X5J596_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J596, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J596_MOUSE|X5J596
PGLVKPSQSLFLTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDRSGNYYFDYWGQGTTLTVSS
					

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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	58.4	Low	80.2	Confident	87 Å²	87	80.3 Å²	80.3	57%	0.565	46%	0.461	S	S	*	.				0	135.3	0	7.7	16.1	0	0	0	109.3	L12 T105 T106	P1-L12 HydrophobicContact CB-CD2 4.28Å; P1-L12 HydrophobicContact CG-CD2 4.07Å; P1-T105 WeakPolarHBondContact CD-OG1 3.33Å; P1-T105 HydrophobicContact CG-CG2 3.7Å; P1-T105 WeakPolarHBondContact CG-OG1 3.45Å; P1-T106 WeakPolarHBondContact CB-O 3.41Å; P1-T106 WeakPolarHBondContact CD-O 3.44Å; P1-T106 WeakPolarHBondContact CG-O 3.37Å; P1-T106 VanDerWaalsContact O-O 3.07Å
2	G	69.1	Low	81.4	Confident	48 Å²	48	74.2 Å²	74.2	50%	0.495	43%	0.425	S	S	.	.			trans	-114.3	-159.6	-171.7	0	0	0	0	0	111.5	V4	G2-V4 PolarHBondContact O-N 3.29Å
3	L	75.6	Confident	82.5	Confident	127 Å²	127	74.2 Å²	74.2	67%	0.665	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.4	175.1	-162.2	69.5	0	0	0	110.3	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.06Å; L3-T108 HydrophobicContact CD1-CG2 3.74Å; L3-S110 WeakPolarHBondContact CD1-OG 3.36Å
4	V	81.8	Confident	83.4	Confident	21 Å²	21	70 Å²	70	13%	0.127	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.3	175.6	-60.2	0	0	0	0	111.1	G2 L10 V78 L107 T108 V109 S110	G2-V4 PolarHBondContact O-N 3.29Å; V4-L10 HydrophobicContact CG1-CD1 4.4Å; V4-V78 HydrophobicContact CG2-CG2 4.02Å; V4-L107 HydrophobicContact CG1-CD1 4.25Å; V4-L107 HydrophobicContact CG2-CD1 3.74Å; V4-T108 PolarHBondContact N-O 3.24Å; V4-V109 HydrophobicContact CG2-CB 4.23Å; V4-V109 HydrophobicContact CG2-CG1 4.28Å; V4-V109 HydrophobicContact CG2-CG2 3.66Å; V4-V109 WeakPolarHBondContact O-CA 3.37Å; V4-S110 PolarHBondContact O-N 2.69Å
5	K	81.6	Confident	84.2	Confident	141 Å²	141	69.8 Å²	69.8	61%	0.613	41%	0.409	S	S	*	.			trans	-84.3	151.3	176.1	-69	-174	178.4	-175.2	0	110.4	Q8	K5-Q8 HydrophobicContact CB-CG 4.48Å
6	P	82.3	Confident	84.7	Confident	50 Å²	50	66.5 Å²	66.5	33%	0.325	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	156.2	173.7	-24.3	33.8	0	0	0	112.9	Q8 V78 V109 S110	P6-Q8 PolarHBondContact O-N 3Å; P6-V78 CarbonylContact C-O 3.54Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.42Å; P6-V109 HydrophobicContact CG-CG1 4.22Å; P6-S110 WeakPolarHBondContact CD-O 3.37Å
7	S	82.1	Confident	85.1	Confident	98 Å²	98	69.6 Å²	69.6	69%	0.685	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	6.3	178.7	-49.6	0	0	0	0	115.4	V78	S7-V78 PolarHBondContact N-O 2.85Å
8	Q	84.1	Confident	85.2	Confident	97 Å²	97	70.5 Å²	70.5	45%	0.453	44%	0.435	S	S	.	.			trans	-82.5	153.4	170.4	-66.5	-173.4	-29.9	0	0	110.9	K5 P6 S77 V78	K5-Q8 HydrophobicContact CB-CG 4.48Å; P6-Q8 PolarHBondContact O-N 3Å; Q8-S77 PolarHBondContact O-N 3.21Å; Q8-V78 WeakPolarHBondContact O-CG2 3.16Å; Q8-V78 PolarHBondContact O-N 3.09Å
9	S	87.3	Confident	85.4	Confident	66 Å²	66	69.1 Å²	69.1	46%	0.462	42%	0.422	S	S	.	.			trans	-94.9	137	167.9	-61	0	0	0	0	109.2	L75	S9-L75 VanDerWaalsContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å
10	L	88.6	Confident	85.8	Confident	34 Å²	34	69.3 Å²	69.3	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.5	-179.6	-176.4	72.4	0	0	0	110.4	V4 L12 Q74 L75 V78 L107	V4-L10 HydrophobicContact CG1-CD1 4.4Å; L10-L12 HydrophobicContact CD2-CD2 3.85Å; L10-L12 HydrophobicContact CD2-CG 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.39Å; L10-Q74 CarbonylContact O-C 3.46Å; L10-Q74 WeakPolarHBondContact O-CA 3.38Å; L10-L75 PolarHBondContact N-O 3.48Å; L10-L75 PolarHBondContact O-N 2.77Å; L10-V78 HydrophobicContact CB-CG1 4.41Å; L10-L107 HydrophobicContact CD2-CD1 3.36Å; L10-L107 HydrophobicContact CD2-CD2 3.6Å; L10-L107 HydrophobicContact CD2-CG 4.07Å
11	F	91.1	Very high	86.1	Confident	114 Å²	114	66 Å²	66	50%	0.5	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	171.1	-63.1	-91.7	0	0	0	109.7	L73 Q74	F11-L73 CarbonylContact C-O 3.46Å; F11-L73 WeakPolarHBondContact CA-O 3.21Å; F11-Q74 HydrophobicContact CD1-CB 3.78Å; F11-Q74 HydrophobicContact CD1-CG 3.96Å; F11-Q74 HydrophobicContact CE1-CB 3.61Å; F11-Q74 HydrophobicContact CE1-CG 3.44Å; F11-Q74 VanDerWaalsContact CE1-CG 3.44Å; F11-Q74 HydrophobicContact CE2-CG 4.46Å; F11-Q74 HydrophobicContact CZ-CB 4.4Å; F11-Q74 VanDerWaalsContact CZ-CD 3.42Å; F11-Q74 HydrophobicContact CZ-CG 3.73Å
12	L	94.3	Very high	87.8	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.037	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.7	167.1	-58.3	178	0	0	0	108.4	P1 L10 W29 F72 L73 L75 Y86 T105	P1-L12 HydrophobicContact CB-CD2 4.28Å; P1-L12 HydrophobicContact CG-CD2 4.07Å; L10-L12 HydrophobicContact CD2-CD2 3.85Å; L10-L12 HydrophobicContact CD2-CG 4.38Å; L10-L12 HydrophobicContact CG-CD2 4.39Å; L12-W29 HydrophobicContact CB-CH2 3.73Å; L12-W29 HydrophobicContact CB-CZ2 4.29Å; L12-W29 HydrophobicContact CB-CZ3 4.15Å; L12-W29 HydrophobicContact CD1-CZ3 4.41Å; L12-F72 CarbonylContact O-C 3.53Å; L12-F72 WeakPolarHBondContact O-CA 3.26Å; L12-L73 HydrophobicContact CB-CB 4.33Å; L12-L73 HydrophobicContact CD1-CD2 4.2Å; L12-L73 PolarHBondContact N-O 3Å; L12-L73 PolarHBondContact O-N 2.86Å; L12-L75 HydrophobicContact CD1-CD1 4.49Å; L12-Y86 HydrophobicContact CD1-CD1 3.59Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.25Å; L12-Y86 HydrophobicContact CD1-CG 3.45Å; L12-Y86 VanDerWaalsContact CD1-CG 3.45Å; L12-T105 HydrophobicContact CD1-CG2 4.39Å; L12-T105 HydrophobicContact CD2-CG2 4.05Å
13	T	95.7	Very high	88.7	Confident	75 Å²	75	65.1 Å²	65.1	46%	0.46	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	-178.5	-55.6	0	0	0	0	109.7	Q70 F72	T13-Q70 HydrophobicContact CG2-CB 4.27Å; T13-Q70 HydrophobicContact CG2-CG 3.99Å; T13-F72 HydrophobicContact CG2-CD1 3.86Å; T13-F72 HydrophobicContact CG2-CE1 3.46Å; T13-F72 VanDerWaalsContact CG2-CE1 3.46Å; T13-F72 HydrophobicContact CG2-CZ 4.26Å; T13-F72 VanDerWaalsContact OG1-CD1 3.25Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.2Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.47Å
14	C	95.7	Very high	89.3	Confident	15 Å²	15	60.2 Å²	60.2	10%	0.101	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	166.7	-173.8	0	0	0	0	109.4	W29 Q70 F71 C88	C14-W29 HydrophobicContact CB-CH2 4.04Å; C14-W29 HydrophobicContact CB-CZ2 3.95Å; C14-Q70 VanDerWaalsContact O-CA 3.31Å; C14-Q70 WeakPolarHBondContact O-CA 3.3Å; C14-F71 HydrophobicContact CB-CD1 3.84Å; C14-F71 HydrophobicContact CB-CE1 3.46Å; C14-F71 VanDerWaalsContact CB-CE1 3.46Å; C14-F71 HydrophobicContact CB-CE2 4.37Å; C14-F71 HydrophobicContact CB-CG 4.47Å; C14-F71 HydrophobicContact CB-CZ 3.78Å; C14-F71 PolarHBondContact N-O 2.8Å; C14-F71 PolarHBondContact O-N 2.99Å; C14-F71 WeakPolarHBondContact SG-CE1 3.4Å; C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.03Å
15	S	95.3	Very high	89.7	Confident	67 Å²	67	60.1 Å²	60.1	47%	0.469	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	177.7	-56.9	0	0	0	0	109.6	Q70	S15-Q70 WeakPolarHBondContact OG-CG 3.21Å; S15-Q70 PolarHBondContact OG-NE2 3.38Å
16	I	92.8	Very high	90.2	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.087	35%	0.35	C	S	.	.			trans	-94.8	136.6	178.1	-63.6	151.3	0	0	0	108.4	F19 I21 W27 N69 F71	I16-F19 HydrophobicContact CG2-CD2 4.28Å; I16-F19 HydrophobicContact CG2-CE2 4.04Å; I16-F19 HydrophobicContact CG2-CZ 4.2Å; I16-I21 HydrophobicContact CD1-CB 3.67Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.37Å; I16-W27 HydrophobicContact CB-CH2 4.35Å; I16-W27 HydrophobicContact CD1-CD2 3.62Å; I16-W27 VanDerWaalsContact CD1-CE2 3.47Å; I16-W27 HydrophobicContact CD1-CE3 3.76Å; I16-W27 HydrophobicContact CD1-CG 4.33Å; I16-W27 HydrophobicContact CD1-CH2 3.54Å; I16-W27 HydrophobicContact CD1-CZ2 3.44Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.44Å; I16-W27 HydrophobicContact CD1-CZ3 3.73Å; I16-W27 HydrophobicContact CG1-CD2 4.46Å; I16-W27 HydrophobicContact CG1-CE3 4.11Å; I16-W27 HydrophobicContact CG1-CH2 3.72Å; I16-W27 HydrophobicContact CG1-CZ2 4.15Å; I16-W27 HydrophobicContact CG1-CZ3 3.73Å; I16-W27 HydrophobicContact CG2-CH2 3.67Å; I16-W27 HydrophobicContact CG2-CZ2 4.19Å; I16-W27 HydrophobicContact CG2-CZ3 4.37Å; I16-N69 PolarHBondContact N-O 2.94Å; I16-N69 PolarHBondContact O-ND2 3.17Å; I16-F71 HydrophobicContact CD1-CD1 3.98Å; I16-F71 HydrophobicContact CD1-CE1 4.18Å; I16-F71 HydrophobicContact CG1-CD1 4.45Å; I16-F71 HydrophobicContact CG1-CE1 4.33Å
