X5J4R9_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4R9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4R9_MOUSE|X5J4R9
PSLVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTGYNPSLKSRISITRDTSKNQFFLRLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSS
					

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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	63.6	Low	87.1	Confident	142 Å²	142	81.7 Å²	81.7	92%	0.922	48%	0.481	S	S	*	.				0	121.4	0	-2.9	23.5	0	0	0	110.3	T105	P1-T105 WeakPolarHBondContact CA-O 3.42Å; P1-T105 HydrophobicContact CB-CG2 4.46Å
2	S	80.7	Confident	87.8	Confident	65 Å²	65	76.2 Å²	76.2	46%	0.455	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.7	176.5	-49	0	0	0	0	110.2	T105 L106 T107	S2-T105 PolarHBondContact N-O 3.38Å; S2-L106 WeakPolarHBondContact O-CA 3.46Å; S2-T107 PolarHBondContact O-N 3.44Å
3	L	85.1	Confident	88.5	Confident	127 Å²	127	75.8 Å²	75.8	67%	0.665	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.9	178.7	-168.7	67.5	0	0	0	109.9	T107 S109	L3-T107 WeakPolarHBondContact CA-O 3.5Å; L3-T107 HydrophobicContact CD1-CG2 4.07Å; L3-S109 WeakPolarHBondContact CD1-OG 3.37Å
4	V	87.3	Confident	89	Confident	20 Å²	20	71.4 Å²	71.4	12%	0.121	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.6	-178.3	-172.6	0	0	0	0	109.2	Q8 V77 T107 V108 S109	V4-Q8 HydrophobicContact CG1-CB 4.01Å; V4-V77 HydrophobicContact CG1-CG2 3.96Å; V4-T107 PolarHBondContact N-O 2.84Å; V4-V108 HydrophobicContact CB-CG2 4.47Å; V4-V108 WeakPolarHBondContact O-CA 3.32Å; V4-S109 PolarHBondContact O-N 2.77Å
5	K	88.1	Confident	89.4	Confident	133 Å²	133	71.5 Å²	71.5	58%	0.578	43%	0.428	S	S	*	.			trans	-82.6	150.5	176.2	-68.3	-176.2	178.4	-174.7	0	110.7	Q8 V77	K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.46Å; K5-Q8 PolarHBondContact O-N 3.39Å; K5-V77 WeakPolarHBondContact O-CG2 3.34Å
6	P	90.9	Very high	89.6	Confident	47 Å²	47	68.1 Å²	68.1	31%	0.305	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	154.9	174.1	-25.5	34.1	0	0	0	113.1	Q8 V77 V108 S109	P6-Q8 PolarHBondContact O-N 3.02Å; P6-Q8 VanDerWaalsContact O-N 3.07Å; P6-V77 CarbonylContact C-O 3.53Å; P6-V77 WeakPolarHBondContact CA-O 3.13Å; P6-V108 HydrophobicContact CG-CG1 4.23Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
7	S	90.4	Very high	89.6	Confident	100 Å²	100	70.7 Å²	70.7	70%	0.699	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-0.1	-179.7	-53.3	0	0	0	0	115.5	V77	S7-V77 PolarHBondContact N-O 3.48Å
8	Q	91.1	Very high	89.4	Confident	93 Å²	93	72 Å²	72	44%	0.435	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-75	162.3	172.4	-65.7	-171.2	-43.9	0	0	111.6	V4 K5 P6 S76 V77	V4-Q8 HydrophobicContact CG1-CB 4.01Å; K5-Q8 HydrophobicContact CB-CG 4.22Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 WeakPolarHBondContact O-CG 3.46Å; K5-Q8 PolarHBondContact O-N 3.39Å; P6-Q8 PolarHBondContact O-N 3.02Å; P6-Q8 VanDerWaalsContact O-N 3.07Å; Q8-S76 PolarHBondContact O-N 3.17Å; Q8-V77 HydrophobicContact CB-CG2 4.4Å; Q8-V77 WeakPolarHBondContact O-CG2 3.4Å; Q8-V77 PolarHBondContact O-N 3.23Å; Q8-V77 VanDerWaalsContact O-N 3.09Å
9	T	93.3	Very high	89.1	Confident	71 Å²	71	70.9 Å²	70.9	44%	0.436	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-92.3	126.9	168.2	-63	0	0	0	0	108.8	R73 L74 N75	T9-R73 HydrophobicContact CG2-CG 3.63Å; T9-L74 WeakPolarHBondContact CA-O 3.35Å; T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 2.76Å
10	L	92.4	Very high	89.1	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.094	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.4	170.5	172.7	69.2	0	0	0	109.4	L12 R73 L74 V77 L106	L10-L12 HydrophobicContact CD1-CD2 4.29Å; L10-L12 HydrophobicContact CD1-CG 4.23Å; L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.44Å; L10-L12 HydrophobicContact CG-CG 4.1Å; L10-R73 CarbonylContact O-C 3.52Å; L10-R73 WeakPolarHBondContact O-CA 3.3Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 HydrophobicContact CD2-CD2 4.42Å; L10-L74 PolarHBondContact N-O 2.82Å; L10-L74 PolarHBondContact O-N 2.92Å; L10-V77 HydrophobicContact CB-CG1 3.78Å; L10-L106 HydrophobicContact CD1-CD1 3.48Å; L10-L106 VanDerWaalsContact CD1-CD1 3.48Å; L10-L106 HydrophobicContact CD1-CD2 4.42Å; L10-L106 HydrophobicContact CD2-CD1 3.17Å; L10-L106 HydrophobicContact CG-CD1 3.89Å
11	S	95	Very high	89.2	Confident	83 Å²	83	66.3 Å²	66.3	58%	0.58	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.9	171.3	-172	0	0	0	0	109.1	L72	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.39Å
12	L	96.3	Very high	90.4	Very high	15 Å²	15	62.6 Å²	62.6	8%	0.079	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.8	176.3	-67.7	168.2	0	0	0	110.2	L10 W28 F71 L72 Y85 T104 L106	L10-L12 HydrophobicContact CD1-CD2 4.29Å; L10-L12 HydrophobicContact CD1-CG 4.23Å; L10-L12 HydrophobicContact CD2-CD1 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.44Å; L10-L12 HydrophobicContact CG-CG 4.1Å; L12-W28 HydrophobicContact CB-CH2 3.59Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CZ3 4.14Å; L12-F71 CarbonylContact O-C 3.57Å; L12-F71 WeakPolarHBondContact O-CA 3.4Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.28Å; L12-L72 PolarHBondContact N-O 3.25Å; L12-L72 PolarHBondContact O-N 2.99Å; L12-Y85 HydrophobicContact CD1-CD1 3.66Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.38Å; L12-Y85 HydrophobicContact CD1-CG 3.54Å; L12-T104 HydrophobicContact CD2-CG2 4.21Å; L12-L106 HydrophobicContact CD1-CD1 4.02Å; L12-L106 HydrophobicContact CD2-CD1 3.98Å; L12-L106 HydrophobicContact CG-CD1 4.33Å
13	T	96.7	Very high	90.7	Very high	72 Å²	72	61.2 Å²	61.2	44%	0.442	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.9	178.4	-55.6	0	0	0	0	108.7	Q69 F71	T13-Q69 HydrophobicContact CG2-CB 4.32Å; T13-Q69 HydrophobicContact CG2-CG 4.05Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.45Å; T13-F71 VanDerWaalsContact CG2-CE1 3.45Å; T13-F71 HydrophobicContact CG2-CZ 4.31Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 2.94Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å
14	C	95.6	Very high	90.9	Very high	13 Å²	13	55.3 Å²	55.3	9%	0.088	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.7	164.1	-177.3	0	0	0	0	109.1	W28 Q69 F70 C87	C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 4Å; C14-Q69 WeakPolarHBondContact O-CA 3.48Å; C14-F70 HydrophobicContact CB-CD1 3.81Å; C14-F70 HydrophobicContact CB-CE1 3.42Å; C14-F70 VanDerWaalsContact CB-CE1 3.42Å; C14-F70 HydrophobicContact CB-CE2 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.82Å; C14-F70 PolarHBondContact N-O 2.86Å; C14-F70 PolarHBondContact O-N 3.04Å; C14-F70 VanDerWaalsContact SG-CE1 3.52Å; C14-C87 HydrophobicContact CB-CB 3.48Å; C14-C87 VanDerWaalsContact CB-CB 3.48Å; C14-C87 WeakPolarHBondContact CB-SG 3.42Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.65Å
15	S	94.9	Very high	91.2	Very high	74 Å²	74	55.7 Å²	55.7	52%	0.517	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124	175.8	-55.3	0	0	0	0	108.8	Q69	S15-Q69 WeakPolarHBondContact OG-CG 3.36Å; S15-Q69 PolarHBondContact OG-NE2 3.28Å
16	V	91.5	Very high	91.5	Very high	16 Å²	16	50 Å²	50	10%	0.097	33%	0.331	C	S	.	.			trans	-87.8	132.5	178.4	-178.9	0	0	0	0	108.4	D19 W26 N68 F70	V16-D19 HydrophobicContact CG1-CB 4.04Å; V16-D19 WeakPolarHBondContact CG1-O 3.12Å; V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.33Å; V16-W26 HydrophobicContact CG1-CH2 3.54Å; V16-W26 HydrophobicContact CG1-CZ2 3.61Å; V16-W26 HydrophobicContact CG1-CZ3 4.49Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4.12Å; V16-W26 HydrophobicContact CG2-CH2 3.61Å; V16-W26 HydrophobicContact CG2-CZ2 3.72Å; V16-W26 HydrophobicContact CG2-CZ3 3.82Å; V16-N68 PolarHBondContact N-O 2.89Å; V16-N68 PolarHBondContact O-ND2 2.98Å; V16-F70 HydrophobicContact CG2-CD1 4.42Å; V16-F70 HydrophobicContact CG2-CE1 4.33Å
17	S	89.9	Confident	91.7	Very high	113 Å²	113	48 Å²	48	79%	0.79	32%	0.318	S	S	*	.			trans	-129.2	141.4	176.8	62.7	0	0	0	0	109.5	D19	S17-D19 PolarHBondContact O-N 3.31Å
18	G	85.9	Confident	92	Very high	94 Å²	94	43.6 Å²	43.6	97%	0.969	29%	0.286	S	S	*	.	S	Bend	trans	74.7	0.7	-176.8	0	0	0	0	0	115.6
