X5J4I5_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4I5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 aa.

						>X5J4I5_MOUSE|X5J4I5
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCAGPEWYFDVWGTGTTVTVSS
					

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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	68.9	Low	90.6	Very high	147 Å²	147	78.5 Å²	78.5	96%	0.955	46%	0.456	S	S	*	.				0	122.6	0	-13.2	30.2	0	0	0	109.9	T103	P1-T103 CarbonylContact C-O 3.54Å; P1-T103 WeakPolarHBondContact CA-O 3.31Å
2	E	83.4	Confident	91.1	Very high	75 Å²	75	72.5 Å²	72.5	35%	0.35	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.2	-179.6	-159.2	170.8	160.5	0	0	109.5	V4 V10 T103 V104 T105	E2-V4 HydrophobicContact CG-CG1 3.93Å; E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; E2-T103 PolarHBondContact N-O 3.07Å; E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.44Å; E2-T105 PolarHBondContact O-N 2.91Å
3	L	90.5	Very high	91.5	Very high	123 Å²	123	72.7 Å²	72.7	64%	0.644	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.2	177.6	-172	68.5	0	0	0	108.8	T105 S107	L3-T105 WeakPolarHBondContact CA-O 3.29Å; L3-T105 HydrophobicContact CD1-CG2 3.85Å; L3-S107 VanDerWaalsContact CD1-OG 3.29Å; L3-S107 WeakPolarHBondContact CD1-OG 3.42Å
4	V	92.3	Very high	91.8	Very high	16 Å²	16	68.5 Å²	68.5	10%	0.097	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	-173.6	-60.8	0	0	0	0	111.3	E2 A8 L78 V104 T105 V106 S107	E2-V4 HydrophobicContact CG-CG1 3.93Å; V4-A8 HydrophobicContact CB-CB 4.4Å; V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.53Å; V4-V104 HydrophobicContact CG2-CG1 4.03Å; V4-T105 PolarHBondContact N-O 3.49Å; V4-V106 HydrophobicContact CG2-CB 4.28Å; V4-V106 HydrophobicContact CG2-CG1 4.38Å; V4-V106 HydrophobicContact CG2-CG2 3.75Å; V4-V106 WeakPolarHBondContact O-CA 2.97Å; V4-S107 PolarHBondContact O-N 2.66Å
5	K	92	Very high	91.9	Very high	154 Å²	154	74.4 Å²	74.4	67%	0.67	42%	0.423	S	S	*	.			trans	-80.6	151.8	175.5	-65.4	-176.8	179.1	-177	0	110.7	A8	K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.28Å; K5-A8 VanDerWaalsContact O-N 3.15Å
6	P	94.2	Very high	91.8	Very high	76 Å²	76	70.6 Å²	70.6	49%	0.494	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	141.2	169.5	-25.5	33.9	0	0	0	111.9	A8 L78 V106 S107	P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.13Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.16Å; P6-S107 WeakPolarHBondContact CD-O 3.37Å
7	G	92.8	Very high	91.5	Very high	52 Å²	52	71.7 Å²	71.7	54%	0.536	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-13.2	-177.1	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 2.82Å
8	A	94.5	Very high	91	Very high	34 Å²	34	71.7 Å²	71.7	28%	0.281	43%	0.434	S	S	.	.			trans	-67.5	168.4	175.1	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.4Å; K5-A8 WeakPolarHBondContact O-CB 3.42Å; K5-A8 PolarHBondContact O-N 3.28Å; K5-A8 VanDerWaalsContact O-N 3.15Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 3.26Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 WeakPolarHBondContact O-CG 3.46Å; A8-L78 PolarHBondContact O-N 2.86Å
9	S	95.4	Very high	90.5	Very high	65 Å²	65	69.9 Å²	69.9	46%	0.455	42%	0.419	S	S	.	.			trans	-118.1	146.8	171.2	-57.2	0	0	0	0	109.9	L75 S76	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 WeakPolarHBondContact CB-O 3.28Å; S9-S76 WeakPolarHBondContact OG-CA 3.48Å
10	V	95.9	Very high	90.5	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.018	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.4	176.1	61.8	0	0	0	0	110	E2 I12 Q74 L75 L78 V104	E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 VanDerWaalsContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.27Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; V10-I12 HydrophobicContact CG2-CG1 4.14Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.85Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.38Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 2.02Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; V10-V104 HydrophobicContact CG1-CG1 4.48Å; V10-V104 HydrophobicContact CG1-CG2 4.49Å; V10-V104 HydrophobicContact CG2-CG2 4.47Å
11	K	96.8	Very high	90.5	Very high	119 Å²	119	66.2 Å²	66.2	52%	0.517	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.2	173	-174.3	177.5	179.3	-179.8	0	109.7	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; K11-M73 WeakPolarHBondContact CA-O 3.47Å
12	I	96.7	Very high	91.6	Very high	6 Å²	6	62.2 Å²	62.2	3%	0.031	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.1	178.4	-50.8	-176.7	0	0	0	108.3	V10 W28 Y72 M73 L75 Y86 T102 V104	V10-I12 HydrophobicContact CG2-CG1 4.14Å; I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 4.1Å; I12-W28 HydrophobicContact CG2-CZ3 3.77Å; I12-Y72 CarbonylContact O-C 3.58Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; I12-M73 HydrophobicContact CD1-CE 3.73Å; I12-M73 HydrophobicContact CG1-CE 4.42Å; I12-M73 PolarHBondContact N-O 2.8Å; I12-M73 PolarHBondContact O-N 3.27Å; I12-L75 HydrophobicContact CD1-CD1 4.47Å; I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.74Å; I12-T102 HydrophobicContact CG2-CG2 4.33Å; I12-V104 HydrophobicContact CD1-CG2 3.98Å
13	S	96.4	Very high	91.9	Very high	75 Å²	75	61.6 Å²	61.6	52%	0.524	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.2	175.7	61.7	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.35Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å
14	C	95	Very high	91.9	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	114.8	173.3	175.9	0	0	0	0	109.7	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; C14-T70 CarbonylContact O-C 3.14Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 PolarHBondContact N-O 2.85Å; C14-A71 PolarHBondContact O-N 2.95Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15	K	94	Very high	91.9	Very high	157 Å²	157	58 Å²	58	68%	0.683	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.7	177.1	-172.4	173.1	-176	177.1	0	109.6
16	A	90.1	Very high	92	Very high	13 Å²	13	50.8 Å²	50.8	11%	0.107	33%	0.327	C	S	.	.			trans	-74.3	146.1	175.8	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.02Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 3.99Å; A16-M26 HydrophobicContact CB-CE 3.94Å; A16-S69 PolarHBondContact N-O 2.88Å