17	T	90.3	Very high	90.8	Very high	120 Å²	120	54.3 Å²	54.3	74%	0.736	34%	0.336	S	S	*	.			trans	-123.6	144.9	-179.9	55.6	0	0	0	0	110
18	G	88.1	Confident	91.4	Very high	85 Å²	85	50 Å²	50	88%	0.876	31%	0.305	S	S	*	.	S	Bend	trans	93.7	-20.6	175.4	0	0	0	0	0	115.3
19	F	89.5	Confident	92	Very high	44 Å²	44	45.6 Å²	45.6	19%	0.193	29%	0.285	C	S	.	.	S	Bend	trans	-160.6	162.1	176	54.5	-87.6	0	0	0	112.3	I16 Y25 W27 N69 Y100	I16-F19 HydrophobicContact CG2-CD2 4.28Å; I16-F19 HydrophobicContact CG2-CE2 4.04Å; I16-F19 HydrophobicContact CG2-CZ 4.2Å; F19-Y25 HydrophobicContact CD2-CD2 4.12Å; F19-Y25 AromaticContact CD2-CE2 3.78Å; F19-Y25 HydrophobicContact CD2-CE2 3.78Å; F19-Y25 AromaticContact CE2-CD2 3.41Å; F19-Y25 HydrophobicContact CE2-CD2 3.41Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.41Å; F19-Y25 AromaticContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CG 4.2Å; F19-Y25 AromaticContact CE2-CZ 3.83Å; F19-Y25 HydrophobicContact CZ-CD2 4.17Å; F19-Y25 HydrophobicContact CZ-CE1 4.37Å; F19-Y25 AromaticContact CZ-CE2 3.72Å; F19-Y25 HydrophobicContact CZ-CE2 3.72Å; F19-Y25 AromaticContact CZ-CZ 3.84Å; F19-W27 HydrophobicContact CD2-CH2 4.46Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 AromaticContact CE2-CZ2 3.7Å; F19-W27 HydrophobicContact CE2-CZ2 3.7Å; F19-W27 AromaticContact CZ-CH2 3.69Å; F19-W27 HydrophobicContact CZ-CH2 3.69Å; F19-W27 HydrophobicContact CZ-CZ2 4.46Å; F19-N69 PolarHBondContact O-ND2 2.86Å; F19-Y100 HydrophobicContact CE1-CD2 4.35Å; F19-Y100 HydrophobicContact CE1-CE1 4.33Å; F19-Y100 AromaticContact CE1-CE2 3.75Å; F19-Y100 HydrophobicContact CE1-CE2 3.75Å; F19-Y100 AromaticContact CE1-CZ 3.73Å; F19-Y100 AromaticContact CZ-CD2 3.93Å; F19-Y100 HydrophobicContact CZ-CD2 3.93Å; F19-Y100 AromaticContact CZ-CE2 3.58Å; F19-Y100 HydrophobicContact CZ-CE2 3.58Å
20	P	92.6	Very high	92.4	Very high	72 Å²	72	42.8 Å²	42.8	47%	0.468	26%	0.264	S	S	.	.			trans	-64.9	144.2	176.7	-22.3	32.8	0	0	0	113.7	T22 S23 N69	P20-T22 PolarHBondContact O-N 3.4Å; P20-S23 WeakPolarHBondContact CD-OG 3.33Å; P20-S23 WeakPolarHBondContact O-CB 3.41Å; P20-S23 PolarHBondContact O-N 2.85Å; P20-S23 PolarHBondContact O-OG 2.99Å; P20-N69 WeakPolarHBondContact CA-OD1 3.49Å
21	I	92.9	Very high	92.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	175.2	-171.7	168.7	0	0	0	112.6	I16 S23 W27 R64 T66 N69 Q70 F71	I16-I21 HydrophobicContact CD1-CB 3.67Å; I16-I21 HydrophobicContact CD1-CD1 3.65Å; I16-I21 HydrophobicContact CD1-CG1 3.37Å; I21-S23 VanDerWaalsContact C-N 3.29Å; I21-S23 PolarHBondContact O-N 2.73Å; I21-W27 HydrophobicContact CG1-CD2 4.47Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 HydrophobicContact CG1-CZ2 4.43Å; I21-W27 VanDerWaalsContact CG1-NE1 3.3Å; I21-W27 PolarHBondContact O-NE1 2.78Å; I21-R64 HydrophobicContact CD1-CB 3.93Å; I21-T66 HydrophobicContact CG2-CG2 3.97Å; I21-N69 WeakPolarHBondContact CB-OD1 3.44Å; I21-N69 PolarHBondContact N-OD1 2.9Å; I21-Q70 WeakPolarHBondContact CD1-O 3.39Å; I21-F71 HydrophobicContact CD1-CB 3.9Å; I21-F71 HydrophobicContact CD1-CD1 4.31Å
22	T	92.9	Very high	92.9	Very high	71 Å²	71	40.1 Å²	40.1	44%	0.436	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.8	176	52.6	0	0	0	0	113.7	P20 G24 T66	P20-T22 PolarHBondContact O-N 3.4Å; T22-G24 VanDerWaalsContact C-N 3.28Å; T22-G24 PolarHBondContact O-N 3.15Å; T22-T66 HydrophobicContact CG2-CG2 4.03Å
23	S	88	Confident	92.9	Very high	45 Å²	45	40.6 Å²	40.6	32%	0.315	26%	0.255	S	S	.	.	S	Bend	trans	-80.1	44.3	-169.8	-55.4	0	0	0	0	116.2	P20 I21 Y25	P20-S23 WeakPolarHBondContact CD-OG 3.33Å; P20-S23 WeakPolarHBondContact O-CB 3.41Å; P20-S23 PolarHBondContact O-N 2.85Å; P20-S23 PolarHBondContact O-OG 2.99Å; I21-S23 VanDerWaalsContact C-N 3.29Å; I21-S23 PolarHBondContact O-N 2.73Å; S23-Y25 VanDerWaalsContact C-N 3.29Å; S23-Y25 WeakPolarHBondContact O-CD2 3.37Å; S23-Y25 WeakPolarHBondContact O-CE2 3.45Å; S23-Y25 PolarHBondContact O-N 3.41Å
24	G	88.3	Confident	92.7	Very high	24 Å²	24	42.1 Å²	42.1	25%	0.247	27%	0.267	C	S	.	.	S	Bend	trans	71.9	18.1	173.4	0	0	0	0	0	115.5	T22 S93	T22-G24 VanDerWaalsContact C-N 3.28Å; T22-G24 PolarHBondContact O-N 3.15Å; G24-S93 PolarHBondContact O-N 3.24Å; G24-S93 VanDerWaalsContact O-N 3.13Å
25	Y	90.3	Very high	92.6	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.071	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	158.8	176.7	-67	-92.5	0	0	0	112.3	F19 S23 W27 H46 D91 R92 D99 Y100	F19-Y25 HydrophobicContact CD2-CD2 4.12Å; F19-Y25 AromaticContact CD2-CE2 3.78Å; F19-Y25 HydrophobicContact CD2-CE2 3.78Å; F19-Y25 AromaticContact CE2-CD2 3.41Å; F19-Y25 HydrophobicContact CE2-CD2 3.41Å; F19-Y25 VanDerWaalsContact CE2-CD2 3.41Å; F19-Y25 AromaticContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CE2 3.2Å; F19-Y25 HydrophobicContact CE2-CG 4.2Å; F19-Y25 AromaticContact CE2-CZ 3.83Å; F19-Y25 HydrophobicContact CZ-CD2 4.17Å; F19-Y25 HydrophobicContact CZ-CE1 4.37Å; F19-Y25 AromaticContact CZ-CE2 3.72Å; F19-Y25 HydrophobicContact CZ-CE2 3.72Å; F19-Y25 AromaticContact CZ-CZ 3.84Å; S23-Y25 VanDerWaalsContact C-N 3.29Å; S23-Y25 WeakPolarHBondContact O-CD2 3.37Å; S23-Y25 WeakPolarHBondContact O-CE2 3.45Å; S23-Y25 PolarHBondContact O-N 3.41Å; Y25-W27 HydrophobicContact CD2-CH2 4.32Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 AromaticContact CG-CZ2 3.97Å; Y25-W27 HydrophobicContact CG-CZ2 3.97Å; Y25-H46 WeakPolarHBondContact O-CB 3.45Å; Y25-H46 PolarHBondContact O-N 3.27Å; Y25-D91 CarbonylContact C-O 3.48Å; Y25-D91 VanDerWaalsContact CA-O 3.26Å; Y25-D91 WeakPolarHBondContact CA-O 3.31Å; Y25-R92 HydrophobicContact CD1-CB 3.81Å; Y25-R92 HydrophobicContact CD1-CG 4.41Å; Y25-R92 HydrophobicContact CE1-CB 3.58Å; Y25-R92 HydrophobicContact CE1-CG 4.09Å; Y25-D99 HydrophobicContact CE1-CB 4.41Å; Y25-Y100 HydrophobicContact CE1-CD2 4.08Å; Y25-Y100 AromaticContact CE1-CE2 3.7Å; Y25-Y100 HydrophobicContact CE1-CE2 3.7Å; Y25-Y100 AromaticContact CZ-CE2 3.88Å
26	Y	92.6	Very high	92.5	Very high	63 Å²	63	49.1 Å²	49.1	25%	0.247	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.5	159.3	-56.2	-76.4	0	0	0	108.2	Y43 T45 G90 D91 S93	Y26-Y43 AromaticContact CD1-CD2 3.89Å; Y26-Y43 HydrophobicContact CD1-CD2 3.89Å; Y26-Y43 AromaticContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CE1-CE2 4.22Å; Y26-Y43 HydrophobicContact CG-CD2 4.48Å; Y26-T45 HydrophobicContact CD1-CG2 3.74Å; Y26-T45 HydrophobicContact CE1-CG2 3.7Å; Y26-G90 WeakPolarHBondContact O-CA 3.46Å; Y26-D91 PolarHBondContact N-O 2.94Å; Y26-D91 PolarHBondContact O-N 2.79Å; Y26-S93 PolarHBondContact OH-OG 3.15Å
27	W	94.6	Very high	92.6	Very high	6 Å²	6	53.4 Å²	53.4	2%	0.023	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.7	-178.5	-59.1	109.9	0	0	0	109.8	I16 F19 I21 Y25 Y43 I44 F71	I16-W27 HydrophobicContact CB-CH2 4.35Å; I16-W27 HydrophobicContact CD1-CD2 3.62Å; I16-W27 VanDerWaalsContact CD1-CE2 3.47Å; I16-W27 HydrophobicContact CD1-CE3 3.76Å; I16-W27 HydrophobicContact CD1-CG 4.33Å; I16-W27 HydrophobicContact CD1-CH2 3.54Å; I16-W27 HydrophobicContact CD1-CZ2 3.44Å; I16-W27 VanDerWaalsContact CD1-CZ2 3.44Å; I16-W27 HydrophobicContact CD1-CZ3 3.73Å; I16-W27 HydrophobicContact CG1-CD2 4.46Å; I16-W27 HydrophobicContact CG1-CE3 4.11Å; I16-W27 HydrophobicContact CG1-CH2 3.72Å; I16-W27 HydrophobicContact CG1-CZ2 4.15Å; I16-W27 HydrophobicContact CG1-CZ3 3.73Å; I16-W27 HydrophobicContact CG2-CH2 3.67Å; I16-W27 HydrophobicContact CG2-CZ2 4.19Å; I16-W27 HydrophobicContact CG2-CZ3 4.37Å; F19-W27 HydrophobicContact CD2-CH2 4.46Å; F19-W27 AromaticContact CE2-CH2 3.36Å; F19-W27 HydrophobicContact CE2-CH2 3.36Å; F19-W27 AromaticContact CE2-CZ2 3.7Å; F19-W27 HydrophobicContact CE2-CZ2 3.7Å; F19-W27 AromaticContact CZ-CH2 3.69Å; F19-W27 HydrophobicContact CZ-CH2 3.69Å; F19-W27 HydrophobicContact CZ-CZ2 4.46Å; I21-W27 HydrophobicContact CG1-CD2 4.47Å; I21-W27 HydrophobicContact CG1-CG 4.32Å; I21-W27 HydrophobicContact CG1-CZ2 4.43Å; I21-W27 VanDerWaalsContact CG1-NE1 3.3Å; I21-W27 PolarHBondContact O-NE1 2.78Å; Y25-W27 HydrophobicContact CD2-CH2 4.32Å; Y25-W27 HydrophobicContact CD2-CZ2 4.04Å; Y25-W27 HydrophobicContact CG-CH2 4.12Å; Y25-W27 AromaticContact CG-CZ2 3.97Å; Y25-W27 HydrophobicContact CG-CZ2 3.97Å; W27-Y43 CarbonylContact O-C 3.55Å; W27-Y43 WeakPolarHBondContact O-CA 3.33Å; W27-Y43 VanDerWaalsContact O-CB 3.31Å; W27-Y43 WeakPolarHBondContact O-CB 3.44Å; W27-I44 HydrophobicContact CB-CG2 3.84Å; W27-I44 PolarHBondContact N-O 3.33Å; W27-I44 PolarHBondContact O-N 3.47Å; W27-F71 HydrophobicContact CB-CD1 4.07Å; W27-F71 HydrophobicContact CB-CD2 3.98Å; W27-F71 HydrophobicContact CB-CE1 3.87Å; W27-F71 HydrophobicContact CB-CE2 3.81Å; W27-F71 HydrophobicContact CB-CG 4.1Å; W27-F71 HydrophobicContact CB-CZ 3.71Å; W27-F71 HydrophobicContact CD2-CE1 4.32Å; W27-F71 HydrophobicContact CE3-CE1 4.06Å; W27-F71 HydrophobicContact CE3-CZ 4.46Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.28Å