19	D	83.9	Confident	92.3	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	27%	0.266	S	S	.	.	S	Bend	trans	-150.9	173.1	176.5	-174.3	31.3	0	0	0	110.5	V16 S17 S23 N68 R89	V16-D19 HydrophobicContact CG1-CB 4.04Å; V16-D19 WeakPolarHBondContact CG1-O 3.12Å; S17-D19 PolarHBondContact O-N 3.31Å; D19-S23 WeakPolarHBondContact OD1-CB 3.42Å; D19-S23 PolarHBondContact OD1-OG 2.99Å; D19-S23 WeakPolarHBondContact OD2-CB 3.48Å; D19-S23 PolarHBondContact OD2-OG 3.12Å; D19-N68 PolarHBondContact O-ND2 3.33Å; D19-R89 IonicContact OD1-NH1 3.69Å; D19-R89 IonicContact OD2-CZ 3.13Å; D19-R89 IonicContact OD2-NH1 3.8Å; D19-R89 PolarHBondContact OD2-NH1 3.11Å
20	S	88.9	Confident	92.5	Very high	45 Å²	45	36.5 Å²	36.5	32%	0.315	25%	0.247	S	C	.	.			trans	-101	141.2	174.4	179.7	0	0	0	0	112.3	T22 S23 N68	S20-T22 PolarHBondContact O-N 2.77Å; S20-T22 PolarHBondContact OG-N 3.47Å; S20-T22 VanDerWaalsContact OG-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 2.88Å; S20-S23 WeakPolarHBondContact O-CB 3.22Å; S20-S23 PolarHBondContact O-N 2.96Å; S20-S23 PolarHBondContact O-OG 3.37Å; S20-N68 WeakPolarHBondContact CA-OD1 3.42Å
21	I	91	Very high	92.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.9	170.5	-161.7	161.7	0	0	0	113.8	W26 R63 T65 N68 Q69 F70	I21-W26 VanDerWaalsContact CA-NE1 3.34Å; I21-W26 HydrophobicContact CG1-CG 4.27Å; I21-W26 PolarHBondContact O-NE1 2.78Å; I21-R63 HydrophobicContact CD1-CB 3.93Å; I21-T65 HydrophobicContact CG2-CG2 3.94Å; I21-N68 WeakPolarHBondContact CB-OD1 3.2Å; I21-N68 PolarHBondContact N-OD1 2.93Å; I21-Q69 WeakPolarHBondContact CD1-O 3.22Å; I21-F70 HydrophobicContact CD1-CB 3.47Å; I21-F70 VanDerWaalsContact CD1-CB 3.47Å; I21-F70 HydrophobicContact CD1-CD1 3.87Å; I21-F70 HydrophobicContact CD1-CG 4.08Å; I21-F70 VanDerWaalsContact CD1-N 3.34Å; I21-F70 HydrophobicContact CG1-CB 4.48Å
22	T	90.3	Very high	92.7	Very high	64 Å²	64	35.7 Å²	35.7	39%	0.393	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	9.1	175.5	67.9	0	0	0	0	113	S20 Y45 T65	S20-T22 PolarHBondContact O-N 2.77Å; S20-T22 PolarHBondContact OG-N 3.47Å; S20-T22 VanDerWaalsContact OG-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 2.88Å; T22-Y45 WeakPolarHBondContact O-CB 3.13Å; T22-T65 HydrophobicContact CG2-CG2 3.71Å
23	S	86.6	Confident	92.4	Very high	36 Å²	36	39.9 Å²	39.9	25%	0.252	26%	0.261	S	S	.	.	S	Bend	trans	-79.8	-23.9	-178.2	68.8	0	0	0	0	113.5	D19 S20 Y91	D19-S23 WeakPolarHBondContact OD1-CB 3.42Å; D19-S23 PolarHBondContact OD1-OG 2.99Å; D19-S23 WeakPolarHBondContact OD2-CB 3.48Å; D19-S23 PolarHBondContact OD2-OG 3.12Å; S20-S23 WeakPolarHBondContact O-CB 3.22Å; S20-S23 PolarHBondContact O-N 2.96Å; S20-S23 PolarHBondContact O-OG 3.37Å; S23-Y91 VanDerWaalsContact O-CE1 3.23Å; S23-Y91 WeakPolarHBondContact O-CE1 3.21Å
24	G	88.8	Confident	92.2	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	-169.6	-139.7	-172.1	0	0	0	0	0	113.6	N44 Y45	G24-N44 CarbonylContact O-C 3.59Å; G24-N44 WeakPolarHBondContact O-CA 3.46Å; G24-Y45 PolarHBondContact O-N 2.7Å
25	Y	93.1	Very high	91.9	Very high	28 Å²	28	45.2 Å²	45.2	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.3	-179.3	-70.8	-110.6	0	0	0	108.4	N27 Y42 N44 Y45 R89 D90 Y92	Y25-N27 PolarHBondContact O-ND2 2.56Å; Y25-Y42 HydrophobicContact CD1-CD1 4.45Å; Y25-Y42 AromaticContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CD2 3.69Å; Y25-Y42 AromaticContact CD1-CE2 3.79Å; Y25-Y42 HydrophobicContact CD1-CE2 3.79Å; Y25-Y42 HydrophobicContact CD1-CG 4.1Å; Y25-Y42 HydrophobicContact CE1-CD2 4.24Å; Y25-Y42 AromaticContact CE1-CE2 3.85Å; Y25-Y42 HydrophobicContact CE1-CE2 3.85Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CD2-CB 4.38Å; Y25-N44 HydrophobicContact CE1-CB 3.48Å; Y25-N44 VanDerWaalsContact CE1-CB 3.48Å; Y25-N44 HydrophobicContact CE2-CB 4.25Å; Y25-N44 HydrophobicContact CG-CB 4.03Å; Y25-Y45 HydrophobicContact CE2-CD1 4.28Å; Y25-Y45 HydrophobicContact CE2-CE1 4.24Å; Y25-R89 WeakPolarHBondContact O-CA 3.48Å; Y25-D90 WeakPolarHBondContact CB-OD1 3.39Å; Y25-D90 PolarHBondContact N-O 2.79Å; Y25-D90 PolarHBondContact O-N 2.82Å; Y25-Y92 HydrophobicContact CE2-CD2 4.26Å; Y25-Y92 AromaticContact CZ-CD2 3.92Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.28Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.47Å
26	W	94.5	Very high	91.9	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.6	-179	-70.3	96.4	0	0	0	109.3	V16 I21 Y42 I43 F70 R89	V16-W26 HydrophobicContact CB-CH2 4.24Å; V16-W26 HydrophobicContact CB-CZ2 4.33Å; V16-W26 HydrophobicContact CG1-CH2 3.54Å; V16-W26 HydrophobicContact CG1-CZ2 3.61Å; V16-W26 HydrophobicContact CG1-CZ3 4.49Å; V16-W26 HydrophobicContact CG2-CD2 4.21Å; V16-W26 HydrophobicContact CG2-CE3 4.12Å; V16-W26 HydrophobicContact CG2-CH2 3.61Å; V16-W26 HydrophobicContact CG2-CZ2 3.72Å; V16-W26 HydrophobicContact CG2-CZ3 3.82Å; I21-W26 VanDerWaalsContact CA-NE1 3.34Å; I21-W26 HydrophobicContact CG1-CG 4.27Å; I21-W26 PolarHBondContact O-NE1 2.78Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.08Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; W26-I43 HydrophobicContact CB-CG2 4.24Å; W26-I43 PolarHBondContact N-O 3.23Å; W26-I43 PolarHBondContact O-N 3.13Å; W26-F70 HydrophobicContact CB-CD1 4.2Å; W26-F70 HydrophobicContact CB-CD2 4.13Å; W26-F70 HydrophobicContact CB-CE1 3.9Å; W26-F70 HydrophobicContact CB-CE2 3.87Å; W26-F70 HydrophobicContact CB-CG 4.28Å; W26-F70 HydrophobicContact CB-CZ 3.72Å; W26-F70 HydrophobicContact CD2-CE1 4.03Å; W26-F70 HydrophobicContact CD2-CZ 4.43Å; W26-F70 AromaticContact CE3-CE1 3.67Å; W26-F70 HydrophobicContact CE3-CE1 3.67Å; W26-F70 AromaticContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CG-CD1 4.45Å; W26-F70 HydrophobicContact CG-CE1 4.16Å; W26-F70 HydrophobicContact CG-CZ 4.39Å; W26-R89 HydrophobicContact CD2-CB 4.38Å; W26-R89 HydrophobicContact CD2-CG 4.2Å; W26-R89 HydrophobicContact CE3-CB 3.92Å; W26-R89 HydrophobicContact CE3-CG 4.24Å; W26-R89 HydrophobicContact CH2-CB 3.87Å; W26-R89 HydrophobicContact CH2-CG 3.92Å; W26-R89 HydrophobicContact CZ2-CB 4.3Å; W26-R89 VanDerWaalsContact CZ2-CD 3.49Å; W26-R89 HydrophobicContact CZ2-CG 3.85Å; W26-R89 HydrophobicContact CZ3-CB 3.66Å; W26-R89 HydrophobicContact CZ3-CG 4.12Å
27	N	95.7	Very high	92.1	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.2	-166.2	-64.9	-97.2	0	0	0	110.5	Y25 W39 G41 Y42 C87 A88 D90 F97	Y25-N27 PolarHBondContact O-ND2 2.56Å; N27-W39 PolarHBondContact OD1-NE1 3.49Å; N27-G41 WeakPolarHBondContact CA-O 3.48Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.36Å; N27-C87 CarbonylContact O-C 3.49Å; N27-C87 VanDerWaalsContact O-CA 3.29Å; N27-C87 WeakPolarHBondContact O-CA 3.49Å; N27-A88 HydrophobicContact CB-CB 4.47Å; N27-A88 PolarHBondContact N-O 3.04Å; N27-A88 PolarHBondContact O-N 2.96Å; N27-D90 PolarHBondContact ND2-OD1 2.89Å; N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.48Å; N27-F97 VanDerWaalsContact CG-CE1 3.49Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.05Å
28	W	97.2	Very high	92.4	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	165.1	-78	101	0	0	0	109.9	L12 C14 M40 G41 F70 L72	L12-W28 HydrophobicContact CB-CH2 3.59Å; L12-W28 HydrophobicContact CB-CZ2 4.15Å; L12-W28 HydrophobicContact CB-CZ3 4.01Å; L12-W28 HydrophobicContact CD1-CZ3 4.14Å; C14-W28 HydrophobicContact CB-CH2 4.03Å; C14-W28 HydrophobicContact CB-CZ2 4Å; W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 HydrophobicContact CB-SD 4.5Å; W28-M40 WeakPolarHBondContact O-CB 3.31Å; W28-M40 PolarHBondContact O-N 2.88Å; W28-G41 PolarHBondContact N-O 3.45Å; W28-F70 AromaticContact CD1-CD2 3.85Å; W28-F70 AromaticContact CD1-CE2 3.62Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.66Å; W28-F70 HydrophobicContact CG-CE2 4.26Å; W28-F70 HydrophobicContact CZ2-CD2 4.35Å; W28-F70 HydrophobicContact CZ2-CE2 4.21Å; W28-F70 AromaticContact NE1-CD2 3.18Å; W28-F70 AromaticContact NE1-CE2 3.21Å; W28-L72 HydrophobicContact CB-CD2 4.15Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 3.95Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.31Å; W28-L72 HydrophobicContact CE3-CD2 4.11Å; W28-L72 HydrophobicContact CG-CB 3.81Å; W28-L72 HydrophobicContact CG-CD1 4.45Å; W28-L72 HydrophobicContact CG-CD2 3.98Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CZ2-CB 3.93Å