17	S	86.6	Confident	92.1	Very high	90 Å²	90	47.4 Å²	47.4	63%	0.629	31%	0.305	S	S	*	.			trans	-145.9	147.7	173.2	60.9	0	0	0	0	109.9	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CE1 3.38Å; S17-Y19 PolarHBondContact O-N 2.86Å
18	G	82.5	Confident	92.2	Very high	71 Å²	71	45 Å²	45	73%	0.732	28%	0.28	S	S	*	.	S	Bend	trans	81.6	3.7	174.6	0	0	0	0	0	116.4
19	Y	82.1	Confident	92.3	Very high	38 Å²	38	43.8 Å²	43.8	15%	0.149	27%	0.269	C	S	.	.	S	Bend	trans	-151.7	166.5	174.9	61.1	-88.1	0	0	0	112.5	A16 S17 F21 M26	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.02Å; A16-Y19 WeakPolarHBondContact CB-OH 3.33Å; S17-Y19 WeakPolarHBondContact O-CD1 3.28Å; S17-Y19 WeakPolarHBondContact O-CE1 3.38Å; S17-Y19 PolarHBondContact O-N 2.86Å; Y19-F21 PolarHBondContact O-N 2.99Å; Y19-M26 WeakPolarHBondContact OH-CE 3.39Å
20	A	89.1	Confident	92.4	Very high	56 Å²	56	40.9 Å²	40.9	46%	0.463	25%	0.248	S	C	.	.			trans	-73	94.7	177	0	0	0	0	0	110.9	S22 S23 S24	A20-S22 PolarHBondContact O-N 3.24Å; A20-S23 VanDerWaalsContact CB-OG 3.29Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 PolarHBondContact O-OG 3.12Å; A20-S24 VanDerWaalsContact O-CB 3.31Å; A20-S24 WeakPolarHBondContact O-CB 3.4Å; A20-S24 PolarHBondContact O-N 3.49Å; A20-S24 PolarHBondContact O-OG 2.9Å
21	F	90.5	Very high	92.4	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.031	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.6	-42.8	-175.3	177.2	-110.1	0	0	0	113.5	A16 Y19 S23 S24 M26 P45 A64 S69 T70 A71	A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 3.99Å; Y19-F21 PolarHBondContact O-N 2.99Å; F21-S23 PolarHBondContact O-N 3.11Å; F21-S24 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CD2-CE 4.26Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 3.97Å; F21-P45 HydrophobicContact CE1-CB 3.51Å; F21-P45 HydrophobicContact CE1-CG 3.66Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.58Å; F21-P45 HydrophobicContact CG-CB 4.48Å; F21-P45 HydrophobicContact CG-CG 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.42Å; F21-P45 VanDerWaalsContact CZ-CG 3.42Å; F21-P45 WeakPolarHBondContact O-CD 3.01Å; F21-P45 VanDerWaalsContact O-CG 3.31Å; F21-P45 WeakPolarHBondContact O-CG 3.2Å; F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 3.93Å; F21-S69 VanDerWaalsContact CD1-CA 3.45Å; F21-T70 VanDerWaalsContact CZ-C 3.5Å; F21-A71 HydrophobicContact CE2-CB 4.06Å; F21-A71 HydrophobicContact CZ-CB 4.02Å
22	S	91.8	Very high	92.3	Very high	62 Å²	62	41.8 Å²	41.8	43%	0.434	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-69	-14	-178.4	53.3	0	0	0	0	114.3	A20 G46	A20-S22 PolarHBondContact O-N 3.24Å; S22-G46 WeakPolarHBondContact O-CA 3.15Å; S22-G46 PolarHBondContact O-N 3.06Å; S22-G46 VanDerWaalsContact O-N 3.07Å
23	S	91	Very high	92	Very high	63 Å²	63	47 Å²	47	44%	0.441	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-120.5	20.3	179.9	65.4	0	0	0	0	113.2	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.29Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-S23 PolarHBondContact O-OG 3.12Å; F21-S23 PolarHBondContact O-N 3.11Å; S23-Y44 WeakPolarHBondContact CA-OH 3.49Å; S23-Y44 WeakPolarHBondContact O-CE2 3.43Å
24	S	90.6	Very high	91.8	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	-135.1	137.4	-175.5	-59.9	0	0	0	0	111.5	A20 F21 P45	A20-S24 VanDerWaalsContact O-CB 3.31Å; A20-S24 WeakPolarHBondContact O-CB 3.4Å; A20-S24 PolarHBondContact O-N 3.49Å; A20-S24 PolarHBondContact O-OG 2.9Å; F21-S24 PolarHBondContact O-N 2.8Å; S24-P45 WeakPolarHBondContact O-CD 3.49Å
25	W	92.8	Very high	91.7	Very high	60 Å²	60	53.8 Å²	53.8	23%	0.227	33%	0.329	C	S	.	.			trans	-66.3	135.9	172.1	-70.3	98.9	0	0	0	111	R42 I43 Y44 D49 G90 P91	W25-R42 HydrophobicContact CD2-CG 4.24Å; W25-R42 HydrophobicContact CE3-CB 4.01Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.81Å; W25-I43 WeakPolarHBondContact CA-O 3.06Å; W25-Y44 AromaticContact CD1-CD2 4Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.81Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.07Å; W25-Y44 HydrophobicContact CZ2-CD2 4.33Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.81Å; W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.48Å; W25-D49 WeakPolarHBondContact CZ3-O 3.25Å; W25-G90 CarbonylContact O-C 3.54Å; W25-P91 WeakPolarHBondContact O-CA 3.31Å
26	M	93.6	Very high	91.7	Very high	2 Å²	2	49 Å²	49	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.8	168.3	-179	71.9	78.5	0	0	109	A16 Y19 F21 R42 I43 A71 C88 A89	A16-M26 HydrophobicContact CB-CE 3.94Å; Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; F21-M26 HydrophobicContact CD2-CE 4.26Å; F21-M26 HydrophobicContact CE2-CE 3.9Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.49Å; M26-R42 VanDerWaalsContact O-CB 3.31Å; M26-R42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.06Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 3.17Å; M26-A71 HydrophobicContact CB-CB 4.32Å; M26-A71 HydrophobicContact CE-CB 4.35Å; M26-A71 HydrophobicContact CG-CB 3.86Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.87Å; M26-A89 VanDerWaalsContact SD-O 3.35Å
27	N	95.1	Very high	91.9	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.032	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.9	179	-68.4	-77.9	0	0	0	111.2	W39 R42 C88 A89 G90	N27-W39 PolarHBondContact OD1-NE1 2.82Å; N27-R42 WeakPolarHBondContact OD1-CB 3.48Å; N27-C88 CarbonylContact O-C 3.57Å; N27-C88 WeakPolarHBondContact O-CA 3.06Å; N27-A89 HydrophobicContact CB-CB 4.28Å; N27-A89 PolarHBondContact N-O 2.9Å; N27-A89 PolarHBondContact O-N 2.86Å; N27-G90 PolarHBondContact ND2-O 2.9Å
28	W	96.6	Very high	92.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.8	173.2	-70.4	90.8	0	0	0	110.5	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.13Å; I12-W28 HydrophobicContact CG2-CH2 4.1Å; I12-W28 HydrophobicContact CG2-CZ3 3.77Å; C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.64Å; W28-G41 PolarHBondContact N-O 3.43Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; W28-M73 HydrophobicContact CB-SD 4.13Å; W28-M73 HydrophobicContact CD2-CB 3.74Å; W28-M73 HydrophobicContact CD2-SD 4.19Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.35Å; W28-M73 HydrophobicContact CG-SD 4.23Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.27Å; W28-F87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96.4	Very high	92.9	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.5	-172.2	-176	0	0	0	0	110	L37 E38 Y86 F87 W98	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.11Å; V29-F87 PolarHBondContact O-N 2.8Å; V29-W98 HydrophobicContact CB-CH2 4.31Å; V29-W98 HydrophobicContact CB-CZ3 3.98Å; V29-W98 HydrophobicContact CG1-CH2 4.29Å; V29-W98 HydrophobicContact CG1-CZ3 4.17Å; V29-W98 HydrophobicContact CG2-CH2 3.91Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å