28	I	95	Very high	92.8	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.046	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.9	-156.8	-59.6	162.5	0	0	0	108.9	I30 W40 Y43 C88 A89 D91 F98	I28-I30 HydrophobicContact CG2-CD1 4.28Å; I28-I30 HydrophobicContact CG2-CG1 3.92Å; I28-W40 VanDerWaalsContact CG2-CD1 3.47Å; I28-Y43 HydrophobicContact CG1-CG 4.46Å; I28-C88 CarbonylContact O-C 3.6Å; I28-C88 VanDerWaalsContact O-CA 3.3Å; I28-C88 WeakPolarHBondContact O-CA 3.4Å; I28-A89 HydrophobicContact CB-CB 4.44Å; I28-A89 PolarHBondContact N-O 2.82Å; I28-A89 PolarHBondContact O-N 2.74Å; I28-D91 HydrophobicContact CD1-CB 3.63Å; I28-F98 HydrophobicContact CB-CE1 4.35Å; I28-F98 HydrophobicContact CD1-CD1 3.85Å; I28-F98 HydrophobicContact CD1-CE1 3.39Å; I28-F98 HydrophobicContact CG1-CE1 4.4Å; I28-F98 HydrophobicContact CG2-CE1 4.15Å
29	W	96.2	Very high	93	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.8	170.1	-78.8	104.9	0	0	0	110.3	L12 C14 M41 G42 F71 L73 Y87 C88	L12-W29 HydrophobicContact CB-CH2 3.73Å; L12-W29 HydrophobicContact CB-CZ2 4.29Å; L12-W29 HydrophobicContact CB-CZ3 4.15Å; L12-W29 HydrophobicContact CD1-CZ3 4.41Å; C14-W29 HydrophobicContact CB-CH2 4.04Å; C14-W29 HydrophobicContact CB-CZ2 3.95Å; W29-M41 HydrophobicContact CB-CB 4.28Å; W29-M41 WeakPolarHBondContact O-CB 3.45Å; W29-M41 PolarHBondContact O-N 3.32Å; W29-G42 PolarHBondContact N-O 3.17Å; W29-F71 AromaticContact CD1-CD2 3.89Å; W29-F71 AromaticContact CD1-CE2 3.66Å; W29-F71 HydrophobicContact CD2-CE2 4.3Å; W29-F71 AromaticContact CE2-CD2 3.93Å; W29-F71 AromaticContact CE2-CE2 3.68Å; W29-F71 HydrophobicContact CG-CE2 4.29Å; W29-F71 HydrophobicContact CZ2-CD2 4.37Å; W29-F71 HydrophobicContact CZ2-CE2 4.23Å; W29-F71 AromaticContact NE1-CD2 3.22Å; W29-F71 AromaticContact NE1-CE2 3.24Å; W29-L73 HydrophobicContact CB-CD2 4.15Å; W29-L73 HydrophobicContact CD2-CB 3.64Å; W29-L73 HydrophobicContact CD2-CD2 3.88Å; W29-L73 HydrophobicContact CD2-CG 4.36Å; W29-L73 VanDerWaalsContact CE2-CB 3.41Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 3.99Å; W29-L73 HydrophobicContact CG-CB 3.86Å; W29-L73 HydrophobicContact CG-CD2 3.96Å; W29-L73 HydrophobicContact CG-CG 4.35Å; W29-L73 HydrophobicContact CH2-CB 4.49Å; W29-L73 HydrophobicContact CZ2-CB 3.88Å; W29-Y87 VanDerWaalsContact CE3-O 3.28Å; W29-C88 HydrophobicContact CE3-CB 4.28Å; W29-C88 HydrophobicContact CH2-CB 4.22Å; W29-C88 HydrophobicContact CZ2-CB 4.49Å; W29-C88 HydrophobicContact CZ3-CB 4.11Å
30	I	95.4	Very high	93.2	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.8	-177.6	-54	173	0	0	0	107	I28 L38 E39 Y86 Y87 A89 F98 W101	I28-I30 HydrophobicContact CG2-CD1 4.28Å; I28-I30 HydrophobicContact CG2-CG1 3.92Å; I30-L38 HydrophobicContact CG2-CB 3.89Å; I30-L38 HydrophobicContact CG2-CD2 3.69Å; I30-L38 HydrophobicContact CG2-CG 4.33Å; I30-E39 WeakPolarHBondContact CA-O 3.48Å; I30-E39 WeakPolarHBondContact CG2-O 3.4Å; I30-Y86 CarbonylContact O-C 3.55Å; I30-Y86 WeakPolarHBondContact O-CA 3.3Å; I30-Y87 PolarHBondContact N-O 2.97Å; I30-Y87 PolarHBondContact O-N 3.32Å; I30-A89 HydrophobicContact CD1-CB 4.19Å; I30-F98 HydrophobicContact CD1-CE1 4.25Å; I30-F98 HydrophobicContact CD1-CZ 4.1Å; I30-W101 HydrophobicContact CD1-CH2 3.35Å; I30-W101 HydrophobicContact CD1-CZ2 3.95Å; I30-W101 HydrophobicContact CD1-CZ3 3.8Å
31	R	94.8	Very high	93.3	Very high	22 Å²	22	49.4 Å²	49.4	8%	0.083	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.3	171.1	68.5	177.3	-176.6	-177.1	0	111.4	E39 M41 D82 A84 M85 Y86	R31-E39 HydrophobicContact CG-CB 4.17Å; R31-E39 IonicContact CZ-OE2 3.33Å; R31-E39 VanDerWaalsContact CZ-OE2 3.23Å; R31-E39 PolarHBondContact N-O 2.76Å; R31-E39 IonicContact NE-OE2 2.84Å; R31-E39 PolarHBondContact NE-OE2 2.94Å; R31-E39 IonicContact NH2-OE1 3.23Å; R31-E39 PolarHBondContact NH2-OE1 2.9Å; R31-E39 IonicContact NH2-OE2 2.77Å; R31-E39 PolarHBondContact NH2-OE2 3.12Å; R31-E39 PolarHBondContact O-N 2.83Å; R31-M41 HydrophobicContact CB-CG 4.27Å; R31-M41 HydrophobicContact CB-SD 3.67Å; R31-M41 HydrophobicContact CG-CG 3.88Å; R31-M41 HydrophobicContact CG-SD 3.73Å; R31-D82 IonicContact NH1-OD1 2.85Å; R31-D82 PolarHBondContact NH1-OD1 2.92Å; R31-A84 HydrophobicContact CB-CB 4.18Å; R31-M85 CarbonylContact C-O 3.42Å; R31-M85 VanDerWaalsContact CA-O 3.28Å; R31-M85 WeakPolarHBondContact CA-O 3.31Å; R31-Y86 HydrophobicContact CB-CD1 3.92Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å; R31-Y86 HydrophobicContact CB-CG 4.4Å
32	Q	95.3	Very high	93.4	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	104	174.4	-169.5	-179.9	21	0	0	109.1	K36 L38 A84 M85 Y87	Q32-K36 WeakPolarHBondContact CG-O 3.42Å; Q32-L38 HydrophobicContact CB-CD2 3.9Å; Q32-L38 HydrophobicContact CG-CD2 4.32Å; Q32-A84 WeakPolarHBondContact O-CA 3.43Å; Q32-A84 WeakPolarHBondContact O-CB 3.28Å; Q32-M85 HydrophobicContact CB-CB 4.48Å; Q32-M85 PolarHBondContact N-O 3.14Å; Q32-M85 PolarHBondContact O-N 2.94Å; Q32-Y87 HydrophobicContact CB-CE2 3.87Å; Q32-Y87 PolarHBondContact OE1-OH 3.48Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.09Å
33	S	93.8	Very high	93.5	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	27%	0.274	C	S	.	.			trans	-70	152.9	171.2	-51.3	0	0	0	0	110.3	G35 K36	S33-G35 PolarHBondContact O-N 3.24Å; S33-K36 PolarHBondContact O-N 3.01Å
34	P	92.9	Very high	93.9	Very high	107 Å²	107	46.7 Å²	46.7	70%	0.695	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	125.3	176.5	-26.5	34.8	0	0	0	112.1	K36 T83	P34-K36 PolarHBondContact O-N 2.98Å; P34-T83 WeakPolarHBondContact CD-O 3.26Å
35	G	93.5	Very high	94.1	Very high	92 Å²	92	45.8 Å²	45.8	95%	0.948	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	6.1	179.9	0	0	0	0	0	115.8	S33	S33-G35 PolarHBondContact O-N 3.24Å
36	K	93.3	Very high	94.2	Very high	136 Å²	136	48.2 Å²	48.2	59%	0.591	26%	0.262	S	S	*	.	S	Bend	trans	-109	156.8	177.4	-66	-165.3	-176.8	175.6	0	111.9	Q32 S33 P34	Q32-K36 WeakPolarHBondContact CG-O 3.42Å; S33-K36 PolarHBondContact O-N 3.01Å; P34-K36 PolarHBondContact O-N 2.98Å
37	P	93.9	Very high	94.1	Very high	107 Å²	107	48.4 Å²	48.4	70%	0.695	27%	0.272	S	S	*	.			trans	-65.4	170.6	170.8	29.8	-36.4	0	0	0	111.5	E39	P37-E39 PolarHBondContact O-N 2.9Å
38	L	94	Very high	94.1	Very high	89 Å²	89	49.5 Å²	49.5	47%	0.466	29%	0.286	S	S	.	.			trans	-63.4	131.7	170.9	-70.4	163.4	0	0	0	110.2	I30 Q32 Y87 W101	I30-L38 HydrophobicContact CG2-CB 3.89Å; I30-L38 HydrophobicContact CG2-CD2 3.69Å; I30-L38 HydrophobicContact CG2-CG 4.33Å; Q32-L38 HydrophobicContact CB-CD2 3.9Å; Q32-L38 HydrophobicContact CG-CD2 4.32Å; L38-Y87 HydrophobicContact CD2-CD2 3.95Å; L38-Y87 HydrophobicContact CD2-CE2 3.83Å; L38-W101 HydrophobicContact CD1-CH2 3.98Å; L38-W101 HydrophobicContact CD1-CZ3 4.42Å
39	E	93.9	Very high	94	Very high	56 Å²	56	54.7 Å²	54.7	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.7	177.7	-174.4	-177.4	-166.4	0	0	109	I30 R31 P37 M41	I30-E39 WeakPolarHBondContact CA-O 3.48Å; I30-E39 WeakPolarHBondContact CG2-O 3.4Å; R31-E39 HydrophobicContact CG-CB 4.17Å; R31-E39 IonicContact CZ-OE2 3.33Å; R31-E39 VanDerWaalsContact CZ-OE2 3.23Å; R31-E39 PolarHBondContact N-O 2.76Å; R31-E39 IonicContact NE-OE2 2.84Å; R31-E39 PolarHBondContact NE-OE2 2.94Å; R31-E39 IonicContact NH2-OE1 3.23Å; R31-E39 PolarHBondContact NH2-OE1 2.9Å; R31-E39 IonicContact NH2-OE2 2.77Å; R31-E39 PolarHBondContact NH2-OE2 3.12Å; R31-E39 PolarHBondContact O-N 2.83Å; P37-E39 PolarHBondContact O-N 2.9Å; E39-M41 PolarHBondContact O-N 3.02Å
40	W	93.4	Very high	94	Very high	92 Å²	92	57.1 Å²	57.1	35%	0.348	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.5	171.8	168.5	69.8	0	0	0	109.9	I28 G42 Y43 N53	I28-W40 VanDerWaalsContact CG2-CD1 3.47Å; W40-G42 PolarHBondContact NE1-O 3.49Å; W40-Y43 AromaticContact CZ2-CD1 3.65Å; W40-Y43 HydrophobicContact CZ2-CD1 3.65Å; W40-Y43 AromaticContact CZ2-CE1 4Å; W40-Y43 HydrophobicContact CZ2-CE1 4Å; W40-Y43 AromaticContact NE1-CD1 3.93Å; W40-N53 HydrophobicContact CD2-CB 4.22Å; W40-N53 HydrophobicContact CE3-CB 3.44Å; W40-N53 VanDerWaalsContact CE3-CB 3.44Å; W40-N53 HydrophobicContact CH2-CB 4.08Å; W40-N53 HydrophobicContact CZ3-CB 3.37Å; W40-N53 WeakPolarHBondContact O-CB 3.43Å; W40-N53 PolarHBondContact O-ND2 2.04Å