29	I	96.9	Very high	92.8	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.2	-178.6	-57.4	171.1	0	0	0	107.9	L37 E38 Y86 A88 F97 W100	I29-L37 HydrophobicContact CG2-CB 4.29Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; I29-E38 WeakPolarHBondContact CA-O 3.38Å; I29-Y86 PolarHBondContact N-O 3.2Å; I29-Y86 PolarHBondContact O-N 3.45Å; I29-A88 HydrophobicContact CD1-CB 3.8Å; I29-F97 HydrophobicContact CD1-CD2 3.96Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.6Å; I29-F97 HydrophobicContact CD1-CZ 3.9Å; I29-W100 HydrophobicContact CB-CZ3 4.23Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 3.98Å; I29-W100 HydrophobicContact CD1-CZ3 3.65Å; I29-W100 HydrophobicContact CG1-CH2 4.49Å; I29-W100 HydrophobicContact CG2-CH2 4.24Å; I29-W100 HydrophobicContact CG2-CZ3 4.19Å
30	R	96.8	Very high	93.5	Very high	9 Å²	9	46 Å²	46	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.5	173.7	176.6	170.2	65.9	-173.6	10.9	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 3.47Å; R30-E38 IonicContact CZ-OE2 3.61Å; R30-E38 PolarHBondContact N-O 2.6Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 3.32Å; R30-E38 VanDerWaalsContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.65Å; R30-E38 PolarHBondContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact O-N 2.78Å; R30-M40 HydrophobicContact CB-CG 4.24Å; R30-M40 HydrophobicContact CB-SD 3.88Å; R30-D81 IonicContact CZ-OD1 3.19Å; R30-D81 VanDerWaalsContact NH1-CA 3.3Å; R30-D81 IonicContact NH1-OD1 3.4Å; R30-D81 PolarHBondContact NH1-OD1 2.92Å; R30-D81 IonicContact NH2-OD1 2.64Å; R30-T84 CarbonylContact C-O 3.48Å; R30-Y85 HydrophobicContact CB-CD1 4.32Å; R30-Y85 HydrophobicContact CB-CE1 4.2Å; R30-Y85 WeakPolarHBondContact CD-OH 3.44Å; R30-Y85 HydrophobicContact CG-CE1 4.23Å; R30-Y85 HydrophobicContact CG-CE2 4.4Å; R30-Y85 PolarHBondContact NH1-OH 3.02Å
31	Q	97.3	Very high	93.8	Very high	40 Å²	40	43.9 Å²	43.9	19%	0.187	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	168.4	-171.2	179.7	36.5	0	0	109.7	N35 K36 L37 G83 T84 Y86	Q31-N35 PolarHBondContact NE2-OD1 2.92Å; Q31-K36 CarbonylContact C-O 3.51Å; Q31-K36 WeakPolarHBondContact CA-O 3.43Å; Q31-L37 HydrophobicContact CB-CD2 3.6Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.26Å; Q31-T84 PolarHBondContact N-O 3.04Å; Q31-T84 PolarHBondContact O-N 2.79Å; Q31-Y86 HydrophobicContact CB-CD2 4.3Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 PolarHBondContact OE1-OH 2.83Å
32	F	95.5	Very high	94.1	Very high	45 Å²	45	47 Å²	47	20%	0.197	25%	0.252	C	S	.	.			trans	-76.5	158.8	175.2	-64.8	-83.2	0	0	0	111.5	R30 G34 N35 K36 E38 E80	R30-F32 VanDerWaalsContact NH2-CZ 3.27Å; F32-G34 PolarHBondContact O-N 2.87Å; F32-N35 PolarHBondContact O-N 2.87Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.22Å; F32-K36 HydrophobicContact CD2-CD 4.34Å; F32-K36 HydrophobicContact CD2-CG 4.27Å; F32-K36 WeakPolarHBondContact CD2-O 3.38Å; F32-K36 PolarHBondContact N-O 3.13Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.47Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.36Å; F32-E80 WeakPolarHBondContact CE1-O 3.35Å
33	P	90.3	Very high	94.3	Very high	102 Å²	102	44.3 Å²	44.3	66%	0.662	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	126.4	159.9	-23.2	33.8	0	0	0	109.7	T82	P33-T82 WeakPolarHBondContact CD-O 3.39Å; P33-T82 HydrophobicContact CG-CG2 4.32Å
34	G	91.8	Very high	94.7	Very high	72 Å²	72	43.1 Å²	43.1	74%	0.742	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.9	13.5	-171.5	0	0	0	0	0	115.2	F32 K36	F32-G34 PolarHBondContact O-N 2.87Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.88Å
35	N	89.2	Confident	94.7	Very high	126 Å²	126	49 Å²	49	67%	0.674	25%	0.248	S	C	*	.	S	Bend	trans	67.3	10.5	168.5	-59.4	-41	0	0	0	116.7	Q31 F32 L37	Q31-N35 PolarHBondContact NE2-OD1 2.92Å; F32-N35 PolarHBondContact O-N 2.87Å; N35-L37 PolarHBondContact O-N 2.94Å
36	K	94.7	Very high	94.7	Very high	146 Å²	146	51.3 Å²	51.3	64%	0.635	27%	0.269	S	S	*	.			trans	-70	129.5	170.8	-177.7	-178.4	176.7	-173.9	0	110	Q31 F32 G34	Q31-K36 CarbonylContact C-O 3.51Å; Q31-K36 WeakPolarHBondContact CA-O 3.43Å; F32-K36 HydrophobicContact CB-CB 4.47Å; F32-K36 HydrophobicContact CD2-CB 4.22Å; F32-K36 HydrophobicContact CD2-CD 4.34Å; F32-K36 HydrophobicContact CD2-CG 4.27Å; F32-K36 WeakPolarHBondContact CD2-O 3.38Å; F32-K36 PolarHBondContact N-O 3.13Å; G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 2.88Å
37	L	95.1	Very high	94.6	Very high	91 Å²	91	52 Å²	52	48%	0.476	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.3	174.2	-63.7	174.3	0	0	0	111.2	I29 R30 Q31 N35 W100	I29-L37 HydrophobicContact CG2-CB 4.29Å; I29-L37 HydrophobicContact CG2-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.59Å; R30-L37 WeakPolarHBondContact O-CA 3.47Å; Q31-L37 HydrophobicContact CB-CD2 3.6Å; Q31-L37 HydrophobicContact CG-CD2 3.76Å; N35-L37 PolarHBondContact O-N 2.94Å; L37-W100 HydrophobicContact CD1-CH2 4.39Å
38	E	96.4	Very high	94.6	Very high	41 Å²	41	54.9 Å²	54.9	19%	0.192	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.6	172.1	176.1	178.6	-120.6	0	0	109.3	I29 R30 F32 L55	I29-E38 WeakPolarHBondContact CA-O 3.38Å; R30-E38 IonicContact CZ-OE2 3.61Å; R30-E38 PolarHBondContact N-O 2.6Å; R30-E38 IonicContact NE-OE2 2.75Å; R30-E38 PolarHBondContact NE-OE2 3.32Å; R30-E38 VanDerWaalsContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE2 3.65Å; R30-E38 PolarHBondContact NH2-OE2 3.17Å; R30-E38 PolarHBondContact O-N 2.78Å; F32-E38 HydrophobicContact CE2-CB 3.74Å; F32-E38 HydrophobicContact CZ-CB 4.47Å; F32-E38 WeakPolarHBondContact CZ-OE2 3.36Å; E38-L55 HydrophobicContact CG-CD1 4.45Å
39	W	96.1	Very high	94.6	Very high	86 Å²	86	56.8 Å²	56.8	33%	0.326	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	169.2	176.2	81.1	0	0	0	109.3	N27 G41 Y42 N52	N27-W39 PolarHBondContact OD1-NE1 3.49Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; W39-Y42 HydrophobicContact CH2-CD1 4.29Å; W39-Y42 AromaticContact CZ2-CD1 3.52Å; W39-Y42 HydrophobicContact CZ2-CD1 3.52Å; W39-Y42 HydrophobicContact CZ2-CE1 4.21Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; W39-N52 HydrophobicContact CE3-CB 3.96Å; W39-N52 HydrophobicContact CZ3-CB 4.04Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 3.07Å
40	M	97	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-41.5	-177	-57.2	-176.1	72.9	0	0	111.7	W28 R30 N52 L55 I59 L72 Y85	W28-M40 HydrophobicContact CB-CB 4.18Å; W28-M40 HydrophobicContact CB-SD 4.5Å; W28-M40 WeakPolarHBondContact O-CB 3.31Å; W28-M40 PolarHBondContact O-N 2.88Å; R30-M40 HydrophobicContact CB-CG 4.24Å; R30-M40 HydrophobicContact CB-SD 3.88Å; M40-N52 WeakPolarHBondContact O-CB 3.29Å; M40-N52 PolarHBondContact O-N 3.36Å; M40-L55 HydrophobicContact CB-CD1 4.07Å; M40-L55 HydrophobicContact CE-CD1 4.1Å; M40-L55 HydrophobicContact CG-CD1 3.93Å; M40-I59 HydrophobicContact CB-CD1 4.34Å; M40-I59 HydrophobicContact CE-CG2 4.01Å; M40-I59 WeakPolarHBondContact O-CD1 3.33Å; M40-L72 HydrophobicContact CE-CD1 4.49Å; M40-L72 HydrophobicContact CE-CD2 3.8Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.77Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å
41	G	96.4	Very high	94.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	172.2	-175.5	0	0	0	0	0	112.1	N27 W28 W39 G50 I61	N27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 3.45Å; W39-G41 VanDerWaalsContact CZ2-C 3.47Å; G41-G50 CarbonylContact C-O 3.5Å; G41-G50 WeakPolarHBondContact CA-O 3.48Å; G41-I61 VanDerWaalsContact C-CD1 3.44Å