30	K	96.5	Very high	93.7	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.6	174.8	-179.1	177.8	-179.6	175.7	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.41Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 2.7Å; K30-I40 HydrophobicContact CB-CD1 3.83Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; K30-F56 HydrophobicContact CB-CZ 4.42Å; K30-F56 HydrophobicContact CD-CE1 3.86Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; K30-E81 PolarHBondContact NZ-O 2.87Å; K30-D82 IonicContact NZ-OD1 3.46Å; K30-D82 PolarHBondContact NZ-OD1 3.15Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.82Å; K30-Y86 WeakPolarHBondContact CE-OH 3.36Å; K30-Y86 HydrophobicContact CG-CD1 4.21Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å
31	Q	96.6	Very high	94	Very high	74 Å²	74	46.2 Å²	46.2	35%	0.346	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.9	171	-167.3	-178.1	38.3	0	0	110.3	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 2.92Å; Q31-V85 PolarHBondContact N-O 3.22Å; Q31-V85 PolarHBondContact O-N 3.35Å; Q31-F87 HydrophobicContact CB-CD2 4.36Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å
32	R	94.7	Very high	94.3	Very high	67 Å²	67	48.6 Å²	48.6	25%	0.253	28%	0.28	S	S	.	.			trans	-86.8	148.7	171	-69	174.3	174.2	150.2	-13.6	110.2	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.07Å; R32-K35 HydrophobicContact CB-CB 3.97Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact CZ-OE1 3.84Å; R32-E38 IonicContact NH1-OE1 3.25Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; R32-E81 PolarHBondContact NE-O 2.96Å; R32-E81 PolarHBondContact NH2-O 3.06Å; R32-E81 IonicContact NH2-OE2 3.27Å; R32-A84 HydrophobicContact CG-CB 4.16Å
33	P	90.8	Very high	94.5	Very high	117 Å²	117	45.8 Å²	45.8	76%	0.76	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	127.7	173.4	-25.8	34.6	0	0	0	111.6	K35	P33-K35 PolarHBondContact O-N 3.25Å
34	G	91.6	Very high	94.7	Very high	89 Å²	89	45.7 Å²	45.7	92%	0.918	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	11.9	-179.7	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 3.07Å
35	K	93.1	Very high	94.9	Very high	141 Å²	141	45.8 Å²	45.8	61%	0.613	25%	0.251	S	S	*	.	S	Bend	trans	-120.2	160.7	175.4	-58.1	-64.4	-178	-176.9	0	111	R32 P33	R32-K35 HydrophobicContact CB-CB 3.97Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 2.9Å; P33-K35 PolarHBondContact O-N 3.25Å
36	G	92.8	Very high	95	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	25%	0.253	S	S	*	.			trans	-68.1	174.4	173.3	0	0	0	0	0	113.1
37	L	94.5	Very high	95.1	Very high	94 Å²	94	49.7 Å²	49.7	49%	0.492	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.5	173.8	-64	175.6	0	0	0	110.4	V29 Q31 W98	V29-L37 HydrophobicContact CG1-CB 3.76Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; L37-W98 HydrophobicContact CD1-CH2 3.86Å; L37-W98 HydrophobicContact CD1-CZ3 4.36Å
38	E	95.8	Very high	95.1	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.1	175	-63.7	-170.8	-103.6	0	0	109.1	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.25Å; K30-E38 HydrophobicContact CB-CB 4.41Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 2.7Å; R32-E38 IonicContact CZ-OE1 3.84Å; R32-E38 IonicContact NH1-OE1 3.25Å; R32-E38 PolarHBondContact NH1-OE1 2.81Å; E38-I40 PolarHBondContact O-N 2.89Å; E38-K55 IonicContact OE2-NZ 3.92Å; E38-K55 PolarHBondContact OE2-NZ 3.48Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.39Å
39	W	95.8	Very high	95.1	Very high	78 Å²	78	55.4 Å²	55.4	30%	0.295	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.5	175.5	-177.4	81.7	0	0	0	110.5	N27 G41 R42 N51 N53	N27-W39 PolarHBondContact OD1-NE1 2.82Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.45Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.84Å; W39-N51 HydrophobicContact CH2-CB 4.4Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.46Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 3.37Å
40	I	97.1	Very high	95.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-48	-177.7	-68.5	161.7	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.4Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.64Å; K30-I40 HydrophobicContact CB-CD1 3.83Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; E38-I40 PolarHBondContact O-N 2.89Å; I40-N53 PolarHBondContact O-N 3.26Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 3.93Å; I40-F56 HydrophobicContact CG1-CD2 4.08Å; I40-F56 HydrophobicContact CG1-CE1 3.86Å; I40-F56 HydrophobicContact CG1-CE2 4Å; I40-F56 HydrophobicContact CG1-CG 4.03Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.2Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.84Å; I40-M73 HydrophobicContact CD1-CE 4.19Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.98Å
41	G	96.6	Very high	95.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	179.8	-171	0	0	0	0	0	111.8	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.43Å; W39-G41 VanDerWaalsContact CZ2-CA 3.4Å; W39-G41 PolarHBondContact NE1-O 3.45Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å
42	R	96	Very high	95.1	Very high	56 Å²	56	59.9 Å²	59.9	21%	0.211	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.9	175	66.4	-177.5	-176.1	-167.1	1.6	111.6	W25 M26 N27 W39 T50 N51 E92	W25-R42 HydrophobicContact CD2-CG 4.24Å; W25-R42 HydrophobicContact CE3-CB 4.01Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.81Å; M26-R42 CarbonylContact O-C 3.52Å; M26-R42 WeakPolarHBondContact O-CA 3.49Å; M26-R42 VanDerWaalsContact O-CB 3.31Å; M26-R42 WeakPolarHBondContact O-CB 3.42Å; N27-R42 WeakPolarHBondContact OD1-CB 3.48Å; W39-R42 HydrophobicContact CZ2-CB 4.01Å; W39-R42 HydrophobicContact CZ2-CG 3.84Å; R42-T50 WeakPolarHBondContact O-CA 3.42Å; R42-N51 HydrophobicContact CG-CB 4.11Å; R42-N51 PolarHBondContact N-O 2.91Å; R42-N51 PolarHBondContact O-N 3.29Å; R42-E92 IonicContact CZ-OE1 3.92Å; R42-E92 IonicContact NH1-OE1 2.68Å; R42-E92 PolarHBondContact NH1-OE1 3Å