41	M	94.8	Very high	94	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-38.7	-178.1	-60.1	-172.7	71.5	0	0	112.5	W29 R31 E39 N53 L56 I60 L73 L75 Y86	W29-M41 HydrophobicContact CB-CB 4.28Å; W29-M41 WeakPolarHBondContact O-CB 3.45Å; W29-M41 PolarHBondContact O-N 3.32Å; R31-M41 HydrophobicContact CB-CG 4.27Å; R31-M41 HydrophobicContact CB-SD 3.67Å; R31-M41 HydrophobicContact CG-CG 3.88Å; R31-M41 HydrophobicContact CG-SD 3.73Å; E39-M41 PolarHBondContact O-N 3.02Å; M41-N53 WeakPolarHBondContact O-CB 3.48Å; M41-N53 PolarHBondContact O-N 2.79Å; M41-L56 HydrophobicContact CB-CD1 3.97Å; M41-L56 HydrophobicContact CE-CD1 4.45Å; M41-L56 HydrophobicContact CE-CD2 4.22Å; M41-L56 HydrophobicContact CG-CD2 4.28Å; M41-L56 WeakPolarHBondContact O-CD1 3.48Å; M41-I60 HydrophobicContact CB-CD1 4.03Å; M41-I60 HydrophobicContact CE-CD1 4.23Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; M41-L73 HydrophobicContact CE-CD2 4.12Å; M41-L73 HydrophobicContact SD-CD2 3.89Å; M41-L75 HydrophobicContact CE-CD2 4Å; M41-Y86 HydrophobicContact CE-CE1 3.97Å; M41-Y86 HydrophobicContact SD-CD1 3.86Å; M41-Y86 HydrophobicContact SD-CE1 3.64Å
42	G	95.1	Very high	93.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	175	-173.8	0	0	0	0	0	111.1	W29 W40 F51 I62	W29-G42 PolarHBondContact N-O 3.17Å; W40-G42 PolarHBondContact NE1-O 3.49Å; G42-F51 CarbonylContact C-O 3.59Å; G42-F51 WeakPolarHBondContact CA-O 3.34Å; G42-I62 VanDerWaalsContact C-CD1 3.46Å
43	Y	94.8	Very high	93.8	Very high	56 Å²	56	62.8 Å²	62.8	22%	0.22	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.5	174.5	68.4	-100.2	0	0	0	112.5	Y26 W27 I28 W40 T45 T50 F51	Y26-Y43 AromaticContact CD1-CD2 3.89Å; Y26-Y43 HydrophobicContact CD1-CD2 3.89Å; Y26-Y43 AromaticContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CD1-CE2 3.7Å; Y26-Y43 HydrophobicContact CE1-CE2 4.22Å; Y26-Y43 HydrophobicContact CG-CD2 4.48Å; W27-Y43 CarbonylContact O-C 3.55Å; W27-Y43 WeakPolarHBondContact O-CA 3.33Å; W27-Y43 VanDerWaalsContact O-CB 3.31Å; W27-Y43 WeakPolarHBondContact O-CB 3.44Å; I28-Y43 HydrophobicContact CG1-CG 4.46Å; W40-Y43 AromaticContact CZ2-CD1 3.65Å; W40-Y43 HydrophobicContact CZ2-CD1 3.65Å; W40-Y43 AromaticContact CZ2-CE1 4Å; W40-Y43 HydrophobicContact CZ2-CE1 4Å; W40-Y43 AromaticContact NE1-CD1 3.93Å; Y43-T45 HydrophobicContact CD2-CG2 4.25Å; Y43-T45 HydrophobicContact CE2-CG2 3.82Å; Y43-T50 WeakPolarHBondContact O-CA 3.38Å; Y43-F51 HydrophobicContact CD1-CB 4.07Å; Y43-F51 HydrophobicContact CD2-CB 4.43Å; Y43-F51 HydrophobicContact CD2-CD2 4.29Å; Y43-F51 HydrophobicContact CE1-CB 3.59Å; Y43-F51 HydrophobicContact CE1-CD2 4.36Å; Y43-F51 HydrophobicContact CE1-CG 4.13Å; Y43-F51 HydrophobicContact CE2-CB 3.99Å; Y43-F51 AromaticContact CE2-CD2 3.39Å; Y43-F51 HydrophobicContact CE2-CD2 3.39Å; Y43-F51 HydrophobicContact CE2-CE2 4.19Å; Y43-F51 AromaticContact CE2-CG 3.98Å; Y43-F51 HydrophobicContact CE2-CG 3.98Å; Y43-F51 HydrophobicContact CG-CB 4.45Å; Y43-F51 AromaticContact CZ-CD2 3.43Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.43Å; Y43-F51 AromaticContact CZ-CG 3.59Å; Y43-F51 PolarHBondContact N-O 2.9Å; Y43-F51 PolarHBondContact O-N 2.88Å; Y43-F51 VanDerWaalsContact OH-CD2 3.26Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.29Å; Y43-F51 WeakPolarHBondContact OH-CG 3.44Å
44	I	95.8	Very high	93.6	Very high	6 Å²	6	67.9 Å²	67.9	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.4	168.3	-170.6	164.1	0	0	0	109.9	W27 E49 T50 I62 R64 F71	W27-I44 HydrophobicContact CB-CG2 3.84Å; W27-I44 PolarHBondContact N-O 3.33Å; W27-I44 PolarHBondContact O-N 3.47Å; I44-E49 CarbonylContact C-O 3.48Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.44Å; I44-T50 HydrophobicContact CB-CG2 4.03Å; I44-T50 HydrophobicContact CD1-CG2 3.77Å; I44-T50 HydrophobicContact CG1-CG2 3.8Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.8Å; I44-R64 HydrophobicContact CD1-CB 3.99Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; I44-F71 HydrophobicContact CG2-CB 4.33Å; I44-F71 HydrophobicContact CG2-CD2 4.32Å
45	T	93.7	Very high	93.3	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.025	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	164.6	179.6	71.5	0	0	0	0	111.1	Y26 Y43 S47 G48 E49 R64	Y26-T45 HydrophobicContact CD1-CG2 3.74Å; Y26-T45 HydrophobicContact CE1-CG2 3.7Å; Y43-T45 HydrophobicContact CD2-CG2 4.25Å; Y43-T45 HydrophobicContact CE2-CG2 3.82Å; T45-S47 PolarHBondContact O-N 2.76Å; T45-S47 PolarHBondContact OG1-N 3.4Å; T45-S47 VanDerWaalsContact OG1-N 3.15Å; T45-S47 PolarHBondContact OG1-OG 3.17Å; T45-G48 PolarHBondContact O-N 2.81Å; T45-G48 PolarHBondContact OG1-N 3.23Å; T45-E49 HydrophobicContact CG2-CB 3.89Å; T45-E49 PolarHBondContact N-O 3.16Å; T45-E49 PolarHBondContact OG1-N 2.9Å; T45-R64 PolarHBondContact O-NH1 2.87Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å
46	H	90.6	Very high	92.9	Very high	69 Å²	69	63.8 Å²	63.8	32%	0.319	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.2	167.3	70.7	-83.2	0	0	0	113.8	Y25 R64	Y25-H46 WeakPolarHBondContact O-CB 3.45Å; Y25-H46 PolarHBondContact O-N 3.27Å; H46-R64 PolarHBondContact O-NH1 2.83Å; H46-R64 PolarHBondContact O-NH2 2.88Å
47	S	92.2	Very high	92	Very high	67 Å²	67	65.1 Å²	65.1	47%	0.469	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17	170.5	55.9	0	0	0	0	112.8	T45 E49 R64	T45-S47 PolarHBondContact O-N 2.76Å; T45-S47 PolarHBondContact OG1-N 3.4Å; T45-S47 VanDerWaalsContact OG1-N 3.15Å; T45-S47 PolarHBondContact OG1-OG 3.17Å; S47-E49 PolarHBondContact OG-OE2 3.18Å; S47-R64 PolarHBondContact O-NH2 2.92Å
48	G	93.1	Very high	91.2	Very high	30 Å²	30	60.9 Å²	60.9	31%	0.309	32%	0.32	S	S	.	.			trans	100.2	7	177.5	0	0	0	0	0	114.2	T45 R64	T45-G48 PolarHBondContact O-N 2.81Å; T45-G48 PolarHBondContact OG1-N 3.23Å; G48-R64 VanDerWaalsContact CA-CZ 3.42Å
49	E	94.3	Very high	90.8	Very high	118 Å²	118	60.7 Å²	60.7	55%	0.551	32%	0.324	S	S	*	.			trans	-72.3	140.9	173.4	-63	171.8	146.7	0	0	109.7	I44 T45 S47 F51	I44-E49 CarbonylContact C-O 3.48Å; I44-E49 VanDerWaalsContact CA-O 3.28Å; I44-E49 WeakPolarHBondContact CA-O 3.44Å; T45-E49 HydrophobicContact CG2-CB 3.89Å; T45-E49 PolarHBondContact N-O 3.16Å; T45-E49 PolarHBondContact OG1-N 2.9Å; S47-E49 PolarHBondContact OG-OE2 3.18Å; E49-F51 HydrophobicContact CB-CE2 4.15Å
50	T	95.8	Very high	90.7	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.331	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.1	-178.5	51.8	0	0	0	0	110.9	Y43 I44 I62	Y43-T50 WeakPolarHBondContact O-CA 3.38Å; I44-T50 HydrophobicContact CB-CG2 4.03Å; I44-T50 HydrophobicContact CD1-CG2 3.77Å; I44-T50 HydrophobicContact CG1-CG2 3.8Å; T50-I62 HydrophobicContact CG2-CB 4.44Å; T50-I62 WeakPolarHBondContact CG2-O 3.36Å
51	F	94.5	Very high	90.8	Very high	99 Å²	99	56.3 Å²	56.3	43%	0.434	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.7	175.1	-71.6	-93.9	0	0	0	109.1	G42 Y43 E49	G42-F51 CarbonylContact C-O 3.59Å; G42-F51 WeakPolarHBondContact CA-O 3.34Å; Y43-F51 HydrophobicContact CD1-CB 4.07Å; Y43-F51 HydrophobicContact CD2-CB 4.43Å; Y43-F51 HydrophobicContact CD2-CD2 4.29Å; Y43-F51 HydrophobicContact CE1-CB 3.59Å; Y43-F51 HydrophobicContact CE1-CD2 4.36Å; Y43-F51 HydrophobicContact CE1-CG 4.13Å; Y43-F51 HydrophobicContact CE2-CB 3.99Å; Y43-F51 AromaticContact CE2-CD2 3.39Å; Y43-F51 HydrophobicContact CE2-CD2 3.39Å; Y43-F51 HydrophobicContact CE2-CE2 4.19Å; Y43-F51 AromaticContact CE2-CG 3.98Å; Y43-F51 HydrophobicContact CE2-CG 3.98Å; Y43-F51 HydrophobicContact CG-CB 4.45Å; Y43-F51 AromaticContact CZ-CD2 3.43Å; Y43-F51 VanDerWaalsContact CZ-CD2 3.43Å; Y43-F51 AromaticContact CZ-CG 3.59Å; Y43-F51 PolarHBondContact N-O 2.9Å; Y43-F51 PolarHBondContact O-N 2.88Å; Y43-F51 VanDerWaalsContact OH-CD2 3.26Å; Y43-F51 WeakPolarHBondContact OH-CD2 3.29Å; Y43-F51 WeakPolarHBondContact OH-CG 3.44Å; E49-F51 HydrophobicContact CB-CE2 4.15Å
52	Y	94.4	Very high	90.9	Very high	92 Å²	92	56.5 Å²	56.5	36%	0.361	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148	-174.5	-59.7	-80.4	0	0	0	110.2	P54 I60 I62	Y52-P54 WeakPolarHBondContact O-CD 2.75Å; Y52-I60 HydrophobicContact CD1-CD1 3.87Å; Y52-I60 HydrophobicContact CD1-CG1 3.72Å; Y52-I60 HydrophobicContact CE1-CD1 4.32Å; Y52-I60 HydrophobicContact CE1-CG1 4Å; Y52-I62 HydrophobicContact CD1-CD1 4.42Å; Y52-I62 HydrophobicContact CE1-CB 4.37Å; Y52-I62 HydrophobicContact CE1-CD1 4.18Å; Y52-I62 HydrophobicContact CE1-CG1 4.02Å; Y52-I62 PolarHBondContact OH-N 2.96Å
