondContact N-OD2 3.09Å; T78-D81 WeakPolarHBondContact O-CB 3.44Å; T78-D81 PolarHBondContact O-N 3.44Å; T78-V108 WeakPolarHBondContact O-CB 3.21Å; T78-V108 WeakPolarHBondContact O-CG1 3.41Å
79	P	92.9	Very high	94.9	Very high	73 Å²	73	35.5 Å²	35.5	47%	0.474	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-53.4	-29.9	172.8	-29.6	38.1	0	0	0	114	D81 T82	P79-D81 PolarHBondContact O-N 2.96Å; P79-T82 WeakPolarHBondContact O-CB 3.39Å; P79-T82 PolarHBondContact O-N 3.27Å; P79-T82 VanDerWaalsContact O-N 3.09Å; P79-T82 PolarHBondContact O-OG1 2.76Å
80	E	91.6	Very high	94.5	Very high	148 Å²	148	34.9 Å²	34.9	69%	0.692	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-65.6	-19.5	175.7	-58	153.1	167.8	0	0	112.2	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.43Å; T78-E80 PolarHBondContact O-N 2.87Å; T78-E80 VanDerWaalsContact O-N 3.14Å; T78-E80 WeakPolarHBondContact OG1-CB 3.23Å; T78-E80 PolarHBondContact OG1-N 2.93Å; T78-E80 PolarHBondContact OG1-OE2 2.91Å; E80-T82 PolarHBondContact O-N 2.76Å
81	D	93.6	Very high	93.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-79.6	-0.9	175.3	-61	-50.8	0	0	0	113.6	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.15Å; R30-D81 IonicContact NH1-OD1 3.94Å; R30-D81 PolarHBondContact NH1-OD1 3.43Å; R30-D81 IonicContact NH2-OD1 3.06Å; R58-D81 IonicContact CZ-OD1 3.65Å; R58-D81 IonicContact CZ-OD2 2.84Å; R58-D81 IonicContact NH1-OD1 2.65Å; R58-D81 PolarHBondContact NH1-OD1 2.84Å; R58-D81 IonicContact NH1-OD2 2.72Å; R58-D81 PolarHBondContact NH1-OD2 2.88Å; R58-D81 IonicContact NH2-OD1 3.19Å; R58-D81 PolarHBondContact NH2-OD1 3.45Å; R58-D81 IonicContact NH2-OD2 3.45Å; L74-D81 HydrophobicContact CD2-CB 4.09Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.31Å; T78-D81 PolarHBondContact N-OD2 3.09Å; T78-D81 WeakPolarHBondContact O-CB 3.44Å; T78-D81 PolarHBondContact O-N 3.44Å; P79-D81 PolarHBondContact O-N 2.96Å; D81-G83 PolarHBondContact O-N 2.8Å; D81-Y85 PolarHBondContact O-OH 3.12Å
82	T	94.9	Very high	92.3	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.184	23%	0.227	C	C	.	.			trans	-60.5	129	173.4	-65.9	0	0	0	0	111.5	P33 P79 E80 T107 V108	P33-T82 WeakPolarHBondContact CD-O 3.43Å; P33-T82 HydrophobicContact CG-CG2 4.32Å; P79-T82 WeakPolarHBondContact O-CB 3.39Å; P79-T82 PolarHBondContact O-N 3.27Å; P79-T82 VanDerWaalsContact O-N 3.09Å; P79-T82 PolarHBondContact O-OG1 2.76Å; E80-T82 PolarHBondContact O-N 2.76Å; T82-T107 HydrophobicContact CG2-CG2 4.43Å; T82-V108 PolarHBondContact OG1-N 2.87Å
83	G	95.7	Very high	90.7	Very high	4 Å²	4	50.6 Å²	50.6	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-179.7	-180	0	0	0	0	0	113.4	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.16Å; D81-G83 PolarHBondContact O-N 2.8Å; G83-L106 PolarHBondContact N-O 2.81Å; G83-L106 PolarHBondContact O-N 3.39Å