43	I	96.5	Very high	95.2	Very high	4 Å²	4	59 Å²	59	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.4	175.2	-177.2	165.8	0	0	0	110	W25 M26 P45 D49 T50 L62 T63 A64 A71	W25-I43 WeakPolarHBondContact CA-O 3.06Å; M26-I43 HydrophobicContact CB-CG2 4.06Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 3.17Å; I43-P45 WeakPolarHBondContact O-CD 3.36Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 2.97Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 4.02Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-T63 VanDerWaalsContact CD1-C 3.44Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; I43-A71 HydrophobicContact CG2-CB 4.4Å
44	Y	95.6	Very high	95.3	Very high	61 Å²	61	56.5 Å²	56.5	24%	0.239	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.5	168.3	-169.3	-105	0	0	0	108.6	S23 W25 G46 D47 G48 D49	S23-Y44 WeakPolarHBondContact CA-OH 3.49Å; S23-Y44 WeakPolarHBondContact O-CE2 3.43Å; W25-Y44 AromaticContact CD1-CD2 4Å; W25-Y44 AromaticContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CD2 3.95Å; W25-Y44 HydrophobicContact CD2-CG 4.34Å; W25-Y44 AromaticContact CE2-CD2 3.81Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.07Å; W25-Y44 HydrophobicContact CZ2-CD2 4.33Å; W25-Y44 HydrophobicContact CZ2-CG 4.24Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.81Å; Y44-G46 PolarHBondContact O-N 2.91Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.32Å; Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 2.71Å; Y44-D49 PolarHBondContact N-O 3.05Å
45	P	95.3	Very high	95.3	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.032	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.9	-172.5	-25.1	36.9	0	0	0	114.7	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.05Å; F21-P45 HydrophobicContact CD2-CG 3.97Å; F21-P45 HydrophobicContact CE1-CB 3.51Å; F21-P45 HydrophobicContact CE1-CG 3.66Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.58Å; F21-P45 HydrophobicContact CG-CB 4.48Å; F21-P45 HydrophobicContact CG-CG 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.79Å; F21-P45 HydrophobicContact CZ-CG 3.42Å; F21-P45 VanDerWaalsContact CZ-CG 3.42Å; F21-P45 WeakPolarHBondContact O-CD 3.01Å; F21-P45 VanDerWaalsContact O-CG 3.31Å; F21-P45 WeakPolarHBondContact O-CG 3.2Å; S24-P45 WeakPolarHBondContact O-CD 3.49Å; I43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.07Å; P45-K66 HydrophobicContact CB-CG 4.5Å; P45-K66 VanDerWaalsContact O-CD 3.26Å; P45-K66 WeakPolarHBondContact O-CD 3.5Å; P45-K66 WeakPolarHBondContact O-CG 3.21Å
46	G	94.3	Very high	95.4	Very high	25 Å²	25	53.2 Å²	53.2	26%	0.258	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-54.8	-177.7	0	0	0	0	0	112.8	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.15Å; S22-G46 PolarHBondContact O-N 3.06Å; S22-G46 VanDerWaalsContact O-N 3.07Å; Y44-G46 PolarHBondContact O-N 2.91Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; G46-K66 PolarHBondContact O-NZ 3.13Å
47	D	95	Very high	95.4	Very high	119 Å²	119	58.4 Å²	58.4	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-8.9	-179.2	56.8	19.2	0	0	0	113.4	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 3.32Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.24Å; D47-D49 PolarHBondContact OD1-N 2.78Å
48	G	95.2	Very high	95.2	Very high	40 Å²	40	57.2 Å²	57.2	41%	0.412	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	12.5	-179	0	0	0	0	0	114	Y44	Y44-G48 VanDerWaalsContact O-CA 3.26Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 2.71Å
49	D	96.7	Very high	95.2	Very high	87 Å²	87	57.3 Å²	57.3	47%	0.465	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	141.7	176.5	-170.8	24.2	0	0	0	111.1	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.98Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.48Å; W25-D49 WeakPolarHBondContact CZ3-O 3.25Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 2.97Å; Y44-D49 PolarHBondContact N-O 3.05Å; D47-D49 VanDerWaalsContact OD1-CB 3.31Å; D47-D49 WeakPolarHBondContact OD1-CB 3.24Å; D47-D49 PolarHBondContact OD1-N 2.78Å
50	T	97.4	Very high	95.2	Very high	45 Å²	45	53.8 Å²	53.8	28%	0.276	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.5	-175.7	54.2	0	0	0	0	111.6	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 4.02Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; T50-L62 HydrophobicContact CG2-CB 4.02Å
51	N	96.4	Very high	95.3	Very high	80 Å²	80	57 Å²	57	43%	0.428	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	171.2	-170.2	-120.7	0	0	0	109.8	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.4Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.46Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å; R42-N51 HydrophobicContact CG-CB 4.11Å; R42-N51 PolarHBondContact N-O 2.91Å; R42-N51 PolarHBondContact O-N 3.29Å
52	Y	97	Very high	95.3	Very high	55 Å²	55	57.4 Å²	57.4	22%	0.216	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.5	-174.7	-65.4	-90.4	0	0	0	110.5	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.88Å
53	N	95.8	Very high	95.4	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.262	34%	0.337	S	S	.	.			trans	-68.1	135.5	157	-179.4	-22.9	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.99Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 3.37Å; I40-N53 PolarHBondContact O-N 3.26Å; N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 3.06Å
54	G	93.7	Very high	95.4	Very high	63 Å²	63	59.3 Å²	59.3	65%	0.649	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-51.9	-33.2	-177.8	0	0	0	0	0	114	F56 K57	G54-F56 PolarHBondContact O-N 2.81Å; G54-K57 PolarHBondContact O-N 2.98Å
55	K	91.6	Very high	95.5	Very high	151 Å²	151	59.1 Å²	59.1	66%	0.657	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.6	177.1	-68.6	-177.2	178.8	178.7	0	114.3	E38 N53	E38-K55 IonicContact OE2-NZ 3.92Å; E38-K55 PolarHBondContact OE2-NZ 3.48Å; N53-K55 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact OD1-N 2.89Å
56	F	94.1	Very high	95.4	Very high	11 Å²	11	64.6 Å²	64.6	5%	0.048	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-108.9	-3	-174.2	-62.2	-84.8	0	0	0	112.9	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.42Å; K30-F56 HydrophobicContact CD-CE1 3.86Å; K30-F56 HydrophobicContact CD-CZ 3.96Å; E38-F56 HydrophobicContact CB-CE2 4.46Å; E38-F56 HydrophobicContact CB-CZ 4.39Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 3.93Å; I40-F56 HydrophobicContact CG1-CD2 4.08Å; I40-F56 HydrophobicContact CG1-CE1 3.86Å; I40-F56 HydrophobicContact CG1-CE2 4Å; I40-F56 HydrophobicContact CG1-CG 4.03Å; I40-F56 HydrophobicContact CG1-CZ 3.89Å; I40-F56 HydrophobicContact CG2-CB 3.81Å; I40-F56 HydrophobicContact CG2-CD1 4.2Å; I40-F56 HydrophobicContact CG2-CD2 4.41Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.83Å; G54-F56 PolarHBondContact O-N 2.81Å; F56-G58 PolarHBondContact O-N 2.84Å; F56-K59 WeakPolarHBondContact O-CB 2.99Å; F56-K59 PolarHBondContact O-N 2.84Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.47Å