53	N	93	Very high	90.9	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.144	33%	0.33	C	S	.	.			trans	-72.9	119.3	171.5	-176	-13.5	0	0	0	109.9	W40 M41 S55 L56	W40-N53 HydrophobicContact CD2-CB 4.22Å; W40-N53 HydrophobicContact CE3-CB 3.44Å; W40-N53 VanDerWaalsContact CE3-CB 3.44Å; W40-N53 HydrophobicContact CH2-CB 4.08Å; W40-N53 HydrophobicContact CZ3-CB 3.37Å; W40-N53 WeakPolarHBondContact O-CB 3.43Å; W40-N53 PolarHBondContact O-ND2 2.04Å; M41-N53 WeakPolarHBondContact O-CB 3.48Å; M41-N53 PolarHBondContact O-N 2.79Å; N53-S55 PolarHBondContact O-N 3.4Å; N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 3.46Å; N53-L56 HydrophobicContact CB-CD1 4.15Å; N53-L56 HydrophobicContact CB-CG 4.01Å; N53-L56 WeakPolarHBondContact O-CB 2.82Å; N53-L56 PolarHBondContact O-N 3.3Å
54	P	89.4	Confident	90.9	Very high	124 Å²	124	60 Å²	60	81%	0.805	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.3	-179.5	28.3	-36.3	0	0	0	113.5	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 2.75Å; P54-L56 VanDerWaalsContact C-N 3.31Å
55	S	86.8	Confident	90.9	Very high	87 Å²	87	62.5 Å²	62.5	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.8	177.8	-57.5	0	0	0	0	113.8	N53 Q57	N53-S55 PolarHBondContact O-N 3.4Å; N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 3.46Å; S55-Q57 PolarHBondContact O-N 3.23Å
56	L	85.1	Confident	90.9	Very high	26 Å²	26	66.2 Å²	66.2	14%	0.136	37%	0.366	C	S	.	.			trans	-69.2	126.9	175.4	-74.4	172.7	0	0	0	110.8	M41 N53 P54 I60	M41-L56 HydrophobicContact CB-CD1 3.97Å; M41-L56 HydrophobicContact CE-CD1 4.45Å; M41-L56 HydrophobicContact CE-CD2 4.22Å; M41-L56 HydrophobicContact CG-CD2 4.28Å; M41-L56 WeakPolarHBondContact O-CD1 3.48Å; N53-L56 HydrophobicContact CB-CD1 4.15Å; N53-L56 HydrophobicContact CB-CG 4.01Å; N53-L56 WeakPolarHBondContact O-CB 2.82Å; N53-L56 PolarHBondContact O-N 3.3Å; P54-L56 VanDerWaalsContact C-N 3.31Å; L56-I60 HydrophobicContact CD1-CD1 3.44Å; L56-I60 VanDerWaalsContact CD1-CD1 3.44Å; L56-I60 HydrophobicContact CD1-CG1 3.99Å
57	Q	73.1	Confident	91	Very high	164 Å²	164	67.7 Å²	67.7	77%	0.766	39%	0.385	S	S	*	.			trans	-81.2	-29.5	175.5	-60.8	-176.3	24.5	0	0	112.1	S55	S55-Q57 PolarHBondContact O-N 3.23Å
58	S	76.5	Confident	91.2	Very high	18 Å²	18	70.2 Å²	70.2	13%	0.126	39%	0.387	C	S	.	.	S	Bend	trans	-90.9	132.8	-178.1	-52.7	0	0	0	0	111.4	I60 D82	S58-I60 PolarHBondContact O-N 2.91Å; S58-D82 PolarHBondContact OG-OD1 3.26Å
59	P	85.6	Confident	91.3	Very high	86 Å²	86	70.3 Å²	70.3	56%	0.558	38%	0.38	S	S	*	.			trans	-68.9	120.8	175.7	26	-30.7	0	0	0	110.6	N76	P59-N76 HydrophobicContact CG-CB 4.22Å; P59-N76 PolarHBondContact O-N 2.86Å
60	I	93.1	Very high	91.3	Very high	23 Å²	23	66.7 Å²	66.7	12%	0.118	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	159.5	177.9	67.4	166.1	0	0	0	111.3	M41 Y52 L56 S58 I62 L73 Q74 L75	M41-I60 HydrophobicContact CB-CD1 4.03Å; M41-I60 HydrophobicContact CE-CD1 4.23Å; M41-I60 HydrophobicContact CE-CG2 3.92Å; Y52-I60 HydrophobicContact CD1-CD1 3.87Å; Y52-I60 HydrophobicContact CD1-CG1 3.72Å; Y52-I60 HydrophobicContact CE1-CD1 4.32Å; Y52-I60 HydrophobicContact CE1-CG1 4Å; L56-I60 HydrophobicContact CD1-CD1 3.44Å; L56-I60 VanDerWaalsContact CD1-CD1 3.44Å; L56-I60 HydrophobicContact CD1-CG1 3.99Å; S58-I60 PolarHBondContact O-N 2.91Å; I60-I62 HydrophobicContact CD1-CD1 4.41Å; I60-L73 HydrophobicContact CB-CD1 3.87Å; I60-L73 HydrophobicContact CD1-CD1 3.9Å; I60-L73 HydrophobicContact CG1-CD1 4.41Å; I60-L73 HydrophobicContact CG2-CD1 4.28Å; I60-Q74 CarbonylContact C-O 3.58Å; I60-Q74 VanDerWaalsContact CA-O 3.3Å; I60-Q74 WeakPolarHBondContact CA-O 2.99Å; I60-L75 HydrophobicContact CG2-CD2 3.58Å
61	S	94.9	Very high	91.3	Very high	33 Å²	33	64.1 Å²	64.1	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.2	169.3	173.4	0	0	0	0	109.5	Q74	S61-Q74 PolarHBondContact N-O 2.73Å; S61-Q74 PolarHBondContact O-N 3.13Å
62	I	96.2	Very high	91.4	Very high	4 Å²	4	61 Å²	61	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	177.6	-59.8	171	0	0	0	108.2	G42 I44 T50 Y52 I60 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.46Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.8Å; T50-I62 HydrophobicContact CG2-CB 4.44Å; T50-I62 WeakPolarHBondContact CG2-O 3.36Å; Y52-I62 HydrophobicContact CD1-CD1 4.42Å; Y52-I62 HydrophobicContact CE1-CB 4.37Å; Y52-I62 HydrophobicContact CE1-CD1 4.18Å; Y52-I62 HydrophobicContact CE1-CG1 4.02Å; Y52-I62 PolarHBondContact OH-N 2.96Å; I60-I62 HydrophobicContact CD1-CD1 4.41Å; I62-F72 WeakPolarHBondContact CA-O 3.12Å; I62-L73 HydrophobicContact CG1-CD1 3.99Å
63	T	95.6	Very high	91.5	Very high	60 Å²	60	56.6 Å²	56.6	37%	0.368	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	166.4	-178.9	63.4	0	0	0	0	111	F71 F72	T63-F71 CarbonylContact O-C 3.53Å; T63-F71 VanDerWaalsContact O-CA 3.3Å; T63-F71 WeakPolarHBondContact O-CA 3.44Å; T63-F71 WeakPolarHBondContact O-CB 3.02Å; T63-F72 PolarHBondContact N-O 2.83Å; T63-F72 PolarHBondContact O-N 3.03Å
64	R	95	Very high	91.6	Very high	69 Å²	69	57.5 Å²	57.5	26%	0.26	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.6	177.9	67.7	-178.3	-172.2	163.8	4.4	112.3	I21 I44 T45 H46 S47 G48 Q70 F71	I21-R64 HydrophobicContact CD1-CB 3.93Å; I44-R64 HydrophobicContact CD1-CB 3.99Å; I44-R64 HydrophobicContact CD1-CG 3.73Å; T45-R64 PolarHBondContact O-NH1 2.87Å; T45-R64 VanDerWaalsContact O-NH1 3.15Å; H46-R64 PolarHBondContact O-NH1 2.83Å; H46-R64 PolarHBondContact O-NH2 2.88Å; S47-R64 PolarHBondContact O-NH2 2.92Å; G48-R64 VanDerWaalsContact CA-CZ 3.42Å; R64-Q70 WeakPolarHBondContact CA-O 3.31Å; R64-F71 HydrophobicContact CB-CB 4.12Å
65	E	94.9	Very high	91.7	Very high	59 Å²	59	51.8 Å²	51.8	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	100.9	172.6	-174.3	171.6	-171.4	0	0	108.9	S67 K68 N69 Q70 F72	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 WeakPolarHBondContact CG-OG 3.13Å; E65-S67 PolarHBondContact O-N 2.97Å; E65-K68 HydrophobicContact CG-CB 4.15Å; E65-K68 HydrophobicContact CG-CD 4.43Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.45Å; E65-K68 WeakPolarHBondContact OE1-CE 2.96Å; E65-K68 IonicContact OE1-NZ 3.47Å; E65-K68 PolarHBondContact OE1-NZ 2.96Å; E65-K68 VanDerWaalsContact OE2-CD 3.28Å; E65-K68 WeakPolarHBondContact OE2-CD 3.04Å; E65-K68 WeakPolarHBondContact OE2-CE 3.13Å; E65-K68 IonicContact OE2-NZ 2.73Å; E65-K68 PolarHBondContact OE2-NZ 3.07Å; E65-N69 PolarHBondContact O-N 2.85Å; E65-N69 VanDerWaalsContact O-N 3.12Å; E65-Q70 PolarHBondContact N-O 2.92Å; E65-Q70 PolarHBondContact O-N 3.29Å; E65-Q70 VanDerWaalsContact O-N 3.12Å; E65-F72 HydrophobicContact CB-CE2 3.66Å; E65-F72 HydrophobicContact CB-CZ 4.24Å
66	T	94.3	Very high	91.8	Very high	82 Å²	82	49.6 Å²	49.6	50%	0.503	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.7	-35.2	-174.2	51.3	0	0	0	0	112.7	I21 T22 K68 N69	I21-T66 HydrophobicContact CG2-CG2 3.97Å; T22-T66 HydrophobicContact CG2-CG2 4.03Å; T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 3.18Å; T66-N69 PolarHBondContact O-N 3.31Å
67	S	93.6	Very high	91.9	Very high	100 Å²	100	51.8 Å²	51.8	70%	0.699	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-62.4	-32.4	177.9	55.5	0	0	0	0	113.1	E65	E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 WeakPolarHBondContact CG-OG 3.13Å; E65-S67 PolarHBondContact O-N 2.97Å
68	K	95	Very high	92.7	Very high	119 Å²	119	44 Å²	44	52%	0.517	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-98.1	-1.7	178.4	-63.5	-167.7	-168.3	131	0	113.6	E65 T66 Q70	E65-K68 HydrophobicContact CG-CB 4.15Å; E65-K68 HydrophobicContact CG-CD 4.43Å; E65-K68 HydrophobicContact CG-CG 4.05Å; E65-K68 PolarHBondContact O-N 3.45Å; E65-K68 WeakPolarHBondContact OE1-CE 2.96Å; E65-K68 IonicContact OE1-NZ 3.47Å; E65-K68 PolarHBondContact OE1-NZ 2.96Å; E65-K68 VanDerWaalsContact OE2-CD 3.28Å; E65-K68 WeakPolarHBondContact OE2-CD 3.04Å; E65-K68 WeakPolarHBondContact OE2-CE 3.13Å; E65-K68 IonicContact OE2-NZ 2.73Å; E65-K68 PolarHBondContact OE2-NZ 3.07Å; T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 3.18Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.26Å; K68-Q70 HydrophobicContact CB-CG 4.22Å; K68-Q70 WeakPolarHBondContact O-CG 3.49Å; K68-Q70 PolarHBondContact O-N 2.85Å