84	T	97.1	Very high	89.4	Confident	23 Å²	23	46.2 Å²	46.2	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.1	171.1	-55.6	0	0	0	0	109.7	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.5Å; Q31-T84 PolarHBondContact N-O 3.05Å; Q31-T84 PolarHBondContact O-N 3.02Å; T84-Y86 HydrophobicContact CG2-CD2 4.29Å; T84-Y86 HydrophobicContact CG2-CE1 3.86Å; T84-Y86 HydrophobicContact CG2-CE2 3.57Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.12Å; T84-T104 WeakPolarHBondContact CA-O 3.24Å; T84-T105 PolarHBondContact OG1-OG1 3.22Å
85	Y	97.1	Very high	88.2	Confident	4 Å²	4	51 Å²	51	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.9	-177.3	-71	-103.7	0	0	0	109.8	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 VanDerWaalsContact CD1-CB 3.44Å; L12-Y85 HydrophobicContact CD1-CD1 3.69Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.44Å; L12-Y85 HydrophobicContact CD1-CG 3.52Å; R30-Y85 HydrophobicContact CB-CD1 4.33Å; R30-Y85 HydrophobicContact CB-CE1 4.26Å; R30-Y85 HydrophobicContact CG-CE1 4.33Å; R30-Y85 HydrophobicContact CG-CE2 4.41Å; R30-Y85 PolarHBondContact NH1-OH 2.83Å; M40-Y85 HydrophobicContact CE-CE1 3.88Å; M40-Y85 HydrophobicContact SD-CD1 3.77Å; M40-Y85 HydrophobicContact SD-CE1 3.61Å; L72-Y85 HydrophobicContact CD2-CD1 4.01Å; L72-Y85 HydrophobicContact CD2-CE1 4.2Å; D81-Y85 PolarHBondContact O-OH 3.12Å; Y85-G103 CarbonylContact O-C 3.58Å; Y85-G103 WeakPolarHBondContact O-CA 3.5Å; Y85-T104 PolarHBondContact N-O 2.99Å; Y85-T104 PolarHBondContact O-N 3.45Å; Y85-L106 HydrophobicContact CD2-CB 4.4Å; Y85-L106 HydrophobicContact CD2-CD1 3.8Å; Y85-L106 HydrophobicContact CD2-CG 4.13Å; Y85-L106 HydrophobicContact CE2-CB 4.2Å; Y85-L106 HydrophobicContact CE2-CD1 3.78Å; Y85-L106 HydrophobicContact CE2-CG 4.29Å
86	Y	96.7	Very high	87.2	Confident	44 Å²	44	57 Å²	57	17%	0.173	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.3	-179.2	-58.6	-86.5	0	0	0	110.2	I29 Q31 T84 W100 G101 G103	I29-Y86 PolarHBondContact N-O 3.18Å; I29-Y86 PolarHBondContact O-N 3.04Å; Q31-Y86 HydrophobicContact CB-CD2 4.27Å; Q31-Y86 HydrophobicContact CB-CE2 3.6Å; Q31-Y86 HydrophobicContact CG-CE2 4.49Å; Q31-Y86 PolarHBondContact OE1-OH 2.95Å; T84-Y86 HydrophobicContact CG2-CD2 4.29Å; T84-Y86 HydrophobicContact CG2-CE1 3.86Å; T84-Y86 HydrophobicContact CG2-CE2 3.57Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.12Å; Y86-W100 HydrophobicContact CD1-CE3 4.3Å; Y86-W100 HydrophobicContact CD2-CZ3 4.33Å; Y86-W100 HydrophobicContact CG-CE3 4.01Å; Y86-W100 HydrophobicContact CG-CZ3 4.11Å; Y86-G101 WeakPolarHBondContact CD1-O 3.14Å; Y86-G103 VanDerWaalsContact CD1-CA 3.41Å
87	C	95	Very high	86.6	Confident	18 Å²	18	57 Å²	57	12%	0.122	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.8	157.4	40.4	0	0	0	0	109.9	C14 N27 F70 W100 G101	C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.45Å; C14-C87 WeakPolarHBondContact SG-CB 3.5Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.8Å; N27-C87 CarbonylContact O-C 3.58Å; N27-C87 VanDerWaalsContact O-CA 3.3Å; N27-C87 WeakPolarHBondContact O-CA 3.27Å; F70-C87 HydrophobicContact CE1-CB 3.89Å; F70-C87 HydrophobicContact CE2-CB 4.23Å; F70-C87 HydrophobicContact CZ-CB 3.32Å; C87-W100 CarbonylContact O-C 3.54Å; C87-W100 WeakPolarHBondContact O-CA 3.32Å; C87-G101 PolarHBondContact O-N 3.37Å