57	K	92.7	Very high	95.3	Very high	164 Å²	164	68.5 Å²	68.5	71%	0.713	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-62.1	124.5	175.6	-166.2	173.5	-175.3	177.5	0	109.4	N53 G54 K59	N53-K57 PolarHBondContact O-N 3.06Å; G54-K57 PolarHBondContact O-N 2.98Å; K57-K59 PolarHBondContact O-N 2.87Å
58	G	91.6	Very high	95.3	Very high	70 Å²	70	64.7 Å²	64.7	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-15.7	-175.5	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.84Å
59	K	94.5	Very high	95.3	Very high	41 Å²	41	64.8 Å²	64.8	18%	0.178	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-40.7	173.5	-176.3	68.1	175.7	-166.8	0	112.1	F56 K57 L75 S76 S77 D82	F56-K59 WeakPolarHBondContact O-CB 2.99Å; F56-K59 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.87Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 2.97Å; K59-S76 WeakPolarHBondContact CE-O 3.2Å; K59-S76 PolarHBondContact NZ-O 2.68Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 2.93Å; K59-S77 VanDerWaalsContact NZ-C 3.34Å; K59-S77 PolarHBondContact NZ-O 2.8Å; K59-D82 WeakPolarHBondContact CE-OD2 3.22Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å
60	A	97.1	Very high	95.3	Very high	3 Å²	3	61.2 Å²	61.2	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.8	179.3	0	0	0	0	0	110.6	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.84Å; Y52-A60 HydrophobicContact CE1-CB 4.34Å; Y52-A60 VanDerWaalsContact CE1-O 3.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.47Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.4Å; A60-Q74 CarbonylContact C-O 3.44Å; A60-Q74 WeakPolarHBondContact CA-O 3.11Å; A60-L75 HydrophobicContact CB-CD2 3.87Å
61	T	97.9	Very high	95.2	Very high	68 Å²	68	59.1 Å²	59.1	42%	0.417	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.2	169.3	-59.1	0	0	0	0	108.5	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-Q74 PolarHBondContact N-O 2.9Å; T61-Q74 PolarHBondContact O-N 3.01Å
62	L	97.9	Very high	95.3	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.1	177.7	-52.2	-177.4	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 4.02Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.88Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.27Å
63	T	97.6	Very high	95.3	Very high	62 Å²	62	55.1 Å²	55.1	38%	0.38	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	163.1	175.9	55.7	0	0	0	0	110	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.44Å; T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 3.17Å; T63-Y72 PolarHBondContact O-N 2.83Å
64	A	97.1	Very high	95.4	Very high	37 Å²	37	57.1 Å²	57.1	31%	0.306	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.6	178	0	0	0	0	0	111.4	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 3.93Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.07Å
65	D	96	Very high	95.5	Very high	57 Å²	57	54.2 Å²	54.2	31%	0.305	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.8	169.2	173.9	11.3	0	0	0	109	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.95Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.28Å; D65-S67 PolarHBondContact OD1-OG 3.32Å; D65-S67 PolarHBondContact OD2-OG 3.15Å; D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.27Å; D65-S68 PolarHBondContact OD2-OG 3.32Å; D65-S69 PolarHBondContact O-N 3.07Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.28Å; D65-T70 PolarHBondContact O-N 3.33Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å
66	K	93.8	Very high	95.7	Very high	120 Å²	120	48.7 Å²	48.7	52%	0.522	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.4	-179.8	-72.4	-178.9	-90.3	-164	0	112.2	P45 G46 S68 S69	P45-K66 HydrophobicContact CB-CG 4.5Å; P45-K66 VanDerWaalsContact O-CD 3.26Å; P45-K66 WeakPolarHBondContact O-CD 3.5Å; P45-K66 WeakPolarHBondContact O-CG 3.21Å; G46-K66 PolarHBondContact O-NZ 3.13Å; K66-S68 PolarHBondContact O-N 3.21Å; K66-S69 PolarHBondContact O-N 3.02Å
67	S	92.8	Very high	95.7	Very high	108 Å²	108	51.9 Å²	51.9	76%	0.755	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.7	-175.3	71.3	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.95Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.28Å; D65-S67 PolarHBondContact OD1-OG 3.32Å; D65-S67 PolarHBondContact OD2-OG 3.15Å
68	S	94.8	Very high	95.8	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.6	178.4	62.8	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 WeakPolarHBondContact OD2-CB 3.27Å; D65-S68 PolarHBondContact OD2-OG 3.32Å; K66-S68 PolarHBondContact O-N 3.21Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 3.43Å
69	S	94.5	Very high	96	Very high	42 Å²	42	43.8 Å²	43.8	29%	0.294	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	41	-172.3	-61.6	0	0	0	0	113	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 2.88Å; F21-S69 VanDerWaalsContact CD1-CA 3.45Å; D65-S69 PolarHBondContact O-N 3.07Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3.02Å
70	T	96.3	Very high	95.9	Very high	13 Å²	13	46 Å²	46	8%	0.08	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.9	-173	-57.8	0	0	0	0	110.6	C14 F21 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.14Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; F21-T70 VanDerWaalsContact CZ-C 3.5Å; D65-T70 PolarHBondContact N-O 3.28Å; D65-T70 PolarHBondContact O-N 3.33Å; S68-T70 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.46Å; S68-T70 PolarHBondContact OG-OG1 3.43Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