42	Y	95.9	Very high	94.5	Very high	67 Å²	67	58.9 Å²	58.9	26%	0.263	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.7	173.2	71.4	-111.8	0	0	0	112.1	Y25 W26 N27 W39 N44 T49 G50	Y25-Y42 HydrophobicContact CD1-CD1 4.45Å; Y25-Y42 AromaticContact CD1-CD2 3.69Å; Y25-Y42 HydrophobicContact CD1-CD2 3.69Å; Y25-Y42 AromaticContact CD1-CE2 3.79Å; Y25-Y42 HydrophobicContact CD1-CE2 3.79Å; Y25-Y42 HydrophobicContact CD1-CG 4.1Å; Y25-Y42 HydrophobicContact CE1-CD2 4.24Å; Y25-Y42 AromaticContact CE1-CE2 3.85Å; Y25-Y42 HydrophobicContact CE1-CE2 3.85Å; W26-Y42 CarbonylContact O-C 3.52Å; W26-Y42 WeakPolarHBondContact O-CA 3.08Å; W26-Y42 WeakPolarHBondContact O-CB 3.34Å; N27-Y42 WeakPolarHBondContact OD1-CB 3.36Å; W39-Y42 HydrophobicContact CH2-CD1 4.29Å; W39-Y42 AromaticContact CZ2-CD1 3.52Å; W39-Y42 HydrophobicContact CZ2-CD1 3.52Å; W39-Y42 HydrophobicContact CZ2-CE1 4.21Å; W39-Y42 HydrophobicContact CZ2-CG 4.31Å; Y42-N44 HydrophobicContact CD2-CB 4.38Å; Y42-N44 HydrophobicContact CE2-CB 4.29Å; Y42-T49 VanDerWaalsContact O-CA 3.26Å; Y42-T49 WeakPolarHBondContact O-CA 3.23Å; Y42-G50 PolarHBondContact N-O 2.66Å; Y42-G50 PolarHBondContact O-N 2.05Å
43	I	96.1	Very high	94.5	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.036	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.1	158.9	-170.1	163	0	0	0	109.2	W26 S48 T49 I61 R63 F70	W26-I43 HydrophobicContact CB-CG2 4.24Å; W26-I43 PolarHBondContact N-O 3.23Å; W26-I43 PolarHBondContact O-N 3.13Å; I43-S48 WeakPolarHBondContact CA-O 3.48Å; I43-T49 HydrophobicContact CB-CG2 4.03Å; I43-T49 HydrophobicContact CD1-CG2 3.99Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; I43-I61 HydrophobicContact CB-CG2 3.77Å; I43-I61 HydrophobicContact CG2-CG2 3.79Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; I43-F70 HydrophobicContact CG2-CB 4.25Å; I43-F70 HydrophobicContact CG2-CD2 4.33Å
44	N	93.3	Very high	94.7	Very high	11 Å²	11	61.9 Å²	61.9	6%	0.059	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	176.7	-177.4	79.2	-2.5	0	0	0	112.3	G24 Y25 Y42 S46 G47 S48 R63	G24-N44 CarbonylContact O-C 3.59Å; G24-N44 WeakPolarHBondContact O-CA 3.46Å; Y25-N44 HydrophobicContact CD1-CB 3.57Å; Y25-N44 HydrophobicContact CD2-CB 4.38Å; Y25-N44 HydrophobicContact CE1-CB 3.48Å; Y25-N44 VanDerWaalsContact CE1-CB 3.48Å; Y25-N44 HydrophobicContact CE2-CB 4.25Å; Y25-N44 HydrophobicContact CG-CB 4.03Å; Y42-N44 HydrophobicContact CD2-CB 4.38Å; Y42-N44 HydrophobicContact CE2-CB 4.29Å; N44-S46 PolarHBondContact ND2-OG 3.44Å; N44-S46 PolarHBondContact O-N 2.84Å; N44-S46 PolarHBondContact OD1-N 2.9Å; N44-S46 PolarHBondContact OD1-OG 2.75Å; N44-G47 WeakPolarHBondContact O-CA 3.44Å; N44-G47 PolarHBondContact O-N 2.64Å; N44-G47 PolarHBondContact OD1-N 2.83Å; N44-S48 PolarHBondContact N-O 3.06Å; N44-S48 WeakPolarHBondContact OD1-CB 3.48Å; N44-S48 PolarHBondContact OD1-N 2.89Å; N44-S48 PolarHBondContact OD1-O 3.11Å; N44-R63 PolarHBondContact O-NH1 3.13Å
45	Y	90.6	Very high	94.8	Very high	125 Å²	125	58.7 Å²	58.7	49%	0.49	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.8	178.9	65.7	-88.5	0	0	0	114.6	T22 G24 Y25 G47 R63	T22-Y45 WeakPolarHBondContact O-CB 3.13Å; G24-Y45 PolarHBondContact O-N 2.7Å; Y25-Y45 HydrophobicContact CE2-CD1 4.28Å; Y25-Y45 HydrophobicContact CE2-CE1 4.24Å; Y45-G47 VanDerWaalsContact C-N 3.34Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 3.48Å; Y45-R63 PolarHBondContact O-NH2 3.35Å
46	S	92.2	Very high	95	Very high	78 Å²	78	59.3 Å²	59.3	55%	0.545	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.4	174.4	66.8	0	0	0	0	113.7	N44 R63	N44-S46 PolarHBondContact ND2-OG 3.44Å; N44-S46 PolarHBondContact O-N 2.84Å; N44-S46 PolarHBondContact OD1-N 2.9Å; N44-S46 PolarHBondContact OD1-OG 2.75Å; S46-R63 VanDerWaalsContact C-NH2 3.33Å
47	G	93.4	Very high	95	Very high	30 Å²	30	57.6 Å²	57.6	31%	0.309	32%	0.322	S	S	.	.	S	Bend	trans	89	5.1	-177.7	0	0	0	0	0	113.7	N44 Y45	N44-G47 WeakPolarHBondContact O-CA 3.44Å; N44-G47 PolarHBondContact O-N 2.64Å; N44-G47 PolarHBondContact OD1-N 2.83Å; Y45-G47 VanDerWaalsContact C-N 3.34Å
48	S	94.8	Very high	95	Very high	63 Å²	63	56 Å²	56	44%	0.441	31%	0.309	S	S	.	.			trans	-69.4	141.1	172	-173.2	0	0	0	0	110.5	I43 N44	I43-S48 WeakPolarHBondContact CA-O 3.48Å; N44-S48 PolarHBondContact N-O 3.06Å; N44-S48 WeakPolarHBondContact OD1-CB 3.48Å; N44-S48 PolarHBondContact OD1-N 2.89Å; N44-S48 PolarHBondContact OD1-O 3.11Å
49	T	96.6	Very high	95.1	Very high	49 Å²	49	54.6 Å²	54.6	30%	0.301	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139	-177	50.5	0	0	0	0	111.6	Y42 I43 Y51 I61	Y42-T49 VanDerWaalsContact O-CA 3.26Å; Y42-T49 WeakPolarHBondContact O-CA 3.23Å; I43-T49 HydrophobicContact CB-CG2 4.03Å; I43-T49 HydrophobicContact CD1-CG2 3.99Å; I43-T49 HydrophobicContact CG1-CG2 3.89Å; T49-Y51 WeakPolarHBondContact CB-OH 3.14Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.28Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 2.8Å; T49-I61 HydrophobicContact CG2-CB 4.37Å
50	G	95.8	Very high	95.1	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.1	168.4	0	0	0	0	0	109.1	G41 Y42	G41-G50 CarbonylContact C-O 3.5Å; G41-G50 WeakPolarHBondContact CA-O 3.48Å; Y42-G50 PolarHBondContact N-O 2.66Å; Y42-G50 PolarHBondContact O-N 2.05Å
51	Y	97	Very high	95.1	Very high	57 Å²	57	52.9 Å²	52.9	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.2	-177.1	-60	-73.7	0	0	0	110.8	T49 P53 K56 I59 I61	T49-Y51 WeakPolarHBondContact CB-OH 3.14Å; T49-Y51 VanDerWaalsContact OG1-CE2 3.28Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-Y51 PolarHBondContact OG1-OH 2.8Å; Y51-P53 WeakPolarHBondContact O-CD 3.47Å; Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.29Å; Y51-I59 HydrophobicContact CD1-CD1 3.55Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.35Å; Y51-I59 HydrophobicContact CE1-CG1 4.06Å; Y51-I59 HydrophobicContact CG-CD1 4.39Å; Y51-I59 HydrophobicContact CG-CG1 4.46Å; Y51-I61 HydrophobicContact CD1-CD1 4.29Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CG1 4Å
52	N	96.3	Very high	95.2	Very high	28 Å²	28	56.2 Å²	56.2	15%	0.15	32%	0.324	C	S	.	.			trans	-63.2	124.1	164	-177	-30.4	0	0	0	108.9	W39 M40 S54 L55 K56	W39-N52 HydrophobicContact CE3-CB 3.96Å; W39-N52 HydrophobicContact CZ3-CB 4.04Å; W39-N52 VanDerWaalsContact CZ3-N 3.32Å; W39-N52 WeakPolarHBondContact O-CB 3.43Å; W39-N52 PolarHBondContact O-ND2 3.07Å; M40-N52 WeakPolarHBondContact O-CB 3.29Å; M40-N52 PolarHBondContact O-N 3.36Å; N52-S54 PolarHBondContact O-N 3.05Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.94Å; N52-L55 HydrophobicContact CB-CB 4.4Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 2.77Å; N52-K56 PolarHBondContact O-N 3.09Å
53	P	95.8	Very high	95.1	Very high	113 Å²	113	56.2 Å²	56.2	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.8	-178	-28.9	35.7	0	0	0	113.9	Y51 L55	Y51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-L55 PolarHBondContact O-N 2.96Å
54	S	93.6	Very high	95.1	Very high	98 Å²	98	57.9 Å²	57.9	69%	0.685	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.3	-179.8	-58.2	0	0	0	0	113.7	N52	N52-S54 PolarHBondContact O-N 3.05Å; N52-S54 VanDerWaalsContact O-N 3.11Å; N52-S54 PolarHBondContact OD1-N 2.94Å
55	L	94.7	Very high	95.1	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-13.7	-176.2	-63.5	174.1	0	0	0	113.1	E38 M40 N52 P53 S57 R58 I59	E38-L55 HydrophobicContact CG-CD1 4.45Å; M40-L55 HydrophobicContact CB-CD1 4.07Å; M40-L55 HydrophobicContact CE-CD1 4.1Å; M40-L55 HydrophobicContact CG-CD1 3.93Å; N52-L55 HydrophobicContact CB-CB 4.4Å; N52-L55 HydrophobicContact CB-CD1 4.32Å; N52-L55 PolarHBondContact O-N 2.77Å; P53-L55 PolarHBondContact O-N 2.96Å; L55-S57 PolarHBondContact O-N 2.93Å; L55-R58 PolarHBondContact O-N 3.34Å; L55-I59 HydrophobicContact CB-CD1 3.79Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 4.11Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.87Å; L55-I59 VanDerWaalsContact O-N 3.08Å
56	K	93.4	Very high	95.3	Very high	138 Å²	138	60.2 Å²	60.2	60%	0.6	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.2	-171.2	-173.5	176.7	-178.8	-178.2	0	114.8	Y51 N52	Y51-K56 HydrophobicContact CD2-CG 4.21Å; Y51-K56 HydrophobicContact CG-CG 4.29Å; N52-K56 PolarHBondContact O-N 3.09Å
57	S	95.2	Very high	95.4	Very high	111 Å²	111	62.8 Å²	62.8	78%	0.776	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-19.8	178.3	58.5	0	0	0	0	114	L55	L55-S57 PolarHBondContact O-N 2.93Å