88	A	94	Very high	85.9	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.5	175.8	0	0	0	0	0	111.9	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.45Å; N27-A88 PolarHBondContact N-O 2.89Å; N27-A88 PolarHBondContact O-N 3.04Å; I29-A88 HydrophobicContact CD1-CB 3.87Å; A88-F97 HydrophobicContact CB-CB 4.23Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CE1 4.47Å; A88-F97 HydrophobicContact CB-CG 4.01Å; A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.28Å; A88-Y99 WeakPolarHBondContact CB-O 3.46Å; A88-W100 HydrophobicContact CB-CD2 4.06Å; A88-W100 HydrophobicContact CB-CE3 4.37Å; A88-W100 HydrophobicContact CB-CG 4.37Å
89	R	91.7	Very high	85.5	Confident	13 Å²	13	65.1 Å²	65.1	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.8	176.2	-160.7	-165.1	76.9	-169.7	-2.9	111	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 WeakPolarHBondContact OD2-CD 3.48Å; D19-R89 IonicContact OD2-CZ 3.7Å; D19-R89 IonicContact OD2-NE 3.67Å; D19-R89 IonicContact OD2-NH1 3.79Å; D19-R89 PolarHBondContact OD2-NH1 2.92Å; Y25-R89 WeakPolarHBondContact O-CA 3.5Å; W26-R89 HydrophobicContact CD2-CB 4.45Å; W26-R89 HydrophobicContact CD2-CG 4.09Å; W26-R89 HydrophobicContact CE3-CB 3.9Å; W26-R89 HydrophobicContact CE3-CG 4.03Å; W26-R89 HydrophobicContact CH2-CB 3.88Å; W26-R89 HydrophobicContact CH2-CG 3.71Å; W26-R89 HydrophobicContact CZ2-CB 4.41Å; W26-R89 HydrophobicContact CZ2-CG 3.75Å; W26-R89 HydrophobicContact CZ3-CB 3.6Å; W26-R89 HydrophobicContact CZ3-CG 3.86Å; R89-Y91 VanDerWaalsContact CZ-CE2 3.5Å; R89-Y91 VanDerWaalsContact CZ-CZ 3.46Å; R89-Y91 VanDerWaalsContact CZ-OH 3.28Å; R89-Y91 PolarHBondContact NH1-OH 2.89Å; R89-Y91 VanDerWaalsContact NH2-CZ 3.3Å; R89-Y91 PolarHBondContact NH2-OH 2.84Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 VanDerWaalsContact O-CA 3.25Å; R89-F97 WeakPolarHBondContact O-CA 3.23Å; R89-D98 IonicContact NH2-OD2 3.98Å; R89-D98 PolarHBondContact NH2-OD2 2.9Å; R89-D98 PolarHBondContact O-N 3.06Å; R89-Y99 HydrophobicContact CB-CD2 4.46Å; R89-Y99 VanDerWaalsContact CZ-CD2 3.45Å; R89-Y99 VanDerWaalsContact CZ-CE2 3.44Å; R89-Y99 PolarHBondContact N-O 3.48Å; R89-Y99 VanDerWaalsContact NH2-CE2 3.27Å
90	D	87.9	Confident	85.5	Confident	30 Å²	30	67 Å²	67	16%	0.16	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	165.2	162.2	64.4	-35	0	0	0	111.3	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.46Å; Y25-D90 PolarHBondContact N-O 3.32Å; Y25-D90 PolarHBondContact O-N 3.16Å; N27-D90 PolarHBondContact ND2-OD1 2.95Å; D90-F97 HydrophobicContact CB-CD1 3.77Å; D90-F97 HydrophobicContact CB-CE1 4.03Å