71	A	96.6	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	151.8	168.8	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.35Å; C14-A71 PolarHBondContact N-O 2.85Å; C14-A71 PolarHBondContact O-N 2.95Å; F21-A71 HydrophobicContact CE2-CB 4.06Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 4.32Å; M26-A71 HydrophobicContact CE-CB 4.35Å; M26-A71 HydrophobicContact CG-CB 3.86Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; I43-A71 HydrophobicContact CG2-CB 4.4Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	97.6	Very high	95.4	Very high	52 Å²	52	49.3 Å²	49.3	20%	0.204	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.8	177.9	-54.1	-88.6	0	0	0	110.7	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; I12-Y72 CarbonylContact O-C 3.58Å; I12-Y72 WeakPolarHBondContact O-CA 3.41Å; S13-Y72 VanDerWaalsContact CB-CE1 3.49Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; T63-Y72 PolarHBondContact N-O 3.17Å; T63-Y72 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.48Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å
73	M	97.8	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.2	167.5	178	-179.6	67	0	0	108.8	K11 I12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.47Å; I12-M73 HydrophobicContact CD1-CE 3.73Å; I12-M73 HydrophobicContact CG1-CE 4.42Å; I12-M73 PolarHBondContact N-O 2.8Å; I12-M73 PolarHBondContact O-N 3.27Å; W28-M73 HydrophobicContact CB-SD 4.13Å; W28-M73 HydrophobicContact CD2-CB 3.74Å; W28-M73 HydrophobicContact CD2-SD 4.19Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.11Å; W28-M73 HydrophobicContact CG-CB 4.35Å; W28-M73 HydrophobicContact CG-SD 4.23Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.92Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.27Å; I40-M73 HydrophobicContact CD1-CE 4.19Å; I40-M73 HydrophobicContact CD1-SD 3.75Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; A60-M73 HydrophobicContact CB-CG 4.33Å; A60-M73 HydrophobicContact CB-SD 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.27Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.26Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.32Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.05Å
74	Q	97.6	Very high	95.3	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.2	170.1	-174.7	173.6	2.6	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.44Å; A60-Q74 WeakPolarHBondContact CA-O 3.11Å; T61-Q74 PolarHBondContact N-O 2.9Å; T61-Q74 PolarHBondContact O-N 3.01Å
75	L	96.4	Very high	95.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.3	172.2	-63.4	166.8	0	0	0	108.6	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.37Å; S9-L75 WeakPolarHBondContact CB-O 3.28Å; V10-L75 HydrophobicContact CG1-CB 3.85Å; V10-L75 HydrophobicContact CG1-CD1 4.04Å; V10-L75 HydrophobicContact CG1-CG 4.38Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 2.02Å; I12-L75 HydrophobicContact CD1-CD1 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.87Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.26Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.37Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.32Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.05Å
76	S	95.2	Very high	95.4	Very high	35 Å²	35	45.3 Å²	45.3	25%	0.245	26%	0.264	C	S	.	.			trans	-106.7	158.2	-178.4	57.7	0	0	0	0	112.7	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.48Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 2.97Å; K59-S76 WeakPolarHBondContact CE-O 3.2Å; K59-S76 PolarHBondContact NZ-O 2.68Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 VanDerWaalsContact O-N 3.07Å; K59-S76 PolarHBondContact O-OG 2.93Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.88Å
77	S	94.6	Very high	95.5	Very high	78 Å²	78	41 Å²	41	55%	0.545	25%	0.245	S	C	.	.	S	Bend	trans	49.9	49	171.4	-56.2	0	0	0	0	113.3	A8 K59	A8-S77 PolarHBondContact O-N 3.26Å; K59-S77 VanDerWaalsContact NZ-C 3.34Å; K59-S77 PolarHBondContact NZ-O 2.8Å
78	L	94.8	Very high	95.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.214	C	C	.	.			trans	-59.7	141.4	-170.6	-69	170.5	0	0	0	113	V4 P6 G7 A8 V10 L75 S76 D82 V106	V4-L78 HydrophobicContact CB-CD1 4.35Å; V4-L78 HydrophobicContact CG2-CD1 3.53Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.13Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 WeakPolarHBondContact O-CG 3.46Å; A8-L78 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; L78-V106 HydrophobicContact CB-CG1 4.31Å; L78-V106 HydrophobicContact CB-CG2 4Å; L78-V106 HydrophobicContact CD1-CG2 4.46Å
79	T	94.5	Very high	95.4	Very high	64 Å²	64	34.8 Å²	34.8	39%	0.393	20%	0.202	S	C	.	.			trans	-119.9	169.9	173.7	69.3	0	0	0	0	110.4	E81 D82 V106	T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å; T79-V106 WeakPolarHBondContact O-CB 3.26Å; T79-V106 VanDerWaalsContact O-CG2 3.28Å; T79-V106 WeakPolarHBondContact O-CG2 3.44Å
80	S	92.5	Very high	95	Very high	87 Å²	87	32.9 Å²	32.9	61%	0.608	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-54.2	-32.1	176.1	52	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	91.3	Very high	94.2	Very high	130 Å²	130	32.3 Å²	32.3	61%	0.607	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-67.8	-13.6	176.4	-61.8	-170.1	-177.1	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.87Å; R32-E81 PolarHBondContact NE-O 2.96Å; R32-E81 PolarHBondContact NH2-O 3.06Å; R32-E81 IonicContact NH2-OE2 3.27Å; T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	94.3	Very high	92.7	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.059	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-85.4	-4.3	174	-62.7	-46	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V106	K30-D82 IonicContact NZ-OD1 3.46Å; K30-D82 PolarHBondContact NZ-OD1 3.15Å; K59-D82 WeakPolarHBondContact CE-OD2 3.22Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 WeakPolarHBondContact CA-OD2 3.42Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 2.97Å; S80-D82 PolarHBondContact O-N 2.96Å; D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 2.77Å; D82-V106 HydrophobicContact CB-CG2 4.26Å
83	S	96	Very high	91.1	Very high	34 Å²	34	43.1 Å²	43.1	24%	0.238	23%	0.23	C	C	.	.			trans	-65.9	113.2	172.2	-55.7	0	0	0	0	110.4	S80 E81 V104 V106	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V104 CarbonylContact C-O 3.59Å; S83-V104 VanDerWaalsContact CA-O 3.27Å; S83-V104 WeakPolarHBondContact CA-O 3.47Å; S83-V106 PolarHBondContact OG-N 3.25Å
84	A	96.8	Very high	89.4	Confident	6 Å²	6	47.8 Å²	47.8	5%	0.05	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	171.3	-171.8	0	0	0	0	0	111.1	K30 Q31 R32 D82 Y86 V104	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 2.92Å; R32-A84 HydrophobicContact CG-CB 4.16Å; D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-V104 PolarHBondContact N-O 2.88Å; A84-V104 PolarHBondContact O-N 3.4Å