69	N	95.3	Very high	93.3	Very high	32 Å²	32	45.9 Å²	45.9	17%	0.171	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	41.6	-174.9	-149.3	38.5	0	0	0	113.2	I16 F19 P20 I21 E65 T66	I16-N69 PolarHBondContact N-O 2.94Å; I16-N69 PolarHBondContact O-ND2 3.17Å; F19-N69 PolarHBondContact O-ND2 2.86Å; P20-N69 WeakPolarHBondContact CA-OD1 3.49Å; I21-N69 WeakPolarHBondContact CB-OD1 3.44Å; I21-N69 PolarHBondContact N-OD1 2.9Å; E65-N69 PolarHBondContact O-N 2.85Å; E65-N69 VanDerWaalsContact O-N 3.12Å; T66-N69 PolarHBondContact O-N 3.31Å
70	Q	96.1	Very high	93.4	Very high	42 Å²	42	45.7 Å²	45.7	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.2	-171.8	-80	170.9	-7.8	0	0	111.8	T13 C14 S15 I21 R64 E65 K68 F72	T13-Q70 HydrophobicContact CG2-CB 4.27Å; T13-Q70 HydrophobicContact CG2-CG 3.99Å; C14-Q70 VanDerWaalsContact O-CA 3.31Å; C14-Q70 WeakPolarHBondContact O-CA 3.3Å; S15-Q70 WeakPolarHBondContact OG-CG 3.21Å; S15-Q70 PolarHBondContact OG-NE2 3.38Å; I21-Q70 WeakPolarHBondContact CD1-O 3.39Å; R64-Q70 WeakPolarHBondContact CA-O 3.31Å; E65-Q70 PolarHBondContact N-O 2.92Å; E65-Q70 PolarHBondContact O-N 3.29Å; E65-Q70 VanDerWaalsContact O-N 3.12Å; K68-Q70 VanDerWaalsContact C-N 3.26Å; K68-Q70 HydrophobicContact CB-CB 4.26Å; K68-Q70 HydrophobicContact CB-CG 4.22Å; K68-Q70 WeakPolarHBondContact O-CG 3.49Å; K68-Q70 PolarHBondContact O-N 2.85Å; Q70-F72 HydrophobicContact CB-CE1 4.4Å; Q70-F72 HydrophobicContact CB-CE2 4.01Å; Q70-F72 HydrophobicContact CB-CZ 3.71Å
71	F	95.9	Very high	93.1	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.7	164	70.6	-73	0	0	0	111.5	C14 I16 I21 W27 W29 I44 T63 R64 C88	C14-F71 HydrophobicContact CB-CD1 3.84Å; C14-F71 HydrophobicContact CB-CE1 3.46Å; C14-F71 VanDerWaalsContact CB-CE1 3.46Å; C14-F71 HydrophobicContact CB-CE2 4.37Å; C14-F71 HydrophobicContact CB-CG 4.47Å; C14-F71 HydrophobicContact CB-CZ 3.78Å; C14-F71 PolarHBondContact N-O 2.8Å; C14-F71 PolarHBondContact O-N 2.99Å; C14-F71 WeakPolarHBondContact SG-CE1 3.4Å; I16-F71 HydrophobicContact CD1-CD1 3.98Å; I16-F71 HydrophobicContact CD1-CE1 4.18Å; I16-F71 HydrophobicContact CG1-CD1 4.45Å; I16-F71 HydrophobicContact CG1-CE1 4.33Å; I21-F71 HydrophobicContact CD1-CB 3.9Å; I21-F71 HydrophobicContact CD1-CD1 4.31Å; W27-F71 HydrophobicContact CB-CD1 4.07Å; W27-F71 HydrophobicContact CB-CD2 3.98Å; W27-F71 HydrophobicContact CB-CE1 3.87Å; W27-F71 HydrophobicContact CB-CE2 3.81Å; W27-F71 HydrophobicContact CB-CG 4.1Å; W27-F71 HydrophobicContact CB-CZ 3.71Å; W27-F71 HydrophobicContact CD2-CE1 4.32Å; W27-F71 HydrophobicContact CE3-CE1 4.06Å; W27-F71 HydrophobicContact CE3-CZ 4.46Å; W27-F71 HydrophobicContact CG-CD1 4.36Å; W27-F71 HydrophobicContact CG-CE1 4.28Å; W29-F71 AromaticContact CD1-CD2 3.89Å; W29-F71 AromaticContact CD1-CE2 3.66Å; W29-F71 HydrophobicContact CD2-CE2 4.3Å; W29-F71 AromaticContact CE2-CD2 3.93Å; W29-F71 AromaticContact CE2-CE2 3.68Å; W29-F71 HydrophobicContact CG-CE2 4.29Å; W29-F71 HydrophobicContact CZ2-CD2 4.37Å; W29-F71 HydrophobicContact CZ2-CE2 4.23Å; W29-F71 AromaticContact NE1-CD2 3.22Å; W29-F71 AromaticContact NE1-CE2 3.24Å; I44-F71 HydrophobicContact CG2-CB 4.33Å; I44-F71 HydrophobicContact CG2-CD2 4.32Å; T63-F71 CarbonylContact O-C 3.53Å; T63-F71 VanDerWaalsContact O-CA 3.3Å; T63-F71 WeakPolarHBondContact O-CA 3.44Å; T63-F71 WeakPolarHBondContact O-CB 3.02Å; R64-F71 HydrophobicContact CB-CB 4.12Å; F71-C88 HydrophobicContact CE1-CB 4.25Å; F71-C88 HydrophobicContact CE2-CB 4.21Å; F71-C88 HydrophobicContact CZ-CB 3.55Å
72	F	96.1	Very high	92.9	Very high	32 Å²	32	49 Å²	49	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.8	-166.5	-50.3	-91	0	0	0	110.6	L12 T13 I62 T63 E65 Q70	L12-F72 CarbonylContact O-C 3.53Å; L12-F72 WeakPolarHBondContact O-CA 3.26Å; T13-F72 HydrophobicContact CG2-CD1 3.86Å; T13-F72 HydrophobicContact CG2-CE1 3.46Å; T13-F72 VanDerWaalsContact CG2-CE1 3.46Å; T13-F72 HydrophobicContact CG2-CZ 4.26Å; T13-F72 VanDerWaalsContact OG1-CD1 3.25Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.2Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.47Å; I62-F72 WeakPolarHBondContact CA-O 3.12Å; T63-F72 PolarHBondContact N-O 2.83Å; T63-F72 PolarHBondContact O-N 3.03Å; E65-F72 HydrophobicContact CB-CE2 3.66Å; E65-F72 HydrophobicContact CB-CZ 4.24Å; Q70-F72 HydrophobicContact CB-CE1 4.4Å; Q70-F72 HydrophobicContact CB-CE2 4.01Å; Q70-F72 HydrophobicContact CB-CZ 3.71Å
73	L	96.1	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.1	165.8	172.3	65	0	0	0	107.7	F11 L12 W29 M41 I60 I62 L75 Y86	F11-L73 CarbonylContact C-O 3.46Å; F11-L73 WeakPolarHBondContact CA-O 3.21Å; L12-L73 HydrophobicContact CB-CB 4.33Å; L12-L73 HydrophobicContact CD1-CD2 4.2Å; L12-L73 PolarHBondContact N-O 3Å; L12-L73 PolarHBondContact O-N 2.86Å; W29-L73 HydrophobicContact CB-CD2 4.15Å; W29-L73 HydrophobicContact CD2-CB 3.64Å; W29-L73 HydrophobicContact CD2-CD2 3.88Å; W29-L73 HydrophobicContact CD2-CG 4.36Å; W29-L73 VanDerWaalsContact CE2-CB 3.41Å; W29-L73 HydrophobicContact CE3-CB 4.27Å; W29-L73 HydrophobicContact CE3-CD2 3.99Å; W29-L73 HydrophobicContact CG-CB 3.86Å; W29-L73 HydrophobicContact CG-CD2 3.96Å; W29-L73 HydrophobicContact CG-CG 4.35Å; W29-L73 HydrophobicContact CH2-CB 4.49Å; W29-L73 HydrophobicContact CZ2-CB 3.88Å; M41-L73 HydrophobicContact CE-CD2 4.12Å; M41-L73 HydrophobicContact SD-CD2 3.89Å; I60-L73 HydrophobicContact CB-CD1 3.87Å; I60-L73 HydrophobicContact CD1-CD1 3.9Å; I60-L73 HydrophobicContact CG1-CD1 4.41Å; I60-L73 HydrophobicContact CG2-CD1 4.28Å; I62-L73 HydrophobicContact CG1-CD1 3.99Å; L73-L75 HydrophobicContact CD1-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.04Å; L73-L75 HydrophobicContact CG-CD2 4.04Å; L73-L75 HydrophobicContact CG-CG 4.34Å; L73-Y86 HydrophobicContact CD2-CD1 3.84Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å
74	Q	94.4	Very high	92.6	Very high	47 Å²	47	47.9 Å²	47.9	22%	0.22	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.4	170	-178.7	178.5	-2.2	0	0	108.7	L10 F11 I60 S61 N76	L10-Q74 CarbonylContact O-C 3.46Å; L10-Q74 WeakPolarHBondContact O-CA 3.38Å; F11-Q74 HydrophobicContact CD1-CB 3.78Å; F11-Q74 HydrophobicContact CD1-CG 3.96Å; F11-Q74 HydrophobicContact CE1-CB 3.61Å; F11-Q74 HydrophobicContact CE1-CG 3.44Å; F11-Q74 VanDerWaalsContact CE1-CG 3.44Å; F11-Q74 HydrophobicContact CE2-CG 4.46Å; F11-Q74 HydrophobicContact CZ-CB 4.4Å; F11-Q74 VanDerWaalsContact CZ-CD 3.42Å; F11-Q74 HydrophobicContact CZ-CG 3.73Å; I60-Q74 CarbonylContact C-O 3.58Å; I60-Q74 VanDerWaalsContact CA-O 3.3Å; I60-Q74 WeakPolarHBondContact CA-O 2.99Å; S61-Q74 PolarHBondContact N-O 2.73Å; S61-Q74 PolarHBondContact O-N 3.13Å; Q74-N76 WeakPolarHBondContact CG-OD1 3.35Å; Q74-N76 PolarHBondContact NE2-OD1 2.92Å
75	L	92.1	Very high	92.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.6	169.4	-58.5	174.1	0	0	0	107.8	S9 L10 L12 M41 I60 L73 V78 Y86 L107	S9-L75 VanDerWaalsContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CA-O 3.41Å; L10-L75 PolarHBondContact N-O 3.48Å; L10-L75 PolarHBondContact O-N 2.77Å; L12-L75 HydrophobicContact CD1-CD1 4.49Å; M41-L75 HydrophobicContact CE-CD2 4Å; I60-L75 HydrophobicContact CG2-CD2 3.58Å; L73-L75 HydrophobicContact CD1-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.04Å; L73-L75 HydrophobicContact CG-CD2 4.04Å; L73-L75 HydrophobicContact CG-CG 4.34Å; L75-V78 HydrophobicContact CB-CG1 3.65Å; L75-V78 HydrophobicContact CD1-CG1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.9Å; L75-Y86 HydrophobicContact CD1-CE2 4.49Å; L75-Y86 HydrophobicContact CD2-CE1 4.22Å; L75-L107 HydrophobicContact CD1-CD2 3.61Å
76	N	89	Confident	92.7	Very high	42 Å²	42	44.5 Å²	44.5	23%	0.225	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-99	132.2	179.8	-62	-51.3	0	0	0	110.1	P59 Q74	P59-N76 HydrophobicContact CG-CB 4.22Å; P59-N76 PolarHBondContact O-N 2.86Å; Q74-N76 WeakPolarHBondContact CG-OD1 3.35Å; Q74-N76 PolarHBondContact NE2-OD1 2.92Å
77	S	87.4	Confident	92.8	Very high	72 Å²	72	42.7 Å²	42.7	50%	0.503	23%	0.23	S	C	.	.	S	Bend	trans	54.3	58.2	177.4	-57.6	0	0	0	0	113.1	Q8	Q8-S77 PolarHBondContact O-N 3.21Å