91	Y	79.4	Confident	85.5	Confident	94 Å²	94	61.2 Å²	61.2	37%	0.369	31%	0.311	S	S	.	.			trans	-106.6	154.7	172.3	-76.6	-66.2	0	0	0	111	S23 R89 G93 S94 D98	S23-Y91 VanDerWaalsContact O-CE1 3.23Å; S23-Y91 WeakPolarHBondContact O-CE1 3.47Å; R89-Y91 VanDerWaalsContact CZ-CE2 3.5Å; R89-Y91 VanDerWaalsContact CZ-CZ 3.46Å; R89-Y91 VanDerWaalsContact CZ-OH 3.28Å; R89-Y91 PolarHBondContact NH1-OH 2.89Å; R89-Y91 VanDerWaalsContact NH2-CZ 3.3Å; R89-Y91 PolarHBondContact NH2-OH 2.84Å; Y91-G93 PolarHBondContact O-N 2.82Å; Y91-G93 VanDerWaalsContact O-N 3.14Å; Y91-S94 VanDerWaalsContact O-CB 3.3Å; Y91-S94 WeakPolarHBondContact O-CB 3.37Å; Y91-S94 PolarHBondContact O-N 3.05Å; Y91-D98 VanDerWaalsContact CD2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CD2-OD2 3.28Å
92	Y	65.9	Low	85.4	Confident	199 Å²	199	70 Å²	70	78%	0.78	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.5	175.5	-168.6	-111.1	0	0	0	110.9	Y25	Y25-Y92 HydrophobicContact CE2-CD2 4.03Å; Y25-Y92 HydrophobicContact CE2-CG 4.37Å; Y25-Y92 AromaticContact CZ-CD2 3.73Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.22Å
93	G	65.2	Low	85.4	Confident	80 Å²	80	70 Å²	70	83%	0.825	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	1.7	-178.4	0	0	0	0	0	115.1	Y91	Y91-G93 PolarHBondContact O-N 2.82Å; Y91-G93 VanDerWaalsContact O-N 3.14Å
94	S	69.1	Low	85.3	Confident	43 Å²	43	72.8 Å²	72.8	30%	0.301	37%	0.374	S	S	.	.			trans	-81.1	138.6	170	-174.3	0	0	0	0	110.8	Y91 Y96	Y91-S94 VanDerWaalsContact O-CB 3.3Å; Y91-S94 WeakPolarHBondContact O-CB 3.37Å; Y91-S94 PolarHBondContact O-N 3.05Å; S94-Y96 VanDerWaalsContact C-N 3.32Å; S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.1Å; S94-Y96 PolarHBondContact OG-O 3.44Å
95	S	70.4	Confident	85.1	Confident	101 Å²	101	74.7 Å²	74.7	71%	0.706	39%	0.385	S	S	*	.	S	Bend	trans	-89.3	2.6	168.7	51.6	0	0	0	0	113.2
96	Y	73.3	Confident	84.9	Confident	173 Å²	173	74.7 Å²	74.7	68%	0.678	39%	0.386	S	S	*	.	S	Bend	trans	-132.4	148.2	-173.3	-59	-77.8	0	0	0	112.3	S94	S94-Y96 VanDerWaalsContact C-N 3.32Å; S94-Y96 PolarHBondContact OG-N 3.06Å; S94-Y96 VanDerWaalsContact OG-N 3.1Å; S94-Y96 PolarHBondContact OG-O 3.44Å
97	F	79.1	Confident	84.6	Confident	71 Å²	71	75.1 Å²	75.1	31%	0.311	39%	0.393	S	S	.	.			trans	-88.6	113.9	169.6	-65.7	-64.6	0	0	0	109.5	N27 I29 A88 R89 D90 Y99 W100	N27-F97 HydrophobicContact CB-CE1 4.03Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.29Å; I29-F97 HydrophobicContact CD1-CD2 4.09Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.68Å; I29-F97 HydrophobicContact CD1-CZ 3.91Å; A88-F97 HydrophobicContact CB-CB 4.23Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CE1 4.47Å; A88-F97 HydrophobicContact CB-CG 4.01Å; R89-F97 CarbonylContact O-C 3.55Å; R89-F97 VanDerWaalsContact O-CA 3.25Å; R89-F97 WeakPolarHBondContact O-CA 3.23Å; D90-F97 HydrophobicContact CB-CD1 3.77Å; D90-F97 HydrophobicContact CB-CE1 4.03Å; F97-Y99 VanDerWaalsContact C-N 3.34Å; F97-W100 HydrophobicContact CB-CZ2 4.26Å; F97-W100 VanDerWaalsContact CB-NE1 3.28Å; F97-W100 AromaticContact CD2-CZ2 3.67Å; F97-W100 HydrophobicContact CD2-CZ2 3.67Å; F97-W100 HydrophobicContact CE2-CZ2 4.42Å; F97-W100 HydrophobicContact CG-CZ2 4.23Å