58	R	95.6	Very high	95.5	Very high	58 Å²	58	63 Å²	63	22%	0.219	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-23.3	-174.4	-56.8	-162.8	-60.9	135.7	-0	113.4	L55 L74 N75 S76 D81	L55-R58 PolarHBondContact O-N 3.34Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; R58-N75 PolarHBondContact O-N 2.82Å; R58-N75 PolarHBondContact O-ND2 3.07Å; R58-S76 PolarHBondContact NH1-O 2.86Å; R58-D81 IonicContact CZ-OD1 2.66Å; R58-D81 IonicContact CZ-OD2 2.7Å; R58-D81 IonicContact NH1-OD1 3.36Å; R58-D81 PolarHBondContact NH1-OD1 2.85Å; R58-D81 IonicContact NH1-OD2 3.63Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 3.48Å; R58-D81 PolarHBondContact NH2-OD1 3.48Å; R58-D81 IonicContact NH2-OD2 2.83Å
59	I	96.6	Very high	95.6	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.051	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.8	-175.1	68.4	-179.4	0	0	0	113.1	M40 Y51 L55 L72 R73 L74	M40-I59 HydrophobicContact CB-CD1 4.34Å; M40-I59 HydrophobicContact CE-CG2 4.01Å; M40-I59 WeakPolarHBondContact O-CD1 3.33Å; Y51-I59 HydrophobicContact CD1-CD1 3.55Å; Y51-I59 HydrophobicContact CD1-CG1 3.59Å; Y51-I59 HydrophobicContact CE1-CD1 4.35Å; Y51-I59 HydrophobicContact CE1-CG1 4.06Å; Y51-I59 HydrophobicContact CG-CD1 4.39Å; Y51-I59 HydrophobicContact CG-CG1 4.46Å; L55-I59 HydrophobicContact CB-CD1 3.79Å; L55-I59 HydrophobicContact CB-CG1 4.24Å; L55-I59 HydrophobicContact CB-CG2 4.11Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.87Å; L55-I59 VanDerWaalsContact O-N 3.08Å; I59-L72 HydrophobicContact CB-CD1 4.04Å; I59-L72 HydrophobicContact CG2-CD1 4.21Å; I59-R73 CarbonylContact C-O 3.49Å; I59-R73 VanDerWaalsContact CA-O 3.26Å; I59-R73 WeakPolarHBondContact CA-O 3.17Å; I59-L74 HydrophobicContact CG2-CB 4.49Å; I59-L74 HydrophobicContact CG2-CD1 3.51Å
60	S	97.3	Very high	95.5	Very high	46 Å²	46	59.8 Å²	59.8	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	168.5	175.8	0	0	0	0	108.7	R73	S60-R73 PolarHBondContact N-O 2.81Å; S60-R73 PolarHBondContact O-N 2.61Å
61	I	97.8	Very high	95.6	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.2	178.1	-60.1	169.5	0	0	0	108.2	G41 I43 T49 Y51 F71 L72	G41-I61 VanDerWaalsContact C-CD1 3.44Å; I43-I61 HydrophobicContact CB-CG2 3.77Å; I43-I61 HydrophobicContact CG2-CG2 3.79Å; T49-I61 HydrophobicContact CG2-CB 4.37Å; Y51-I61 HydrophobicContact CD1-CD1 4.29Å; Y51-I61 HydrophobicContact CE1-CB 4.26Å; Y51-I61 HydrophobicContact CE1-CD1 4.08Å; Y51-I61 HydrophobicContact CE1-CG1 4Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.48Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å
62	T	96.7	Very high	95.6	Very high	70 Å²	70	58.5 Å²	58.5	43%	0.429	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	168.1	179.8	64	0	0	0	0	110.6	F70 F71	T62-F70 CarbonylContact O-C 3.41Å; T62-F70 VanDerWaalsContact O-CA 3.29Å; T62-F70 WeakPolarHBondContact O-CA 3Å; T62-F70 WeakPolarHBondContact O-CB 3.42Å; T62-F71 PolarHBondContact N-O 2.85Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 3.02Å
63	R	95.6	Very high	95.7	Very high	67 Å²	67	63.4 Å²	63.4	25%	0.253	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.8	176.3	67.4	179.9	-174.4	178.2	4.1	112.6	I21 I43 N44 Y45 S46 Q69 F70	I21-R63 HydrophobicContact CD1-CB 3.93Å; I43-R63 HydrophobicContact CD1-CB 4.02Å; I43-R63 HydrophobicContact CD1-CG 3.76Å; N44-R63 PolarHBondContact O-NH1 3.13Å; Y45-R63 VanDerWaalsContact O-CZ 3.27Å; Y45-R63 PolarHBondContact O-NH1 3.48Å; Y45-R63 PolarHBondContact O-NH2 3.35Å; S46-R63 VanDerWaalsContact C-NH2 3.33Å; R63-Q69 CarbonylContact C-O 3.58Å; R63-Q69 WeakPolarHBondContact CA-O 3.39Å; R63-F70 HydrophobicContact CB-CB 4.21Å
64	D	95.2	Very high	95.7	Very high	42 Å²	42	58 Å²	58	23%	0.225	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.7	168.3	-175.6	-16.7	0	0	0	107.9	S66 K67 N68 Q69 F71	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.68Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 2.95Å; D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 PolarHBondContact OD1-N 2.91Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.32Å; D64-K67 WeakPolarHBondContact OD2-CE 3.38Å; D64-K67 WeakPolarHBondContact OD2-CG 3.01Å; D64-K67 IonicContact OD2-NZ 3.64Å; D64-N68 PolarHBondContact O-N 2.86Å; D64-Q69 PolarHBondContact N-O 3Å; D64-Q69 PolarHBondContact O-N 2.83Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.3Å
65	T	93.8	Very high	95.8	Very high	81 Å²	81	55.6 Å²	55.6	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.8	-179.6	52.4	0	0	0	0	112.3	I21 T22 K67 N68	I21-T65 HydrophobicContact CG2-CG2 3.94Å; T22-T65 HydrophobicContact CG2-CG2 3.71Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.89Å; T65-N68 PolarHBondContact O-N 2.9Å
66	S	93.9	Very high	95.7	Very high	103 Å²	103	58.8 Å²	58.8	72%	0.72	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.9	177.8	75.9	0	0	0	0	112.1	D64	D64-S66 VanDerWaalsContact C-N 3.26Å; D64-S66 PolarHBondContact O-N 2.68Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3Å; D64-S66 PolarHBondContact OD1-OG 2.95Å
67	K	95.4	Very high	95.8	Very high	132 Å²	132	52.3 Å²	52.3	57%	0.574	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.6	178.1	-62.5	-177.9	-169.4	164.7	0	113.8	D64 T65 Q69	D64-K67 HydrophobicContact CB-CB 4.37Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 PolarHBondContact OD1-N 2.91Å; D64-K67 WeakPolarHBondContact OD2-CD 3.36Å; D64-K67 VanDerWaalsContact OD2-CE 3.32Å; D64-K67 WeakPolarHBondContact OD2-CE 3.38Å; D64-K67 WeakPolarHBondContact OD2-CG 3.01Å; D64-K67 IonicContact OD2-NZ 3.64Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.89Å; K67-Q69 VanDerWaalsContact C-N 3.28Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.21Å; K67-Q69 WeakPolarHBondContact O-CG 3.04Å; K67-Q69 PolarHBondContact O-N 3.08Å
68	N	94.8	Very high	95.7	Very high	35 Å²	35	49 Å²	49	19%	0.187	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.9	-174.5	-154.2	32.5	0	0	0	112.9	V16 D19 S20 I21 D64 T65	V16-N68 PolarHBondContact N-O 2.89Å; V16-N68 PolarHBondContact O-ND2 2.98Å; D19-N68 PolarHBondContact O-ND2 3.33Å; S20-N68 WeakPolarHBondContact CA-OD1 3.42Å; I21-N68 WeakPolarHBondContact CB-OD1 3.2Å; I21-N68 PolarHBondContact N-OD1 2.93Å; D64-N68 PolarHBondContact O-N 2.86Å; T65-N68 PolarHBondContact O-N 2.9Å
69	Q	96.1	Very high	95.7	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.3	-172.2	-81.3	172.2	-7.3	0	0	112.3	T13 C14 S15 I21 R63 D64 K67 F71	T13-Q69 HydrophobicContact CG2-CB 4.32Å; T13-Q69 HydrophobicContact CG2-CG 4.05Å; C14-Q69 WeakPolarHBondContact O-CA 3.48Å; S15-Q69 WeakPolarHBondContact OG-CG 3.36Å; S15-Q69 PolarHBondContact OG-NE2 3.28Å; I21-Q69 WeakPolarHBondContact CD1-O 3.22Å; R63-Q69 CarbonylContact C-O 3.58Å; R63-Q69 WeakPolarHBondContact CA-O 3.39Å; D64-Q69 PolarHBondContact N-O 3Å; D64-Q69 PolarHBondContact O-N 2.83Å; K67-Q69 VanDerWaalsContact C-N 3.28Å; K67-Q69 HydrophobicContact CB-CB 4.25Å; K67-Q69 HydrophobicContact CB-CG 4.21Å; K67-Q69 WeakPolarHBondContact O-CG 3.04Å; K67-Q69 PolarHBondContact O-N 3.08Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