78	V	89.4	Confident	92.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.202	C	C	.	.			trans	-57	142.6	-175.4	-61.1	0	0	0	0	112.4	V4 P6 S7 Q8 L10 L75 D82 V109	V4-V78 HydrophobicContact CG2-CG2 4.02Å; P6-V78 CarbonylContact C-O 3.54Å; P6-V78 VanDerWaalsContact CA-O 3.31Å; P6-V78 WeakPolarHBondContact CA-O 3.42Å; S7-V78 PolarHBondContact N-O 2.85Å; Q8-V78 WeakPolarHBondContact O-CG2 3.16Å; Q8-V78 PolarHBondContact O-N 3.09Å; L10-V78 HydrophobicContact CB-CG1 4.41Å; L75-V78 HydrophobicContact CB-CG1 3.65Å; L75-V78 HydrophobicContact CD1-CG1 4.29Å; V78-D82 WeakPolarHBondContact CA-OD2 3.36Å; V78-D82 HydrophobicContact CB-CB 4.49Å; V78-V109 HydrophobicContact CB-CG2 4.22Å; V78-V109 HydrophobicContact CG2-CG1 4.09Å; V78-V109 HydrophobicContact CG2-CG2 4.17Å
79	T	89.4	Confident	92.9	Very high	56 Å²	56	33.2 Å²	33.2	34%	0.344	18%	0.179	S	C	.	.			trans	-118.8	170.8	177.4	67.5	0	0	0	0	110.4	E81 D82 V109	T79-E81 PolarHBondContact O-N 3.32Å; T79-E81 PolarHBondContact OG1-N 3.19Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 2.74Å; T79-V109 VanDerWaalsContact O-CB 3.29Å; T79-V109 WeakPolarHBondContact O-CB 3.44Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å; T79-V109 WeakPolarHBondContact O-CG2 3.28Å
80	T	88	Confident	92.7	Very high	82 Å²	82	31.7 Å²	31.7	50%	0.503	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.4	174.9	49.3	0	0	0	0	112.5	D82 T83	T80-D82 VanDerWaalsContact C-N 3.25Å; T80-D82 PolarHBondContact O-N 2.78Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.29Å; T80-T83 PolarHBondContact O-N 2.87Å; T80-T83 PolarHBondContact O-OG1 2.84Å
81	E	87.2	Confident	92.4	Very high	126 Å²	126	31.2 Å²	31.2	59%	0.589	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-69.4	-21.1	176.4	-57	-173.4	175.9	0	0	113.4	T79 T83	T79-E81 PolarHBondContact O-N 3.32Å; T79-E81 PolarHBondContact OG1-N 3.19Å; E81-T83 PolarHBondContact O-N 2.93Å
82	D	89.3	Confident	91.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79.6	4.2	174	-59.4	-58.2	0	0	0	112.3	R31 S58 V78 T79 T80 A84 Y86 V109	R31-D82 IonicContact NH1-OD1 2.85Å; R31-D82 PolarHBondContact NH1-OD1 2.92Å; S58-D82 PolarHBondContact OG-OD1 3.26Å; V78-D82 WeakPolarHBondContact CA-OD2 3.36Å; V78-D82 HydrophobicContact CB-CB 4.49Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact OG1-OD2 2.74Å; T80-D82 VanDerWaalsContact C-N 3.25Å; T80-D82 PolarHBondContact O-N 2.78Å; D82-A84 PolarHBondContact O-N 3.12Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.63Å; D82-V109 HydrophobicContact CB-CG2 4.43Å
83	T	92.3	Very high	90.5	Very high	36 Å²	36	39.4 Å²	39.4	22%	0.221	21%	0.21	C	C	.	.			trans	-68.7	107.5	170.4	-63	0	0	0	0	110.1	P34 T80 E81 L107 T108 V109	P34-T83 WeakPolarHBondContact CD-O 3.26Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.29Å; T80-T83 PolarHBondContact O-N 2.87Å; T80-T83 PolarHBondContact O-OG1 2.84Å; E81-T83 PolarHBondContact O-N 2.93Å; T83-L107 WeakPolarHBondContact CA-O 3.39Å; T83-T108 HydrophobicContact CG2-CG2 4.39Å; T83-V109 PolarHBondContact OG1-N 3.07Å; T83-V109 PolarHBondContact OG1-O 3.38Å
84	A	94.3	Very high	89.1	Confident	3 Å²	3	42.7 Å²	42.7	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	167.3	-175.4	0	0	0	0	0	111.6	R31 Q32 D82 Y86 L107	R31-A84 HydrophobicContact CB-CB 4.18Å; Q32-A84 WeakPolarHBondContact O-CA 3.43Å; Q32-A84 WeakPolarHBondContact O-CB 3.28Å; D82-A84 PolarHBondContact O-N 3.12Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; A84-L107 PolarHBondContact N-O 3.43Å; A84-L107 VanDerWaalsContact N-O 3.14Å; A84-L107 PolarHBondContact O-N 2.84Å
85	M	95.9	Very high	87.6	Confident	56 Å²	56	44.1 Å²	44.1	28%	0.276	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.8	159.9	-166.1	72.3	73.3	0	0	109	R31 Q32 Y87 T106	R31-M85 CarbonylContact C-O 3.42Å; R31-M85 VanDerWaalsContact CA-O 3.28Å; R31-M85 WeakPolarHBondContact CA-O 3.31Å; Q32-M85 HydrophobicContact CB-CB 4.48Å; Q32-M85 PolarHBondContact N-O 3.14Å; Q32-M85 PolarHBondContact O-N 2.94Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.8Å; M85-Y87 HydrophobicContact CG-CE2 3.63Å; M85-Y87 WeakPolarHBondContact CG-OH 3.26Å; M85-T106 WeakPolarHBondContact CE-OG1 3.13Å; M85-T106 PolarHBondContact SD-N 3.31Å; M85-T106 PolarHBondContact SD-OG1 2.77Å
86	Y	95.9	Very high	86.1	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	179.4	-71.7	-100.5	0	0	0	110.1	L12 I30 R31 M41 L73 L75 D82 A84 G104 T105 L107	L12-Y86 HydrophobicContact CD1-CD1 3.59Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CE1 4.25Å; L12-Y86 HydrophobicContact CD1-CG 3.45Å; L12-Y86 VanDerWaalsContact CD1-CG 3.45Å; I30-Y86 CarbonylContact O-C 3.55Å; I30-Y86 WeakPolarHBondContact O-CA 3.3Å; R31-Y86 HydrophobicContact CB-CD1 3.92Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å; R31-Y86 HydrophobicContact CB-CG 4.4Å; M41-Y86 HydrophobicContact CE-CE1 3.97Å; M41-Y86 HydrophobicContact SD-CD1 3.86Å; M41-Y86 HydrophobicContact SD-CE1 3.64Å; L73-Y86 HydrophobicContact CD2-CD1 3.84Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å; L75-Y86 HydrophobicContact CD1-CE1 3.9Å; L75-Y86 HydrophobicContact CD1-CE2 4.49Å; L75-Y86 HydrophobicContact CD2-CE1 4.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.63Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.76Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; Y86-G104 CarbonylContact O-C 3.54Å; Y86-G104 WeakPolarHBondContact O-CA 3.3Å; Y86-T105 PolarHBondContact N-O 3Å; Y86-T105 PolarHBondContact O-N 3.35Å; Y86-L107 HydrophobicContact CD2-CB 3.88Å; Y86-L107 HydrophobicContact CD2-CD2 4.5Å; Y86-L107 HydrophobicContact CE2-CB 3.69Å; Y86-L107 HydrophobicContact CE2-CD2 3.76Å; Y86-L107 HydrophobicContact CE2-CG 4.31Å
87	Y	96.3	Very high	84.9	Confident	44 Å²	44	61.2 Å²	61.2	17%	0.173	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.6	179.8	-53.1	-90	0	0	0	109.7	W29 I30 Q32 L38 M85 W101	W29-Y87 VanDerWaalsContact CE3-O 3.28Å; I30-Y87 PolarHBondContact N-O 2.97Å; I30-Y87 PolarHBondContact O-N 3.32Å; Q32-Y87 HydrophobicContact CB-CE2 3.87Å; Q32-Y87 PolarHBondContact OE1-OH 3.48Å; Q32-Y87 VanDerWaalsContact OE1-OH 3.09Å; L38-Y87 HydrophobicContact CD2-CD2 3.95Å; L38-Y87 HydrophobicContact CD2-CE2 3.83Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.8Å; M85-Y87 HydrophobicContact CG-CE2 3.63Å; M85-Y87 WeakPolarHBondContact CG-OH 3.26Å; Y87-W101 HydrophobicContact CG-CE3 4.44Å; Y87-W101 HydrophobicContact CG-CZ3 4.27Å
88	C	95.4	Very high	84.3	Confident	16 Å²	16	62 Å²	62	11%	0.108	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.9	163.4	57.9	0	0	0	0	109.7	C14 I28 W29 F71 G102	C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 3.03Å; I28-C88 CarbonylContact O-C 3.6Å; I28-C88 VanDerWaalsContact O-CA 3.3Å; I28-C88 WeakPolarHBondContact O-CA 3.4Å; W29-C88 HydrophobicContact CE3-CB 4.28Å; W29-C88 HydrophobicContact CH2-CB 4.22Å; W29-C88 HydrophobicContact CZ2-CB 4.49Å; W29-C88 HydrophobicContact CZ3-CB 4.11Å; F71-C88 HydrophobicContact CE1-CB 4.25Å; F71-C88 HydrophobicContact CE2-CB 4.21Å; F71-C88 HydrophobicContact CZ-CB 3.55Å; C88-G102 PolarHBondContact O-N 3.2Å
89	A	94.4	Very high	83.8	Confident	4 Å²	4	65 Å²	65	3%	0.033	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159	177.3	0	0	0	0	0	111.3	I28 I30 F98 Y100 W101	I28-A89 HydrophobicContact CB-CB 4.44Å; I28-A89 PolarHBondContact N-O 2.82Å; I28-A89 PolarHBondContact O-N 2.74Å; I30-A89 HydrophobicContact CD1-CB 4.19Å; A89-F98 HydrophobicContact CB-CD1 3.78Å; A89-F98 HydrophobicContact CB-CE1 4.29Å; A89-F98 HydrophobicContact CB-CG 4.35Å; A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.16Å; A89-Y100 WeakPolarHBondContact CB-O 3.34Å; A89-W101 HydrophobicContact CB-CD2 4.23Å; A89-W101 HydrophobicContact CB-CG 4.48Å
90	G	92.1	Very high	83.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132	174.1	0	0	0	0	0	110.7	Y26 F98 D99 Y100	Y26-G90 WeakPolarHBondContact O-CA 3.46Å; G90-F98 CarbonylContact O-C 3.41Å; G90-D99 PolarHBondContact O-N 2.84Å; G90-Y100 PolarHBondContact N-O 2.67Å; G90-Y100 PolarHBondContact O-N 2.99Å
91	D	88.8	Confident	83.8	Confident	32 Å²	32	69.2 Å²	69.2	17%	0.171	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.3	176.8	177.9	18.6	0	0	0	110	Y25 Y26 I28 F98	Y25-D91 CarbonylContact C-O 3.48Å; Y25-D91 VanDerWaalsContact CA-O 3.26Å; Y25-D91 WeakPolarHBondContact CA-O 3.31Å; Y26-D91 PolarHBondContact N-O 2.94Å; Y26-D91 PolarHBondContact O-N 2.79Å; I28-D91 HydrophobicContact CD1-CB 3.63Å; D91-F98 HydrophobicContact CB-CD1 4.2Å
92	R	84.4	Confident	84	Confident	138 Å²	138	64.4 Å²	64.4	52%	0.521	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	-179.2	-167.6	173.7	-178.2	175.2	-0.3	110.3	Y25 G94 N95 D99	Y25-R92 HydrophobicContact CD1-CB 3.81Å; Y25-R92 HydrophobicContact CD1-CG 4.41Å; Y25-R92 HydrophobicContact CE1-CB 3.58Å; Y25-R92 HydrophobicContact CE1-CG 4.09Å; R92-G94 PolarHBondContact O-N 3.15Å; R92-G94 VanDerWaalsContact O-N 3.07Å; R92-N95 WeakPolarHBondContact O-CB 3.32Å; R92-N95 PolarHBondContact O-N 2.96Å; R92-D99 WeakPolarHBondContact CB-OD2 3.25Å; R92-D99 PolarHBondContact N-OD2 2.7Å