98	D	80.5	Confident	84.3	Confident	77 Å²	77	74.7 Å²	74.7	41%	0.412	39%	0.39	S	S	.	.	S	Bend	trans	-76.8	-25.4	-175.8	-53.2	-29.1	0	0	0	112.3	R89 Y91	R89-D98 IonicContact NH2-OD2 3.98Å; R89-D98 PolarHBondContact NH2-OD2 2.9Å; R89-D98 PolarHBondContact O-N 3.06Å; Y91-D98 VanDerWaalsContact CD2-OD2 3.31Å; Y91-D98 WeakPolarHBondContact CD2-OD2 3.28Å
99	Y	84.9	Confident	83.9	Confident	141 Å²	141	77.1 Å²	77.1	55%	0.553	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	139	-177	-68.1	-80.3	0	0	0	111.5	A88 R89 F97	A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.28Å; A88-Y99 WeakPolarHBondContact CB-O 3.46Å; R89-Y99 HydrophobicContact CB-CD2 4.46Å; R89-Y99 VanDerWaalsContact CZ-CD2 3.45Å; R89-Y99 VanDerWaalsContact CZ-CE2 3.44Å; R89-Y99 PolarHBondContact N-O 3.48Å; R89-Y99 VanDerWaalsContact NH2-CE2 3.27Å; F97-Y99 VanDerWaalsContact C-N 3.34Å
100	W	91.9	Very high	82.9	Confident	112 Å²	112	84.1 Å²	84.1	42%	0.424	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.9	173.4	-71.8	72	0	0	0	109.8	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CH2 4.43Å; I29-W100 HydrophobicContact CB-CZ3 4.25Å; I29-W100 HydrophobicContact CD1-CH2 3.33Å; I29-W100 HydrophobicContact CD1-CZ2 3.84Å; I29-W100 HydrophobicContact CD1-CZ3 3.76Å; I29-W100 HydrophobicContact CG1-CH2 4.45Å; I29-W100 HydrophobicContact CG2-CH2 4.14Å; I29-W100 HydrophobicContact CG2-CZ3 4.18Å; L37-W100 HydrophobicContact CD1-CH2 4.35Å; Y86-W100 HydrophobicContact CD1-CE3 4.3Å; Y86-W100 HydrophobicContact CD2-CZ3 4.33Å; Y86-W100 HydrophobicContact CG-CE3 4.01Å; Y86-W100 HydrophobicContact CG-CZ3 4.11Å; C87-W100 CarbonylContact O-C 3.54Å; C87-W100 WeakPolarHBondContact O-CA 3.32Å; A88-W100 HydrophobicContact CB-CD2 4.06Å; A88-W100 HydrophobicContact CB-CE3 4.37Å; A88-W100 HydrophobicContact CB-CG 4.37Å; F97-W100 HydrophobicContact CB-CZ2 4.26Å; F97-W100 VanDerWaalsContact CB-NE1 3.28Å; F97-W100 AromaticContact CD2-CZ2 3.67Å; F97-W100 HydrophobicContact CD2-CZ2 3.67Å; F97-W100 HydrophobicContact CE2-CZ2 4.42Å; F97-W100 HydrophobicContact CG-CZ2 4.23Å
101	G	91.7	Very high	82.6	Confident	26 Å²	26	86.9 Å²	86.9	27%	0.268	47%	0.473	S	S	.	.			trans	-70.1	164.5	167.3	0	0	0	0	0	111.4	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.14Å; C87-G101 PolarHBondContact O-N 3.37Å; G101-G103 PolarHBondContact O-N 3.31Å; G101-G103 VanDerWaalsContact O-N 3.13Å
102	Q	92.4	Very high	82.8	Confident	187 Å²	187	86.5 Å²	86.5	87%	0.874	48%	0.478	S	S	*	.			trans	-63.4	-18.6	179.1	-65.9	-63.7	-46.3	0	0	113.7
103	G	93.3	Very high	83.7	Confident	28 Å²	28	80.2 Å²	80.2	29%	0.289	46%	0.461	S	S	.	.			trans	83	151.5	-179.1	0	0	0	0	0	113.2	Y85 Y86 G101	Y85-G103 CarbonylContact O-C 3.58Å; Y85-G103 WeakPolarHBondContact O-CA 3.5Å; Y86-G103 VanDerWaalsContact CD1-CA 3.41Å; G101-G103 PolarHBondContact O-N 3.31Å; G101-G103 VanDerWaalsContact O-N 3.13Å