70	F	95.9	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.7	166.5	67.9	-67.4	0	0	0	111.4	C14 V16 I21 W26 W28 I43 T62 R63 C87	C14-F70 HydrophobicContact CB-CD1 3.81Å; C14-F70 HydrophobicContact CB-CE1 3.42Å; C14-F70 VanDerWaalsContact CB-CE1 3.42Å; C14-F70 HydrophobicContact CB-CE2 4.49Å; C14-F70 HydrophobicContact CB-CZ 3.82Å; C14-F70 PolarHBondContact N-O 2.86Å; C14-F70 PolarHBondContact O-N 3.04Å; C14-F70 VanDerWaalsContact SG-CE1 3.52Å; V16-F70 HydrophobicContact CG2-CD1 4.42Å; V16-F70 HydrophobicContact CG2-CE1 4.33Å; I21-F70 HydrophobicContact CD1-CB 3.47Å; I21-F70 VanDerWaalsContact CD1-CB 3.47Å; I21-F70 HydrophobicContact CD1-CD1 3.87Å; I21-F70 HydrophobicContact CD1-CG 4.08Å; I21-F70 VanDerWaalsContact CD1-N 3.34Å; I21-F70 HydrophobicContact CG1-CB 4.48Å; W26-F70 HydrophobicContact CB-CD1 4.2Å; W26-F70 HydrophobicContact CB-CD2 4.13Å; W26-F70 HydrophobicContact CB-CE1 3.9Å; W26-F70 HydrophobicContact CB-CE2 3.87Å; W26-F70 HydrophobicContact CB-CG 4.28Å; W26-F70 HydrophobicContact CB-CZ 3.72Å; W26-F70 HydrophobicContact CD2-CE1 4.03Å; W26-F70 HydrophobicContact CD2-CZ 4.43Å; W26-F70 AromaticContact CE3-CE1 3.67Å; W26-F70 HydrophobicContact CE3-CE1 3.67Å; W26-F70 AromaticContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CE3-CZ 3.97Å; W26-F70 HydrophobicContact CG-CD1 4.45Å; W26-F70 HydrophobicContact CG-CE1 4.16Å; W26-F70 HydrophobicContact CG-CZ 4.39Å; W28-F70 AromaticContact CD1-CD2 3.85Å; W28-F70 AromaticContact CD1-CE2 3.62Å; W28-F70 HydrophobicContact CD2-CE2 4.27Å; W28-F70 AromaticContact CE2-CD2 3.91Å; W28-F70 AromaticContact CE2-CE2 3.66Å; W28-F70 HydrophobicContact CG-CE2 4.26Å; W28-F70 HydrophobicContact CZ2-CD2 4.35Å; W28-F70 HydrophobicContact CZ2-CE2 4.21Å; W28-F70 AromaticContact NE1-CD2 3.18Å; W28-F70 AromaticContact NE1-CE2 3.21Å; I43-F70 HydrophobicContact CG2-CB 4.25Å; I43-F70 HydrophobicContact CG2-CD2 4.33Å; T62-F70 CarbonylContact O-C 3.41Å; T62-F70 VanDerWaalsContact O-CA 3.29Å; T62-F70 WeakPolarHBondContact O-CA 3Å; T62-F70 WeakPolarHBondContact O-CB 3.42Å; R63-F70 HydrophobicContact CB-CB 4.21Å; F70-C87 HydrophobicContact CE1-CB 3.89Å; F70-C87 HydrophobicContact CE2-CB 4.19Å; F70-C87 HydrophobicContact CZ-CB 3.3Å
71	F	97.1	Very high	95.3	Very high	42 Å²	42	53.4 Å²	53.4	18%	0.184	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.9	-167.1	-49.3	-88.5	0	0	0	110.3	L12 T13 I61 T62 D64 Q69	L12-F71 CarbonylContact O-C 3.57Å; L12-F71 WeakPolarHBondContact O-CA 3.4Å; T13-F71 HydrophobicContact CG2-CD1 3.81Å; T13-F71 HydrophobicContact CG2-CE1 3.45Å; T13-F71 VanDerWaalsContact CG2-CE1 3.45Å; T13-F71 HydrophobicContact CG2-CZ 4.31Å; T13-F71 VanDerWaalsContact OG1-CD1 3.29Å; T13-F71 WeakPolarHBondContact OG1-CD1 2.94Å; T13-F71 WeakPolarHBondContact OG1-CE1 3.33Å; I61-F71 VanDerWaalsContact CA-O 3.3Å; I61-F71 WeakPolarHBondContact CA-O 3.48Å; T62-F71 PolarHBondContact N-O 2.85Å; T62-F71 VanDerWaalsContact N-O 3.09Å; T62-F71 PolarHBondContact O-N 3.02Å; D64-F71 HydrophobicContact CB-CE2 3.82Å; D64-F71 HydrophobicContact CB-CZ 4.3Å; Q69-F71 HydrophobicContact CB-CE1 4.33Å; Q69-F71 HydrophobicContact CB-CE2 4.06Å; Q69-F71 HydrophobicContact CB-CZ 3.67Å
72	L	97.8	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.2	165.9	172.5	68.2	0	0	0	108.2	S11 L12 W28 M40 I59 I61 Y85	S11-L72 CarbonylContact C-O 3.56Å; S11-L72 WeakPolarHBondContact CA-O 3.39Å; L12-L72 HydrophobicContact CB-CB 4.39Å; L12-L72 HydrophobicContact CD1-CD2 4.28Å; L12-L72 PolarHBondContact N-O 3.25Å; L12-L72 PolarHBondContact O-N 2.99Å; W28-L72 HydrophobicContact CB-CD2 4.15Å; W28-L72 HydrophobicContact CD2-CB 3.63Å; W28-L72 HydrophobicContact CD2-CD2 3.95Å; W28-L72 HydrophobicContact CD2-CG 4.38Å; W28-L72 VanDerWaalsContact CE2-CB 3.42Å; W28-L72 HydrophobicContact CE3-CB 4.31Å; W28-L72 HydrophobicContact CE3-CD2 4.11Å; W28-L72 HydrophobicContact CG-CB 3.81Å; W28-L72 HydrophobicContact CG-CD1 4.45Å; W28-L72 HydrophobicContact CG-CD2 3.98Å; W28-L72 HydrophobicContact CG-CG 4.31Å; W28-L72 HydrophobicContact CZ2-CB 3.93Å; M40-L72 HydrophobicContact CE-CD1 4.49Å; M40-L72 HydrophobicContact CE-CD2 3.8Å; M40-L72 HydrophobicContact SD-CD2 3.74Å; I59-L72 HydrophobicContact CB-CD1 4.04Å; I59-L72 HydrophobicContact CG2-CD1 4.21Å; I61-L72 HydrophobicContact CG1-CD1 3.95Å; L72-Y85 HydrophobicContact CD2-CD1 4.07Å; L72-Y85 HydrophobicContact CD2-CE1 4.33Å
73	R	97.2	Very high	95.1	Very high	131 Å²	131	51.4 Å²	51.4	49%	0.494	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.6	166.1	-176.7	177.3	175	162.2	7.4	108.7	T9 L10 I59 S60 N75	T9-R73 HydrophobicContact CG2-CG 3.63Å; L10-R73 CarbonylContact O-C 3.52Å; L10-R73 WeakPolarHBondContact O-CA 3.3Å; I59-R73 CarbonylContact C-O 3.49Å; I59-R73 VanDerWaalsContact CA-O 3.26Å; I59-R73 WeakPolarHBondContact CA-O 3.17Å; S60-R73 PolarHBondContact N-O 2.81Å; S60-R73 PolarHBondContact O-N 2.61Å; R73-N75 PolarHBondContact NE-OD1 2.91Å
74	L	96.1	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.7	174.2	174.4	65.6	0	0	0	108.5	T9 L10 R58 I59 V77 D81	T9-L74 WeakPolarHBondContact CA-O 3.35Å; L10-L74 HydrophobicContact CB-CB 4.38Å; L10-L74 HydrophobicContact CD2-CD2 4.42Å; L10-L74 PolarHBondContact N-O 2.82Å; L10-L74 PolarHBondContact O-N 2.92Å; R58-L74 HydrophobicContact CB-CD1 3.91Å; I59-L74 HydrophobicContact CG2-CB 4.49Å; I59-L74 HydrophobicContact CG2-CD1 3.51Å; L74-V77 HydrophobicContact CD2-CG1 3.92Å; L74-V77 HydrophobicContact CG-CG1 3.96Å; L74-D81 HydrophobicContact CD2-CB 4.04Å
75	N	95.5	Very high	95.3	Very high	48 Å²	48	47.4 Å²	47.4	26%	0.257	26%	0.255	S	S	.	.			trans	-90.4	150.5	-178.8	-58.2	-46.9	0	0	0	111.1	T9 R58 R73	T9-N75 WeakPolarHBondContact CG2-OD1 3.25Å; T9-N75 PolarHBondContact OG1-OD1 2.76Å; R58-N75 PolarHBondContact O-N 2.82Å; R58-N75 PolarHBondContact O-ND2 3.07Å; R73-N75 PolarHBondContact NE-OD1 2.91Å
76	S	93.4	Very high	95.5	Very high	71 Å²	71	45.6 Å²	45.6	50%	0.497	24%	0.239	S	C	.	.	S	Bend	trans	52.6	59.7	175.9	-54.8	0	0	0	0	112.2	Q8 R58	Q8-S76 PolarHBondContact O-N 3.17Å; R58-S76 PolarHBondContact NH1-O 2.86Å
77	V	94.4	Very high	95.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	21%	0.21	C	C	.	.			trans	-64.4	142.1	-179	-61.3	0	0	0	0	111.6	V4 K5 P6 S7 Q8 L10 L74 D81 V108	V4-V77 HydrophobicContact CG1-CG2 3.96Å; K5-V77 WeakPolarHBondContact O-CG2 3.34Å; P6-V77 CarbonylContact C-O 3.53Å; P6-V77 WeakPolarHBondContact CA-O 3.13Å; S7-V77 PolarHBondContact N-O 3.48Å; Q8-V77 HydrophobicContact CB-CG2 4.4Å; Q8-V77 WeakPolarHBondContact O-CG2 3.4Å; Q8-V77 PolarHBondContact O-N 3.23Å; Q8-V77 VanDerWaalsContact O-N 3.09Å; L10-V77 HydrophobicContact CB-CG1 3.78Å; L74-V77 HydrophobicContact CD2-CG1 3.92Å; L74-V77 HydrophobicContact CG-CG1 3.96Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.49Å; V77-V108 HydrophobicContact CB-CG2 4.26Å; V77-V108 HydrophobicContact CG2-CG1 4.06Å; V77-V108 HydrophobicContact CG2-CG2 4.22Å
78	T	94.4	Very high	95.5	Very high	43 Å²	43	35.2 Å²	35.2	26%	0.264	18%	0.183	S	C	.	.			trans	-120.3	167.3	177.1	65.9	0	0	0	0	110.5	E80 D81 V108	T78-E80 WeakPolarHBondContact CB-OE2 3.16Å; T78-E80 PolarHBondContact O-N 3.09Å; T78-E80 PolarHBondContact OG1-N 2.89Å; T78-E80 PolarHBondContact OG1-OE2 2.87Å; T78-D81 PolarHBondContact N-OD2 3.16Å; T78-D81 WeakPolarHBondContact O-CB 3.23Å; T78-D81 PolarHBondContact O-N 2.87Å; T78-D81 PolarHBondContact OG1-OD2 2.84Å; T78-V108 WeakPolarHBondContact O-CB 3.22Å; T78-V108 WeakPolarHBondContact O-CG1 3.42Å
79	P	93.8	Very high	95.4	Very high	72 Å²	72	34.2 Å²	34.2	47%	0.468	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-53.7	-31.2	172.6	-28.7	37.9	0	0	0	113.8	D81 T82	P79-D81 PolarHBondContact O-N 3.44Å; P79-T82 VanDerWaalsContact O-CB 3.25Å; P79-T82 WeakPolarHBondContact O-CB 3.26Å; P79-T82 PolarHBondContact O-N 3.04Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.78Å
80	E	92.2	Very high	95.1	Very high	132 Å²	132	33.6 Å²	33.6	62%	0.617	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-64.9	-18.6	174.8	-56.9	92.2	-154.5	0	0	113.1	F32 T78 T82	F32-E80 WeakPolarHBondContact CE1-O 3.35Å; T78-E80 WeakPolarHBondContact CB-OE2 3.16Å; T78-E80 PolarHBondContact O-N 3.09Å; T78-E80 PolarHBondContact OG1-N 2.89Å; T78-E80 PolarHBondContact OG1-OE2 2.87Å; E80-T82 PolarHBondContact O-N 2.91Å
81	D	94.2	Very high	94.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-81.4	3	176.2	-60.2	-48.8	0	0	0	113.4	R30 R58 L74 V77 T78 P79 G83 Y85	R30-D81 IonicContact CZ-OD1 3.19Å; R30-D81 VanDerWaalsContact NH1-CA 3.3Å; R30-D81 IonicContact NH1-OD1 3.4Å; R30-D81 PolarHBondContact NH1-OD1 2.92Å; R30-D81 IonicContact NH2-OD1 2.64Å; R58-D81 IonicContact CZ-OD1 2.66Å; R58-D81 IonicContact CZ-OD2 2.7Å; R58-D81 IonicContact NH1-OD1 3.36Å; R58-D81 PolarHBondContact NH1-OD1 2.85Å; R58-D81 IonicContact NH1-OD2 3.63Å; R58-D81 PolarHBondContact NH1-OD2 3Å; R58-D81 IonicContact NH2-OD1 3.48Å; R58-D81 PolarHBondContact NH2-OD1 3.48Å; R58-D81 IonicContact NH2-OD2 2.83Å; L74-D81 HydrophobicContact CD2-CB 4.04Å; V77-D81 VanDerWaalsContact CA-OD2 3.31Å; V77-D81 WeakPolarHBondContact CA-OD2 3.49Å; T78-D81 PolarHBondContact N-OD2 3.16Å; T78-D81 WeakPolarHBondContact O-CB 3.23Å; T78-D81 PolarHBondContact O-N 2.87Å; T78-D81 PolarHBondContact OG1-OD2 2.84Å; P79-D81 PolarHBondContact O-N 3.44Å; D81-G83 PolarHBondContact O-N 2.75Å; D81-Y85 WeakPolarHBondContact O-CE2 3.28Å; D81-Y85 PolarHBondContact O-OH 2.92Å