85	V	97.4	Very high	87.6	Confident	37 Å²	37	48.2 Å²	48.2	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.5	161.2	-169.5	0	0	0	0	108.4	Q31 F87	Q31-V85 PolarHBondContact N-O 3.22Å; Q31-V85 PolarHBondContact O-N 3.35Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD1 4.48Å; V85-F87 HydrophobicContact CG1-CD2 4.26Å; V85-F87 HydrophobicContact CG1-CE1 3.81Å; V85-F87 HydrophobicContact CG1-CE2 3.56Å; V85-F87 HydrophobicContact CG1-CZ 3.3Å
86	Y	97.3	Very high	86.2	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.8	178.8	-66.9	-88.5	0	0	0	109.7	I12 V29 K30 I40 M73 L75 D82 A84 G101 T102 V104	I12-Y86 HydrophobicContact CD1-CD2 3.89Å; I12-Y86 HydrophobicContact CD1-CG 3.74Å; V29-Y86 CarbonylContact O-C 3.51Å; V29-Y86 WeakPolarHBondContact O-CA 3.02Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.82Å; K30-Y86 WeakPolarHBondContact CE-OH 3.36Å; K30-Y86 HydrophobicContact CG-CD1 4.21Å; K30-Y86 HydrophobicContact CG-CE1 3.69Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.98Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.05Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 4.05Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 2.77Å; A84-Y86 HydrophobicContact CB-CD2 4.42Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.28Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; Y86-T102 PolarHBondContact N-O 2.61Å; Y86-T102 PolarHBondContact O-N 3.04Å; Y86-V104 HydrophobicContact CD2-CB 4.11Å; Y86-V104 HydrophobicContact CD2-CG2 3.82Å; Y86-V104 HydrophobicContact CE2-CB 3.88Å; Y86-V104 HydrophobicContact CE2-CG2 4.02Å
87	F	96	Very high	85.4	Confident	31 Å²	31	56.1 Å²	56.1	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.1	-178.3	-58.5	-86.3	0	0	0	110.3	W28 V29 Q31 V85 W98 G99 G101	W28-F87 WeakPolarHBondContact CA-O 3.49Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.11Å; V29-F87 PolarHBondContact O-N 2.8Å; Q31-F87 HydrophobicContact CB-CD2 4.36Å; Q31-F87 HydrophobicContact CB-CE2 3.76Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.88Å; V85-F87 HydrophobicContact CG1-CD1 4.48Å; V85-F87 HydrophobicContact CG1-CD2 4.26Å; V85-F87 HydrophobicContact CG1-CE1 3.81Å; V85-F87 HydrophobicContact CG1-CE2 3.56Å; V85-F87 HydrophobicContact CG1-CZ 3.3Å; F87-W98 HydrophobicContact CB-CE3 3.76Å; F87-W98 HydrophobicContact CB-CZ3 3.92Å; F87-W98 HydrophobicContact CG-CE3 4.17Å; F87-W98 HydrophobicContact CG-CZ3 4.38Å; F87-G99 WeakPolarHBondContact CD1-O 3.31Å; F87-G101 VanDerWaalsContact CD1-CA 3.41Å
88	C	94.4	Very high	85.1	Confident	13 Å²	13	57.4 Å²	57.4	9%	0.088	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	151	158.6	58.6	0	0	0	0	109.4	C14 M26 N27 W28 G99	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.31Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.87Å; N27-C88 CarbonylContact O-C 3.57Å; N27-C88 WeakPolarHBondContact O-CA 3.06Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; C88-G99 PolarHBondContact O-N 3.11Å
89	A	91.9	Very high	84.9	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.8	175.4	0	0	0	0	0	110.6	M26 N27 V97 W98	M26-A89 VanDerWaalsContact SD-O 3.35Å; N27-A89 HydrophobicContact CB-CB 4.28Å; N27-A89 PolarHBondContact N-O 2.9Å; N27-A89 PolarHBondContact O-N 2.86Å; A89-V97 WeakPolarHBondContact CA-O 3.26Å; A89-W98 HydrophobicContact CB-CD2 3.93Å; A89-W98 HydrophobicContact CB-CE3 4.16Å; A89-W98 HydrophobicContact CB-CG 4.37Å; A89-W98 HydrophobicContact CB-CH2 4.43Å; A89-W98 HydrophobicContact CB-CZ2 4.22Å; A89-W98 HydrophobicContact CB-CZ3 4.41Å
90	G	86.1	Confident	84.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.01	32%	0.32	C	S	.	.			trans	-63.4	-175.2	177.9	0	0	0	0	0	114.6	W25 N27 V97	W25-G90 CarbonylContact O-C 3.54Å; N27-G90 PolarHBondContact ND2-O 2.9Å; G90-V97 PolarHBondContact N-O 2.89Å
91	P	79.5	Confident	84.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	30%	0.302	C	S	.	.			trans	-67.4	165.5	179.6	28.6	-35.5	0	0	0	112.7	W25 W93 Y94 F95	W25-P91 WeakPolarHBondContact O-CA 3.31Å; P91-W93 VanDerWaalsContact C-N 3.27Å; P91-W93 HydrophobicContact CB-CD2 4.38Å; P91-W93 HydrophobicContact CB-CZ2 3.88Å; P91-W93 HydrophobicContact CG-CD2 4.14Å; P91-W93 HydrophobicContact CG-CE3 4.31Å; P91-W93 HydrophobicContact CG-CH2 3.65Å; P91-W93 HydrophobicContact CG-CZ2 3.47Å; P91-W93 VanDerWaalsContact CG-CZ2 3.47Å; P91-W93 HydrophobicContact CG-CZ3 4.08Å; P91-W93 PolarHBondContact O-N 3.04Å; P91-W93 VanDerWaalsContact O-N 3.17Å; P91-Y94 CarbonylContact O-C 3.57Å; P91-Y94 VanDerWaalsContact O-CA 3.31Å; P91-Y94 WeakPolarHBondContact O-CA 3.33Å; P91-Y94 PolarHBondContact O-N 3.37Å; P91-F95 PolarHBondContact O-N 3.27Å
92	E	65.8	Low	85	Confident	110 Å²	110	55.6 Å²	55.6	51%	0.514	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.1	-24.1	-168.8	-59.1	-179.4	163.7	0	0	115.2	R42 F95	R42-E92 IonicContact CZ-OE1 3.92Å; R42-E92 IonicContact NH1-OE1 2.68Å; R42-E92 PolarHBondContact NH1-OE1 3Å; E92-F95 HydrophobicContact CB-CD2 4.32Å; E92-F95 HydrophobicContact CB-CE2 3.53Å; E92-F95 HydrophobicContact CB-CZ 3.81Å; E92-F95 HydrophobicContact CG-CE2 3.91Å; E92-F95 HydrophobicContact CG-CZ 3.64Å; E92-F95 WeakPolarHBondContact O-CD2 3.36Å; E92-F95 VanDerWaalsContact O-CE2 3.25Å; E92-F95 WeakPolarHBondContact O-CE2 3.44Å
93	W	63.2	Low	85.1	Confident	170 Å²	170	57.7 Å²	57.7	64%	0.644	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-87	5.9	173.6	41.4	-93.7	0	0	0	112.6	P91	P91-W93 VanDerWaalsContact C-N 3.27Å; P91-W93 HydrophobicContact CB-CD2 4.38Å; P91-W93 HydrophobicContact CB-CZ2 3.88Å; P91-W93 HydrophobicContact CG-CD2 4.14Å; P91-W93 HydrophobicContact CG-CE3 4.31Å; P91-W93 HydrophobicContact CG-CH2 3.65Å; P91-W93 HydrophobicContact CG-CZ2 3.47Å; P91-W93 VanDerWaalsContact CG-CZ2 3.47Å; P91-W93 HydrophobicContact CG-CZ3 4.08Å; P91-W93 PolarHBondContact O-N 3.04Å; P91-W93 VanDerWaalsContact O-N 3.17Å
94	Y	61.5	Low	85.1	Confident	98 Å²	98	56 Å²	56	38%	0.384	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-145.5	40.4	-175.2	-124.4	-103.6	0	0	0	111	P91 D96 V97	P91-Y94 CarbonylContact O-C 3.57Å; P91-Y94 VanDerWaalsContact O-CA 3.31Å; P91-Y94 WeakPolarHBondContact O-CA 3.33Å; P91-Y94 PolarHBondContact O-N 3.37Å; Y94-D96 PolarHBondContact O-N 3.19Å; Y94-V97 HydrophobicContact CD1-CB 4.34Å; Y94-V97 HydrophobicContact CD1-CG2 3.5Å; Y94-V97 VanDerWaalsContact CD1-CG2 3.5Å; Y94-V97 HydrophobicContact CE1-CG2 3.76Å; Y94-V97 PolarHBondContact O-N 3.38Å