104	T	94.3	Very high	84.8	Confident	64 Å²	64	80.2 Å²	80.2	39%	0.393	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.7	176.1	-61.9	0	0	0	0	109.3	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.26Å; T84-T104 WeakPolarHBondContact CA-O 3.24Å; Y85-T104 PolarHBondContact N-O 2.99Å; Y85-T104 PolarHBondContact O-N 3.45Å; T104-L106 HydrophobicContact CG2-CD2 4Å; T104-L106 HydrophobicContact CG2-CG 4.39Å
105	T	94	Very high	85.8	Confident	62 Å²	62	82.6 Å²	82.6	38%	0.38	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126	177.3	-52.1	0	0	0	0	111.2	P1 S2 T84	P1-T105 VanDerWaalsContact CA-O 3.24Å; P1-T105 WeakPolarHBondContact CA-O 3.46Å; P1-T105 HydrophobicContact CB-CG2 4.41Å; S2-T105 PolarHBondContact N-O 2.58Å; T84-T105 PolarHBondContact OG1-OG1 3.22Å
106	L	91.7	Very high	86.8	Confident	5 Å²	5	81.3 Å²	81.3	3%	0.026	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.9	177.4	-58.5	179.1	0	0	0	110.4	L10 L12 G83 Y85 T104	L10-L106 HydrophobicContact CD1-CD1 3.41Å; L10-L106 VanDerWaalsContact CD1-CD1 3.41Å; L10-L106 HydrophobicContact CD1-CD2 4.46Å; L10-L106 HydrophobicContact CD2-CD1 3.15Å; L10-L106 HydrophobicContact CG-CD1 3.86Å; L12-L106 HydrophobicContact CD1-CD1 4.17Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CG-CD1 4.43Å; G83-L106 PolarHBondContact N-O 2.81Å; G83-L106 PolarHBondContact O-N 3.39Å; Y85-L106 HydrophobicContact CD2-CB 4.4Å; Y85-L106 HydrophobicContact CD2-CD1 3.8Å; Y85-L106 HydrophobicContact CD2-CG 4.13Å; Y85-L106 HydrophobicContact CE2-CB 4.2Å; Y85-L106 HydrophobicContact CE2-CD1 3.78Å; Y85-L106 HydrophobicContact CE2-CG 4.29Å; T104-L106 HydrophobicContact CG2-CD2 4Å; T104-L106 HydrophobicContact CG2-CG 4.39Å
107	T	91.4	Very high	87.8	Confident	52 Å²	52	74.8 Å²	74.8	32%	0.319	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.9	175.5	-54.9	0	0	0	0	108.6	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 3.36Å; L3-T107 WeakPolarHBondContact CA-O 3.5Å; L3-T107 HydrophobicContact CD1-CG2 4.18Å; V4-T107 PolarHBondContact N-O 2.73Å; T82-T107 HydrophobicContact CG2-CG2 4.43Å
108	V	88.1	Confident	88.4	Confident	10 Å²	10	75.1 Å²	75.1	6%	0.061	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.4	175.6	-175.2	0	0	0	0	108	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.39Å; V4-V108 WeakPolarHBondContact O-CA 3.31Å; P6-V108 HydrophobicContact CG-CG1 4.25Å; V77-V108 HydrophobicContact CB-CG2 4.26Å; V77-V108 HydrophobicContact CG2-CG1 4.22Å; V77-V108 HydrophobicContact CG2-CG2 4.33Å; T78-V108 WeakPolarHBondContact O-CB 3.21Å; T78-V108 WeakPolarHBondContact O-CG1 3.41Å; T82-V108 PolarHBondContact OG1-N 2.87Å
109	S	84.6	Confident	89.1	Confident	51 Å²	51	74.9 Å²	74.9	36%	0.357	42%	0.422	S	S	.	.			trans	-134.6	143.2	179.6	67.3	0	0	0	0	111	L3 V4 P6	L3-S109 VanDerWaalsContact CD1-OG 3.32Å; L3-S109 WeakPolarHBondContact CD1-OG 3.32Å; V4-S109 PolarHBondContact O-N 3.16Å; P6-S109 WeakPolarHBondContact CD-O 3.38Å
110	S	70.9	Confident	89.5	Confident	161 Å²	161	68.9 Å²	68.9	100%	1.126	41%	0.411	S	S	*	.			trans	-71	0	171.4	56.3	0	0	0	0	112.3

Retrieved 110 of 110 residues in 26.6 ms (Link to these results)

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