82	T	95.3	Very high	93.1	Very high	29 Å²	29	45.8 Å²	45.8	18%	0.178	22%	0.221	C	C	.	.			trans	-64.4	129.7	172.6	-66.3	0	0	0	0	111.2	P33 P79 E80 T107 V108	P33-T82 WeakPolarHBondContact CD-O 3.39Å; P33-T82 HydrophobicContact CG-CG2 4.32Å; P79-T82 VanDerWaalsContact O-CB 3.25Å; P79-T82 WeakPolarHBondContact O-CB 3.26Å; P79-T82 PolarHBondContact O-N 3.04Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.78Å; E80-T82 PolarHBondContact O-N 2.91Å; T82-T107 HydrophobicContact CG2-CG2 4.46Å; T82-V108 PolarHBondContact OG1-N 2.86Å
83	G	95.9	Very high	91.7	Very high	4 Å²	4	49.6 Å²	49.6	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-179.1	-180	0	0	0	0	0	113.3	Q31 D81 L106	Q31-G83 CarbonylContact O-C 3.6Å; Q31-G83 WeakPolarHBondContact O-CA 3.26Å; D81-G83 PolarHBondContact O-N 2.75Å; G83-L106 PolarHBondContact N-O 2.97Å; G83-L106 PolarHBondContact O-N 2.58Å
84	T	97.3	Very high	90.6	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.135	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.7	170.9	-56.2	0	0	0	0	109.8	R30 Q31 Y86 T104 T105	R30-T84 CarbonylContact C-O 3.48Å; Q31-T84 PolarHBondContact N-O 3.04Å; Q31-T84 PolarHBondContact O-N 2.79Å; T84-Y86 HydrophobicContact CG2-CD1 4.46Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.79Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; T84-T104 WeakPolarHBondContact CA-O 3.28Å; T84-T105 PolarHBondContact OG1-OG1 3.38Å
85	Y	97.4	Very high	89.5	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.6	-178.2	-69.6	-103.5	0	0	0	109.6	L12 R30 M40 L72 D81 G103 T104 L106	L12-Y85 HydrophobicContact CD1-CD1 3.66Å; L12-Y85 HydrophobicContact CD1-CD2 4.2Å; L12-Y85 HydrophobicContact CD1-CE1 4.38Å; L12-Y85 HydrophobicContact CD1-CG 3.54Å; R30-Y85 HydrophobicContact CB-CD1 4.32Å; R30-Y85 HydrophobicContact CB-CE1 4.2Å; R30-Y85 WeakPolarHBondContact CD-OH 3.44Å; R30-Y85 HydrophobicContact CG-CE1 4.23Å; R30-Y85 HydrophobicContact CG-CE2 4.4Å; R30-Y85 PolarHBondContact NH1-OH 3.02Å; M40-Y85 HydrophobicContact CE-CE1 3.9Å; M40-Y85 HydrophobicContact SD-CD1 3.77Å; M40-Y85 HydrophobicContact SD-CE1 3.63Å; L72-Y85 HydrophobicContact CD2-CD1 4.07Å; L72-Y85 HydrophobicContact CD2-CE1 4.33Å; D81-Y85 WeakPolarHBondContact O-CE2 3.28Å; D81-Y85 PolarHBondContact O-OH 2.92Å; Y85-G103 CarbonylContact O-C 3.42Å; Y85-G103 WeakPolarHBondContact O-CA 3.4Å; Y85-T104 PolarHBondContact N-O 3.3Å; Y85-T104 PolarHBondContact O-N 3.48Å; Y85-L106 HydrophobicContact CD2-CB 4.35Å; Y85-L106 HydrophobicContact CD2-CD1 3.71Å; Y85-L106 HydrophobicContact CD2-CG 4.07Å; Y85-L106 HydrophobicContact CE2-CB 4.15Å; Y85-L106 HydrophobicContact CE2-CD1 3.75Å; Y85-L106 HydrophobicContact CE2-CG 4.27Å; Y85-L106 HydrophobicContact CG-CD1 4.47Å
86	Y	97	Very high	88.7	Confident	44 Å²	44	56.9 Å²	56.9	17%	0.173	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.8	-179.4	-58.2	-85.8	0	0	0	110.3	I29 Q31 T84 W100 G101	I29-Y86 PolarHBondContact N-O 3.2Å; I29-Y86 PolarHBondContact O-N 3.45Å; Q31-Y86 HydrophobicContact CB-CD2 4.3Å; Q31-Y86 HydrophobicContact CB-CE2 3.61Å; Q31-Y86 PolarHBondContact OE1-OH 2.83Å; T84-Y86 HydrophobicContact CG2-CD1 4.46Å; T84-Y86 HydrophobicContact CG2-CD2 4.26Å; T84-Y86 HydrophobicContact CG2-CE1 3.79Å; T84-Y86 HydrophobicContact CG2-CE2 3.56Å; T84-Y86 WeakPolarHBondContact CG2-OH 3.49Å; Y86-W100 HydrophobicContact CD1-CE3 4.47Å; Y86-W100 HydrophobicContact CD2-CZ3 4.49Å; Y86-W100 HydrophobicContact CG-CE3 4.14Å; Y86-W100 HydrophobicContact CG-CZ3 4.26Å; Y86-G101 WeakPolarHBondContact CD1-O 3.48Å
87	C	95.3	Very high	88.2	Confident	15 Å²	15	56.9 Å²	56.9	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.5	157.1	39.5	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 3.42Å; C14-C87 WeakPolarHBondContact SG-CB 3.4Å; C14-C87 CovalentContact SG-SG 2.05Å; C14-C87 PolarHBondContact SG-SG 2.65Å; N27-C87 CarbonylContact O-C 3.49Å; N27-C87 VanDerWaalsContact O-CA 3.29Å; N27-C87 WeakPolarHBondContact O-CA 3.49Å; F70-C87 HydrophobicContact CE1-CB 3.89Å; F70-C87 HydrophobicContact CE2-CB 4.19Å; F70-C87 HydrophobicContact CZ-CB 3.3Å; C87-W100 CarbonylContact O-C 3.58Å; C87-W100 WeakPolarHBondContact O-CA 3.49Å; C87-G101 PolarHBondContact O-N 3.44Å
88	A	94.4	Very high	87.6	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.7	175.2	0	0	0	0	0	111.6	N27 I29 F97 Y99 W100	N27-A88 HydrophobicContact CB-CB 4.47Å; N27-A88 PolarHBondContact N-O 3.04Å; N27-A88 PolarHBondContact O-N 2.96Å; I29-A88 HydrophobicContact CD1-CB 3.8Å; A88-F97 HydrophobicContact CB-CB 4.13Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CG 3.93Å; A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.36Å; A88-Y99 WeakPolarHBondContact CB-O 3.12Å; A88-W100 HydrophobicContact CB-CD2 4.02Å; A88-W100 HydrophobicContact CB-CE3 4.2Å; A88-W100 HydrophobicContact CB-CG 4.43Å
89	R	92.5	Very high	87.3	Confident	15 Å²	15	64.7 Å²	64.7	6%	0.057	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.2	177.4	-165.7	-175.2	74.5	170.1	10.4	110.8	D19 Y25 W26 Y91 F97 D98 Y99	D19-R89 IonicContact OD1-NH1 3.69Å; D19-R89 IonicContact OD2-CZ 3.13Å; D19-R89 IonicContact OD2-NH1 3.8Å; D19-R89 PolarHBondContact OD2-NH1 3.11Å; Y25-R89 WeakPolarHBondContact O-CA 3.48Å; W26-R89 HydrophobicContact CD2-CB 4.38Å; W26-R89 HydrophobicContact CD2-CG 4.2Å; W26-R89 HydrophobicContact CE3-CB 3.92Å; W26-R89 HydrophobicContact CE3-CG 4.24Å; W26-R89 HydrophobicContact CH2-CB 3.87Å; W26-R89 HydrophobicContact CH2-CG 3.92Å; W26-R89 HydrophobicContact CZ2-CB 4.3Å; W26-R89 VanDerWaalsContact CZ2-CD 3.49Å; W26-R89 HydrophobicContact CZ2-CG 3.85Å; W26-R89 HydrophobicContact CZ3-CB 3.66Å; W26-R89 HydrophobicContact CZ3-CG 4.12Å; R89-Y91 PolarHBondContact NH1-OH 2.89Å; R89-Y91 VanDerWaalsContact NH2-CE2 3.25Å; R89-Y91 PolarHBondContact NH2-OH 2.88Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.42Å; R89-F97 WeakPolarHBondContact O-CD1 3.29Å; R89-D98 WeakPolarHBondContact CB-OD1 3.34Å; R89-D98 IonicContact CZ-OD1 3.67Å; R89-D98 IonicContact CZ-OD2 3.83Å; R89-D98 IonicContact NE-OD1 2.61Å; R89-D98 PolarHBondContact NE-OD1 2.92Å; R89-D98 IonicContact NE-OD2 3.07Å; R89-D98 PolarHBondContact NE-OD2 3.03Å; R89-D98 IonicContact NH2-OD1 3.8Å; R89-D98 IonicContact NH2-OD2 3.79Å; R89-D98 PolarHBondContact NH2-OD2 3.3Å; R89-D98 PolarHBondContact O-N 3Å; R89-Y99 PolarHBondContact N-O 3.18Å
90	D	89.2	Confident	87.2	Confident	30 Å²	30	66.7 Å²	66.7	16%	0.16	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	170.4	162.5	67.4	-39.1	0	0	0	111.4	Y25 N27 F97	Y25-D90 WeakPolarHBondContact CB-OD1 3.39Å; Y25-D90 PolarHBondContact N-O 2.79Å; Y25-D90 PolarHBondContact O-N 2.82Å; N27-D90 PolarHBondContact ND2-OD1 2.89Å; D90-F97 HydrophobicContact CB-CD1 3.78Å; D90-F97 HydrophobicContact CB-CE1 4.06Å
91	Y	82.8	Confident	87.3	Confident	97 Å²	97	61.6 Å²	61.6	38%	0.38	31%	0.312	S	S	.	.			trans	-113.1	153.9	173.6	-69.8	-74.8	0	0	0	110.7	S23 R89 G93 S94 D98	S23-Y91 VanDerWaalsContact O-CE1 3.23Å; S23-Y91 WeakPolarHBondContact O-CE1 3.21Å; R89-Y91 PolarHBondContact NH1-OH 2.89Å; R89-Y91 VanDerWaalsContact NH2-CE2 3.25Å; R89-Y91 PolarHBondContact NH2-OH 2.88Å; Y91-G93 PolarHBondContact O-N 3.19Å; Y91-G93 VanDerWaalsContact O-N 3.16Å; Y91-S94 WeakPolarHBondContact O-CB 3.48Å; Y91-S94 PolarHBondContact O-N 3.38Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.23Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.29Å
92	Y	68.9	Low	87.2	Confident	202 Å²	202	70.6 Å²	70.6	79%	0.792	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	121.9	176.1	-171.1	-106	0	0	0	110.9	Y25	Y25-Y92 HydrophobicContact CE2-CD2 4.26Å; Y25-Y92 AromaticContact CZ-CD2 3.92Å; Y25-Y92 VanDerWaalsContact OH-CD2 3.28Å; Y25-Y92 WeakPolarHBondContact OH-CD2 3.47Å