93	S	69.5	Low	84.1	Confident	67 Å²	67	73.5 Å²	73.5	47%	0.469	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	118.9	178.4	-169.5	0	0	0	0	111.9	G24 Y26	G24-S93 PolarHBondContact O-N 3.24Å; G24-S93 VanDerWaalsContact O-N 3.13Å; Y26-S93 PolarHBondContact OH-OG 3.15Å
94	G	66.1	Low	84.1	Confident	70 Å²	70	73 Å²	73	72%	0.722	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-4.4	-177.2	0	0	0	0	0	115.7	R92	R92-G94 PolarHBondContact O-N 3.15Å; R92-G94 VanDerWaalsContact O-N 3.07Å
95	N	62	Low	84.1	Confident	76 Å²	76	74.9 Å²	74.9	41%	0.406	37%	0.369	S	S	.	.			trans	-95.9	153.9	171.2	-77.9	-27.5	0	0	0	111.5	R92 D99	R92-N95 WeakPolarHBondContact O-CB 3.32Å; R92-N95 PolarHBondContact O-N 2.96Å; N95-D99 PolarHBondContact ND2-OD2 3.43Å
96	Y	60.5	Low	84	Confident	220 Å²	220	75.4 Å²	75.4	86%	0.863	38%	0.376	S	S	*	.	S	Bend	trans	-98.8	8.1	175.8	-63.6	-74.1	0	0	0	112.8
97	Y	64.9	Low	83.7	Confident	184 Å²	184	75.3 Å²	75.3	72%	0.722	38%	0.375	S	S	*	.	S	Bend	trans	-136.1	143.3	-172.7	-60.3	-74	0	0	0	110.9	D99	Y97-D99 PolarHBondContact O-N 3Å
98	F	73.8	Confident	83.4	Confident	89 Å²	89	76 Å²	76	39%	0.39	38%	0.384	S	S	.	.			trans	-68.5	113.4	169.7	-61.2	-78	0	0	0	110.1	I28 I30 A89 G90 D91 Y100 W101	I28-F98 HydrophobicContact CB-CE1 4.35Å; I28-F98 HydrophobicContact CD1-CD1 3.85Å; I28-F98 HydrophobicContact CD1-CE1 3.39Å; I28-F98 HydrophobicContact CG1-CE1 4.4Å; I28-F98 HydrophobicContact CG2-CE1 4.15Å; I30-F98 HydrophobicContact CD1-CE1 4.25Å; I30-F98 HydrophobicContact CD1-CZ 4.1Å; A89-F98 HydrophobicContact CB-CD1 3.78Å; A89-F98 HydrophobicContact CB-CE1 4.29Å; A89-F98 HydrophobicContact CB-CG 4.35Å; G90-F98 CarbonylContact O-C 3.41Å; D91-F98 HydrophobicContact CB-CD1 4.2Å; F98-Y100 VanDerWaalsContact C-N 3.35Å; F98-W101 HydrophobicContact CB-CZ2 4.38Å; F98-W101 AromaticContact CD2-CZ2 3.66Å; F98-W101 HydrophobicContact CD2-CZ2 3.66Å; F98-W101 HydrophobicContact CE2-CZ2 4.08Å; F98-W101 HydrophobicContact CG-CZ2 4.05Å; F98-W101 AromaticContact CG-NE1 3.79Å
99	D	79.3	Confident	82.9	Confident	64 Å²	64	75.4 Å²	75.4	34%	0.342	38%	0.38	S	S	.	.			trans	-72.3	-30.5	-178.8	-65.6	-44.1	0	0	0	112	Y25 G90 R92 N95 Y97	Y25-D99 HydrophobicContact CE1-CB 4.41Å; G90-D99 PolarHBondContact O-N 2.84Å; R92-D99 WeakPolarHBondContact CB-OD2 3.25Å; R92-D99 PolarHBondContact N-OD2 2.7Å; N95-D99 PolarHBondContact ND2-OD2 3.43Å; Y97-D99 PolarHBondContact O-N 3Å
100	Y	86.1	Confident	82.4	Confident	113 Å²	113	77.3 Å²	77.3	44%	0.443	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141	-175.6	-56.9	-78.4	0	0	0	112.1	F19 Y25 A89 G90 F98	F19-Y100 HydrophobicContact CE1-CD2 4.35Å; F19-Y100 HydrophobicContact CE1-CE1 4.33Å; F19-Y100 AromaticContact CE1-CE2 3.75Å; F19-Y100 HydrophobicContact CE1-CE2 3.75Å; F19-Y100 AromaticContact CE1-CZ 3.73Å; F19-Y100 AromaticContact CZ-CD2 3.93Å; F19-Y100 HydrophobicContact CZ-CD2 3.93Å; F19-Y100 AromaticContact CZ-CE2 3.58Å; F19-Y100 HydrophobicContact CZ-CE2 3.58Å; Y25-Y100 HydrophobicContact CE1-CD2 4.08Å; Y25-Y100 AromaticContact CE1-CE2 3.7Å; Y25-Y100 HydrophobicContact CE1-CE2 3.7Å; Y25-Y100 AromaticContact CZ-CE2 3.88Å; A89-Y100 CarbonylContact C-O 3.58Å; A89-Y100 WeakPolarHBondContact CA-O 3.16Å; A89-Y100 WeakPolarHBondContact CB-O 3.34Å; G90-Y100 PolarHBondContact N-O 2.67Å; G90-Y100 PolarHBondContact O-N 2.99Å; F98-Y100 VanDerWaalsContact C-N 3.35Å
101	W	92	Very high	81.4	Confident	114 Å²	114	84.7 Å²	84.7	43%	0.432	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.7	173.3	-76.5	73.7	0	0	0	110.6	I30 L38 Y87 A89 F98	I30-W101 HydrophobicContact CD1-CH2 3.35Å; I30-W101 HydrophobicContact CD1-CZ2 3.95Å; I30-W101 HydrophobicContact CD1-CZ3 3.8Å; L38-W101 HydrophobicContact CD1-CH2 3.98Å; L38-W101 HydrophobicContact CD1-CZ3 4.42Å; Y87-W101 HydrophobicContact CG-CE3 4.44Å; Y87-W101 HydrophobicContact CG-CZ3 4.27Å; A89-W101 HydrophobicContact CB-CD2 4.23Å; A89-W101 HydrophobicContact CB-CG 4.48Å; F98-W101 HydrophobicContact CB-CZ2 4.38Å; F98-W101 AromaticContact CD2-CZ2 3.66Å; F98-W101 HydrophobicContact CD2-CZ2 3.66Å; F98-W101 HydrophobicContact CE2-CZ2 4.08Å; F98-W101 HydrophobicContact CG-CZ2 4.05Å; F98-W101 AromaticContact CG-NE1 3.79Å
102	G	91.9	Very high	81	Confident	25 Å²	25	87.3 Å²	87.3	26%	0.258	46%	0.458	S	S	.	.			trans	-74.1	156.9	165.3	0	0	0	0	0	111.2	C88 G104	C88-G102 PolarHBondContact O-N 3.2Å; G102-G104 PolarHBondContact O-N 3.12Å
103	Q	91.2	Very high	80.9	Confident	191 Å²	191	84.6 Å²	84.6	89%	0.893	46%	0.455	S	S	*	.			trans	-61.7	-11.3	179.2	-68.2	-66.1	-40.2	0	0	114.1
104	G	92.4	Very high	81.5	Confident	27 Å²	27	85.6 Å²	85.6	28%	0.278	45%	0.454	S	S	.	.			trans	81.8	160.4	-175.7	0	0	0	0	0	112.1	Y86 G102	Y86-G104 CarbonylContact O-C 3.54Å; Y86-G104 WeakPolarHBondContact O-CA 3.3Å; G102-G104 PolarHBondContact O-N 3.12Å
105	T	93.7	Very high	82.4	Confident	41 Å²	41	86.5 Å²	86.5	25%	0.252	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126	-177.8	-157.6	0	0	0	0	110.8	P1 L12 Y86	P1-T105 WeakPolarHBondContact CD-OG1 3.33Å; P1-T105 HydrophobicContact CG-CG2 3.7Å; P1-T105 WeakPolarHBondContact CG-OG1 3.45Å; L12-T105 HydrophobicContact CD1-CG2 4.39Å; L12-T105 HydrophobicContact CD2-CG2 4.05Å; Y86-T105 PolarHBondContact N-O 3Å; Y86-T105 PolarHBondContact O-N 3.35Å
106	T	93.1	Very high	83.7	Confident	67 Å²	67	87.2 Å²	87.2	41%	0.411	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.8	-177.9	-44.4	0	0	0	0	110.1	P1 M85	P1-T106 WeakPolarHBondContact CB-O 3.41Å; P1-T106 WeakPolarHBondContact CD-O 3.44Å; P1-T106 WeakPolarHBondContact CG-O 3.37Å; P1-T106 VanDerWaalsContact O-O 3.07Å; M85-T106 WeakPolarHBondContact CE-OG1 3.13Å; M85-T106 PolarHBondContact SD-N 3.31Å; M85-T106 PolarHBondContact SD-OG1 2.77Å
107	L	90.6	Very high	85.2	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.3	168	176.7	59.7	0	0	0	108.7	V4 L10 L75 T83 A84 Y86 V109	V4-L107 HydrophobicContact CG1-CD1 4.25Å; V4-L107 HydrophobicContact CG2-CD1 3.74Å; L10-L107 HydrophobicContact CD2-CD1 3.36Å; L10-L107 HydrophobicContact CD2-CD2 3.6Å; L10-L107 HydrophobicContact CD2-CG 4.07Å; L75-L107 HydrophobicContact CD1-CD2 3.61Å; T83-L107 WeakPolarHBondContact CA-O 3.39Å; A84-L107 PolarHBondContact N-O 3.43Å; A84-L107 VanDerWaalsContact N-O 3.14Å; A84-L107 PolarHBondContact O-N 2.84Å; Y86-L107 HydrophobicContact CD2-CB 3.88Å; Y86-L107 HydrophobicContact CD2-CD2 4.5Å; Y86-L107 HydrophobicContact CE2-CB 3.69Å; Y86-L107 HydrophobicContact CE2-CD2 3.76Å; Y86-L107 HydrophobicContact CE2-CG 4.31Å; L107-V109 HydrophobicContact CD2-CG2 4.41Å; L107-V109 HydrophobicContact CG-CG2 4.21Å
108	T	89.8	Confident	86.7	Confident	57 Å²	57	70.8 Å²	70.8	35%	0.35	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121	175.1	-53.1	0	0	0	0	109.1	L3 V4 T83	L3-T108 WeakPolarHBondContact CA-O 3.06Å; L3-T108 HydrophobicContact CD1-CG2 3.74Å; V4-T108 PolarHBondContact N-O 3.24Å; T83-T108 HydrophobicContact CG2-CG2 4.39Å
109	V	85.4	Confident	87.7	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120	175.9	-170.9	0	0	0	0	108.2	V4 P6 V78 T79 D82 T83 L107	V4-V109 HydrophobicContact CG2-CB 4.23Å; V4-V109 HydrophobicContact CG2-CG1 4.28Å; V4-V109 HydrophobicContact CG2-CG2 3.66Å; V4-V109 WeakPolarHBondContact O-CA 3.37Å; P6-V109 HydrophobicContact CG-CG1 4.22Å; V78-V109 HydrophobicContact CB-CG2 4.22Å; V78-V109 HydrophobicContact CG2-CG1 4.09Å; V78-V109 HydrophobicContact CG2-CG2 4.17Å; T79-V109 VanDerWaalsContact O-CB 3.29Å; T79-V109 WeakPolarHBondContact O-CB 3.44Å; T79-V109 WeakPolarHBondContact O-CG1 3.12Å; T79-V109 WeakPolarHBondContact O-CG2 3.28Å; D82-V109 HydrophobicContact CB-CG2 4.43Å; T83-V109 PolarHBondContact OG1-N 3.07Å; T83-V109 PolarHBondContact OG1-O 3.38Å; L107-V109 HydrophobicContact CD2-CG2 4.41Å; L107-V109 HydrophobicContact CG-CG2 4.21Å
110	S	82.7	Confident	88.4	Confident	44 Å²	44	69.8 Å²	69.8	31%	0.308	39%	0.394	S	S	.	.			trans	-135.2	143.4	179.9	68.2	0	0	0	0	111.2	L3 V4 P6	L3-S110 WeakPolarHBondContact CD1-OG 3.36Å; V4-S110 PolarHBondContact O-N 2.69Å; P6-S110 WeakPolarHBondContact CD-O 3.37Å
111	S	71.7	Confident	88.6	Confident	154 Å²	154	65.9 Å²	65.9	100%	1.077	39%	0.39	S	S	*	.			trans	-68.8	0	173.4	59.4	0	0	0	0	112.8

Retrieved 111 of 111 residues in 28 ms (Link to these results)

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