95	F	60.9	Low	85.1	Confident	99 Å²	99	58.5 Å²	58.5	43%	0.434	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.1	-179.6	-83.5	-62	0	0	0	114.2	P91 E92 V97 W98	P91-F95 PolarHBondContact O-N 3.27Å; E92-F95 HydrophobicContact CB-CD2 4.32Å; E92-F95 HydrophobicContact CB-CE2 3.53Å; E92-F95 HydrophobicContact CB-CZ 3.81Å; E92-F95 HydrophobicContact CG-CE2 3.91Å; E92-F95 HydrophobicContact CG-CZ 3.64Å; E92-F95 WeakPolarHBondContact O-CD2 3.36Å; E92-F95 VanDerWaalsContact O-CE2 3.25Å; E92-F95 WeakPolarHBondContact O-CE2 3.44Å; F95-V97 PolarHBondContact O-N 3.34Å; F95-W98 PolarHBondContact O-NE1 3.37Å
96	D	66.8	Low	84.9	Confident	149 Å²	149	57.2 Å²	57.2	80%	0.797	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18	179.9	-36.7	-24.8	0	0	0	111.5	Y94	Y94-D96 PolarHBondContact O-N 3.19Å
97	V	77.6	Confident	84.5	Confident	54 Å²	54	59.4 Å²	59.4	33%	0.327	31%	0.311	S	S	.	.			trans	-98.2	103.6	-176.3	-177.3	0	0	0	0	110.7	A89 G90 Y94 F95	A89-V97 WeakPolarHBondContact CA-O 3.26Å; G90-V97 PolarHBondContact N-O 2.89Å; Y94-V97 HydrophobicContact CD1-CB 4.34Å; Y94-V97 HydrophobicContact CD1-CG2 3.5Å; Y94-V97 VanDerWaalsContact CD1-CG2 3.5Å; Y94-V97 HydrophobicContact CE1-CG2 3.76Å; Y94-V97 PolarHBondContact O-N 3.38Å; F95-V97 PolarHBondContact O-N 3.34Å
98	W	88.9	Confident	83.5	Confident	105 Å²	105	65.6 Å²	65.6	40%	0.398	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-111.5	143.9	173.8	-70.2	68.7	0	0	0	110.7	V29 L37 F87 A89 F95	V29-W98 HydrophobicContact CB-CH2 4.31Å; V29-W98 HydrophobicContact CB-CZ3 3.98Å; V29-W98 HydrophobicContact CG1-CH2 4.29Å; V29-W98 HydrophobicContact CG1-CZ3 4.17Å; V29-W98 HydrophobicContact CG2-CH2 3.91Å; V29-W98 HydrophobicContact CG2-CZ3 3.96Å; L37-W98 HydrophobicContact CD1-CH2 3.86Å; L37-W98 HydrophobicContact CD1-CZ3 4.36Å; F87-W98 HydrophobicContact CB-CE3 3.76Å; F87-W98 HydrophobicContact CB-CZ3 3.92Å; F87-W98 HydrophobicContact CG-CE3 4.17Å; F87-W98 HydrophobicContact CG-CZ3 4.38Å; A89-W98 HydrophobicContact CB-CD2 3.93Å; A89-W98 HydrophobicContact CB-CE3 4.16Å; A89-W98 HydrophobicContact CB-CG 4.37Å; A89-W98 HydrophobicContact CB-CH2 4.43Å; A89-W98 HydrophobicContact CB-CZ2 4.22Å; A89-W98 HydrophobicContact CB-CZ3 4.41Å; F95-W98 PolarHBondContact O-NE1 3.37Å
99	G	89.7	Confident	82.9	Confident	25 Å²	25	68.3 Å²	68.3	26%	0.258	37%	0.372	S	S	.	.			trans	-65.5	157.7	163.9	0	0	0	0	0	111	F87 C88 G101	F87-G99 WeakPolarHBondContact CD1-O 3.31Å; C88-G99 PolarHBondContact O-N 3.11Å; G99-G101 PolarHBondContact O-N 2.81Å; G99-G101 VanDerWaalsContact O-N 3.13Å
100	T	91.6	Very high	82.5	Confident	149 Å²	149	71.7 Å²	71.7	91%	0.914	39%	0.391	S	S	*	.			trans	-64.7	-15.9	178.6	51.5	0	0	0	0	113.9
101	G	93.7	Very high	82.3	Confident	22 Å²	22	75.7 Å²	75.7	23%	0.227	41%	0.412	C	S	.	.			trans	87.8	146.9	178.8	0	0	0	0	0	113.4	Y86 F87 G99	Y86-G101 CarbonylContact O-C 3.54Å; Y86-G101 VanDerWaalsContact O-CA 3.28Å; Y86-G101 WeakPolarHBondContact O-CA 3.29Å; F87-G101 VanDerWaalsContact CD1-CA 3.41Å; G99-G101 PolarHBondContact O-N 2.81Å; G99-G101 VanDerWaalsContact O-N 3.13Å
102	T	96.2	Very high	82.4	Confident	47 Å²	47	80.1 Å²	80.1	29%	0.288	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.2	176.8	-61.1	0	0	0	0	109.1	I12 Y86 V104	I12-T102 HydrophobicContact CG2-CG2 4.33Å; Y86-T102 PolarHBondContact N-O 2.61Å; Y86-T102 PolarHBondContact O-N 3.04Å; T102-V104 HydrophobicContact CG2-CG2 4.42Å; T102-V104 PolarHBondContact O-N 3.46Å
103	T	96.9	Very high	83.5	Confident	55 Å²	55	78.2 Å²	78.2	34%	0.337	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.7	171.9	-48	0	0	0	0	109.9	P1 E2	P1-T103 CarbonylContact C-O 3.54Å; P1-T103 WeakPolarHBondContact CA-O 3.31Å; E2-T103 PolarHBondContact N-O 3.07Å
104	V	95.9	Very high	84.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.7	169	178.4	0	0	0	0	107.9	E2 V4 V10 I12 S83 A84 Y86 T102 V106	E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.44Å; V4-V104 HydrophobicContact CG2-CG1 4.03Å; V10-V104 HydrophobicContact CG1-CG1 4.48Å; V10-V104 HydrophobicContact CG1-CG2 4.49Å; V10-V104 HydrophobicContact CG2-CG2 4.47Å; I12-V104 HydrophobicContact CD1-CG2 3.98Å; S83-V104 CarbonylContact C-O 3.59Å; S83-V104 VanDerWaalsContact CA-O 3.27Å; S83-V104 WeakPolarHBondContact CA-O 3.47Å; A84-V104 PolarHBondContact N-O 2.88Å; A84-V104 PolarHBondContact O-N 3.4Å; Y86-V104 HydrophobicContact CD2-CB 4.11Å; Y86-V104 HydrophobicContact CD2-CG2 3.82Å; Y86-V104 HydrophobicContact CE2-CB 3.88Å; Y86-V104 HydrophobicContact CE2-CG2 4.02Å; T102-V104 HydrophobicContact CG2-CG2 4.42Å; T102-V104 PolarHBondContact O-N 3.46Å; V104-V106 HydrophobicContact CG1-CG2 4.44Å
105	T	95.7	Very high	86.5	Confident	58 Å²	58	70.2 Å²	70.2	36%	0.356	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.4	177.6	-58.1	0	0	0	0	108.9	E2 L3 V4	E2-T105 PolarHBondContact O-N 2.91Å; L3-T105 WeakPolarHBondContact CA-O 3.29Å; L3-T105 HydrophobicContact CD1-CG2 3.85Å; V4-T105 PolarHBondContact N-O 3.49Å
106	V	93.8	Very high	88.4	Confident	10 Å²	10	68 Å²	68	6%	0.061	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110	178.5	-169.2	0	0	0	0	108.7	V4 P6 L78 T79 D82 S83 V104	V4-V106 HydrophobicContact CG2-CB 4.28Å; V4-V106 HydrophobicContact CG2-CG1 4.38Å; V4-V106 HydrophobicContact CG2-CG2 3.75Å; V4-V106 WeakPolarHBondContact O-CA 2.97Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.16Å; L78-V106 HydrophobicContact CB-CG1 4.31Å; L78-V106 HydrophobicContact CB-CG2 4Å; L78-V106 HydrophobicContact CD1-CG2 4.46Å; T79-V106 WeakPolarHBondContact O-CB 3.26Å; T79-V106 VanDerWaalsContact O-CG2 3.28Å; T79-V106 WeakPolarHBondContact O-CG2 3.44Å; D82-V106 HydrophobicContact CB-CG2 4.26Å; S83-V106 PolarHBondContact OG-N 3.25Å; V104-V106 HydrophobicContact CG1-CG2 4.44Å
107	S	89.1	Confident	90.3	Very high	48 Å²	48	61.3 Å²	61.3	34%	0.336	39%	0.386	S	S	.	.			trans	-129.2	141.4	-178	64.5	0	0	0	0	111.6	L3 V4 P6	L3-S107 VanDerWaalsContact CD1-OG 3.29Å; L3-S107 WeakPolarHBondContact CD1-OG 3.42Å; V4-S107 PolarHBondContact O-N 2.66Å; P6-S107 WeakPolarHBondContact CD-O 3.37Å
108	S	73.9	Confident	91.4	Very high	162 Å²	162	61.9 Å²	61.9	100%	1.133	39%	0.392	S	S	*	.			trans	-67.3	0	171.9	56.7	0	0	0	0	112.4

Retrieved 108 of 108 residues in 25 ms (Link to these results)

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