93	G	68.7	Low	87.1	Confident	80 Å²	80	70.5 Å²	70.5	83%	0.825	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	1.1	-177.4	0	0	0	0	0	115.2	Y91	Y91-G93 PolarHBondContact O-N 3.19Å; Y91-G93 VanDerWaalsContact O-N 3.16Å
94	S	73.5	Confident	87.1	Confident	52 Å²	52	73.4 Å²	73.4	36%	0.364	38%	0.376	S	S	.	.			trans	-79	138.6	170.2	-174.6	0	0	0	0	111	Y91 Y96	Y91-S94 WeakPolarHBondContact O-CB 3.48Å; Y91-S94 PolarHBondContact O-N 3.38Å; S94-Y96 PolarHBondContact OG-N 2.9Å; S94-Y96 VanDerWaalsContact OG-N 3.13Å; S94-Y96 PolarHBondContact OG-O 2.82Å
95	S	74.1	Confident	87	Confident	100 Å²	100	75.3 Å²	75.3	70%	0.699	39%	0.388	S	S	*	.	S	Bend	trans	-91.2	2.4	169.1	52.5	0	0	0	0	113.3
96	Y	77.6	Confident	86.7	Confident	180 Å²	180	75.4 Å²	75.4	71%	0.706	39%	0.388	S	S	*	.	S	Bend	trans	-135.1	145.8	-173.9	-57.6	-76.8	0	0	0	112.3	S94	S94-Y96 PolarHBondContact OG-N 2.9Å; S94-Y96 VanDerWaalsContact OG-N 3.13Å; S94-Y96 PolarHBondContact OG-O 2.82Å
97	F	82.6	Confident	86.5	Confident	70 Å²	70	75.9 Å²	75.9	31%	0.307	40%	0.396	S	S	.	.			trans	-84.2	117.5	167.3	-63.7	-64.3	0	0	0	109.5	N27 I29 A88 R89 D90 W100	N27-F97 HydrophobicContact CB-CE1 3.99Å; N27-F97 HydrophobicContact CB-CZ 4.48Å; N27-F97 VanDerWaalsContact CG-CE1 3.49Å; N27-F97 WeakPolarHBondContact ND2-CE1 3.05Å; I29-F97 HydrophobicContact CD1-CD2 3.96Å; I29-F97 HydrophobicContact CD1-CE1 4.49Å; I29-F97 HydrophobicContact CD1-CE2 3.6Å; I29-F97 HydrophobicContact CD1-CZ 3.9Å; A88-F97 HydrophobicContact CB-CB 4.13Å; A88-F97 HydrophobicContact CB-CD1 3.88Å; A88-F97 HydrophobicContact CB-CG 3.93Å; R89-F97 CarbonylContact O-C 3.58Å; R89-F97 WeakPolarHBondContact O-CA 3.42Å; R89-F97 WeakPolarHBondContact O-CD1 3.29Å; D90-F97 HydrophobicContact CB-CD1 3.78Å; D90-F97 HydrophobicContact CB-CE1 4.06Å; F97-W100 HydrophobicContact CB-CZ2 4.08Å; F97-W100 HydrophobicContact CD2-CH2 4.33Å; F97-W100 AromaticContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CE2-CZ2 4.46Å; F97-W100 HydrophobicContact CG-CZ2 4.15Å
98	D	83.3	Confident	86.3	Confident	70 Å²	70	75.6 Å²	75.6	37%	0.374	39%	0.394	S	S	.	.			trans	-87.5	-22	-174.9	59	-9.3	0	0	0	113.2	R89 Y91	R89-D98 WeakPolarHBondContact CB-OD1 3.34Å; R89-D98 IonicContact CZ-OD1 3.67Å; R89-D98 IonicContact CZ-OD2 3.83Å; R89-D98 IonicContact NE-OD1 2.61Å; R89-D98 PolarHBondContact NE-OD1 2.92Å; R89-D98 IonicContact NE-OD2 3.07Å; R89-D98 PolarHBondContact NE-OD2 3.03Å; R89-D98 IonicContact NH2-OD1 3.8Å; R89-D98 IonicContact NH2-OD2 3.79Å; R89-D98 PolarHBondContact NH2-OD2 3.3Å; R89-D98 PolarHBondContact O-N 3Å; Y91-D98 VanDerWaalsContact CE2-OD2 3.23Å; Y91-D98 WeakPolarHBondContact CE2-OD2 3.29Å
99	Y	87	Confident	86	Confident	140 Å²	140	77.9 Å²	77.9	55%	0.549	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.7	173.6	-68.8	-93.2	0	0	0	111.8	A88 R89	A88-Y99 CarbonylContact C-O 3.59Å; A88-Y99 WeakPolarHBondContact CA-O 3.36Å; A88-Y99 WeakPolarHBondContact CB-O 3.12Å; R89-Y99 PolarHBondContact N-O 3.18Å
100	W	92.9	Very high	85.1	Confident	113 Å²	113	84.7 Å²	84.7	43%	0.428	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.8	173.2	-70.7	75.5	0	0	0	109.9	I29 L37 Y86 C87 A88 F97	I29-W100 HydrophobicContact CB-CZ3 4.23Å; I29-W100 HydrophobicContact CD1-CH2 3.32Å; I29-W100 HydrophobicContact CD1-CZ2 3.98Å; I29-W100 HydrophobicContact CD1-CZ3 3.65Å; I29-W100 HydrophobicContact CG1-CH2 4.49Å; I29-W100 HydrophobicContact CG2-CH2 4.24Å; I29-W100 HydrophobicContact CG2-CZ3 4.19Å; L37-W100 HydrophobicContact CD1-CH2 4.39Å; Y86-W100 HydrophobicContact CD1-CE3 4.47Å; Y86-W100 HydrophobicContact CD2-CZ3 4.49Å; Y86-W100 HydrophobicContact CG-CE3 4.14Å; Y86-W100 HydrophobicContact CG-CZ3 4.26Å; C87-W100 CarbonylContact O-C 3.58Å; C87-W100 WeakPolarHBondContact O-CA 3.49Å; A88-W100 HydrophobicContact CB-CD2 4.02Å; A88-W100 HydrophobicContact CB-CE3 4.2Å; A88-W100 HydrophobicContact CB-CG 4.43Å; F97-W100 HydrophobicContact CB-CZ2 4.08Å; F97-W100 HydrophobicContact CD2-CH2 4.33Å; F97-W100 AromaticContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CD2-CZ2 3.61Å; F97-W100 HydrophobicContact CE2-CZ2 4.46Å; F97-W100 HydrophobicContact CG-CZ2 4.15Å
101	G	92.6	Very high	84.9	Confident	25 Å²	25	87.4 Å²	87.4	26%	0.258	47%	0.474	S	S	.	.			trans	-70.1	163.6	167.1	0	0	0	0	0	111.4	Y86 C87 G103	Y86-G101 WeakPolarHBondContact CD1-O 3.48Å; C87-G101 PolarHBondContact O-N 3.44Å; G101-G103 PolarHBondContact O-N 3.06Å; G101-G103 VanDerWaalsContact O-N 3.13Å
102	Q	92.9	Very high	85.1	Confident	190 Å²	190	86.9 Å²	86.9	89%	0.888	48%	0.479	S	S	*	.			trans	-63.6	-18.6	178.8	-64.9	-62.9	-49.4	0	0	113.7
103	G	93.7	Very high	86	Confident	27 Å²	27	80.5 Å²	80.5	28%	0.278	46%	0.462	S	S	.	.			trans	82.7	152.5	-179.1	0	0	0	0	0	113.5	Y85 G101	Y85-G103 CarbonylContact O-C 3.42Å; Y85-G103 WeakPolarHBondContact O-CA 3.4Å; G101-G103 PolarHBondContact O-N 3.06Å; G101-G103 VanDerWaalsContact O-N 3.13Å
104	T	94.8	Very high	87	Confident	65 Å²	65	80.5 Å²	80.5	40%	0.399	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	175.9	-63.3	0	0	0	0	109.4	L12 T84 Y85 L106	L12-T104 HydrophobicContact CD2-CG2 4.21Å; T84-T104 WeakPolarHBondContact CA-O 3.28Å; Y85-T104 PolarHBondContact N-O 3.3Å; Y85-T104 PolarHBondContact O-N 3.48Å; T104-L106 HydrophobicContact CG2-CD2 3.98Å; T104-L106 HydrophobicContact CG2-CG 4.36Å
105	T	94.9	Very high	87.8	Confident	62 Å²	62	82.3 Å²	82.3	38%	0.38	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.1	176.5	-51.9	0	0	0	0	111.2	P1 S2 T84	P1-T105 WeakPolarHBondContact CA-O 3.42Å; P1-T105 HydrophobicContact CB-CG2 4.46Å; S2-T105 PolarHBondContact N-O 3.38Å; T84-T105 PolarHBondContact OG1-OG1 3.38Å
106	L	92.8	Very high	88.7	Confident	5 Å²	5	81.1 Å²	81.1	3%	0.026	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.4	177.4	-58.2	178	0	0	0	110.3	S2 L10 L12 G83 Y85 T104	S2-L106 WeakPolarHBondContact O-CA 3.46Å; L10-L106 HydrophobicContact CD1-CD1 3.48Å; L10-L106 VanDerWaalsContact CD1-CD1 3.48Å; L10-L106 HydrophobicContact CD1-CD2 4.42Å; L10-L106 HydrophobicContact CD2-CD1 3.17Å; L10-L106 HydrophobicContact CG-CD1 3.89Å; L12-L106 HydrophobicContact CD1-CD1 4.02Å; L12-L106 HydrophobicContact CD2-CD1 3.98Å; L12-L106 HydrophobicContact CG-CD1 4.33Å; G83-L106 PolarHBondContact N-O 2.97Å; G83-L106 PolarHBondContact O-N 2.58Å; Y85-L106 HydrophobicContact CD2-CB 4.35Å; Y85-L106 HydrophobicContact CD2-CD1 3.71Å; Y85-L106 HydrophobicContact CD2-CG 4.07Å; Y85-L106 HydrophobicContact CE2-CB 4.15Å; Y85-L106 HydrophobicContact CE2-CD1 3.75Å; Y85-L106 HydrophobicContact CE2-CG 4.27Å; Y85-L106 HydrophobicContact CG-CD1 4.47Å; T104-L106 HydrophobicContact CG2-CD2 3.98Å; T104-L106 HydrophobicContact CG2-CG 4.36Å
107	T	93.1	Very high	89.5	Confident	54 Å²	54	74.1 Å²	74.1	33%	0.331	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	175.9	-55.6	0	0	0	0	108.5	S2 L3 V4 T82	S2-T107 PolarHBondContact O-N 3.44Å; L3-T107 WeakPolarHBondContact CA-O 3.5Å; L3-T107 HydrophobicContact CD1-CG2 4.07Å; V4-T107 PolarHBondContact N-O 2.84Å; T82-T107 HydrophobicContact CG2-CG2 4.46Å
108	V	90.6	Very high	90.1	Very high	9 Å²	9	74.4 Å²	74.4	6%	0.055	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.7	175.2	-174.5	0	0	0	0	108	V4 P6 V77 T78 T82	V4-V108 HydrophobicContact CB-CG2 4.47Å; V4-V108 WeakPolarHBondContact O-CA 3.32Å; P6-V108 HydrophobicContact CG-CG1 4.23Å; V77-V108 HydrophobicContact CB-CG2 4.26Å; V77-V108 HydrophobicContact CG2-CG1 4.06Å; V77-V108 HydrophobicContact CG2-CG2 4.22Å; T78-V108 WeakPolarHBondContact O-CB 3.22Å; T78-V108 WeakPolarHBondContact O-CG1 3.42Å; T82-V108 PolarHBondContact OG1-N 2.86Å
109	S	87.5	Confident	90.6	Very high	49 Å²	49	74.8 Å²	74.8	34%	0.343	42%	0.42	S	S	.	.			trans	-140.9	149.4	178.2	71.1	0	0	0	0	111.2	L3 V4 P6	L3-S109 WeakPolarHBondContact CD1-OG 3.37Å; V4-S109 PolarHBondContact O-N 2.77Å; P6-S109 WeakPolarHBondContact CD-O 3.37Å
110	S	74.7	Confident	90.9	Very high	158 Å²	158	68.8 Å²	68.8	100%	1.105	41%	0.408	S	S	*	.			trans	-74.2	0	172.2	56.9	0	0	0	0	112.1

Retrieved 110 of 110 residues in 37.9 ms (Link to these results)

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