X5J569_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J569, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J569_MOUSE|X5J569
ESGAELVRPGASVKLSCKASGYTFTSYWINWVKQRPGQGLEWIGMIHPSDSETRLNQKFKRKATLTVDKSSSTAYMQFSSLTTEDSAIYYCARWSGAYTMDYWGQGT
					

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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	E	47.8	Very low	74.2	Confident	176 Å²	176	98.8 Å²	98.8	82%	0.822	58%	0.58	S	S	*	*				0	133.1	0	-98.6	157.6	124.7	0	0	108.9	Q105	E1-Q105 WeakPolarHBondContact CG-O 3.44Å
2	S	56.3	Low	75.7	Confident	20 Å²	20	95.7 Å²	95.7	14%	0.14	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-66.9	149	157.2	42.2	0	0	0	0	107.9	T107	S2-T107 WeakPolarHBondContact CB-OG1 3.45Å; S2-T107 WeakPolarHBondContact O-CB 3.43Å; S2-T107 WeakPolarHBondContact O-CG2 3.41Å; S2-T107 PolarHBondContact O-OG1 3.34Å; S2-T107 PolarHBondContact OG-OG1 2.94Å
3	G	60.6	Low	76.9	Confident	52 Å²	52	89.2 Å²	89.2	54%	0.536	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-93.4	171.2	177	0	0	0	0	0	111.4	E5 T107	G3-E5 PolarHBondContact O-N 3.22Å; G3-T107 VanDerWaalsContact C-CB 3.47Å; G3-T107 VanDerWaalsContact O-CB 3.23Å; G3-T107 WeakPolarHBondContact O-CB 3.01Å; G3-T107 PolarHBondContact O-OG1 3.44Å
4	A	67.5	Low	78.1	Confident	105 Å²	105	90.9 Å²	90.9	87%	0.868	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-53.8	116.7	175.5	0	0	0	0	0	110.9
5	E	74.1	Confident	79.2	Confident	106 Å²	106	85.1 Å²	85.1	50%	0.495	49%	0.493	S	S	.	.			trans	-109.3	107.7	-174.6	-152.8	-179.2	161.5	0	0	110.4	G3 V7	G3-E5 PolarHBondContact O-N 3.22Å; E5-V7 HydrophobicContact CB-CG1 4.42Å; E5-V7 HydrophobicContact CG-CG1 3.74Å; E5-V7 PolarHBondContact O-N 2.68Å
6	L	78.4	Confident	80.1	Confident	179 Å²	179	81.8 Å²	81.8	94%	0.937	48%	0.476	S	S	*	.			trans	-83.6	108.9	171.3	-176.4	68.6	0	0	0	109.1
7	V	82.5	Confident	80.8	Confident	48 Å²	48	77.7 Å²	77.7	29%	0.291	45%	0.453	S	S	.	.			trans	-118.5	151.4	-178.2	-64.6	0	0	0	0	112.5	E5 A11 V13 L81	E5-V7 HydrophobicContact CB-CG1 4.42Å; E5-V7 HydrophobicContact CG-CG1 3.74Å; E5-V7 PolarHBondContact O-N 2.68Å; V7-A11 HydrophobicContact CB-CB 4.29Å; V7-V13 HydrophobicContact CB-CG1 4.12Å; V7-V13 HydrophobicContact CG1-CG1 3.43Å; V7-V13 VanDerWaalsContact CG1-CG1 3.43Å; V7-V13 HydrophobicContact CG2-CG1 3.81Å; V7-L81 HydrophobicContact CB-CD1 4.47Å; V7-L81 HydrophobicContact CG2-CD1 3.38Å
8	R	83.4	Confident	81.5	Confident	212 Å²	212	81.5 Å²	81.5	80%	0.8	46%	0.463	S	S	*	.			trans	-73.9	148	177.7	-63.2	-178.5	-177.8	-178.3	0.5	110.4	G10 A11	R8-G10 PolarHBondContact O-N 3.49Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 3.23Å; R8-A11 VanDerWaalsContact O-N 3.08Å
9	P	86.2	Confident	81.9	Confident	102 Å²	102	77.8 Å²	77.8	66%	0.662	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	140.7	168.9	-25.3	34.4	0	0	0	111.6	A11	P9-A11 PolarHBondContact O-N 2.91Å
10	G	87.7	Confident	82.1	Confident	53 Å²	53	78.2 Å²	78.2	55%	0.546	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-14.4	-175.4	0	0	0	0	0	114.7	R8 L81	R8-G10 PolarHBondContact O-N 3.49Å; G10-L81 PolarHBondContact N-O 2.76Å
11	A	91.4	Very high	82.3	Confident	34 Å²	34	78.5 Å²	78.5	28%	0.281	47%	0.471	S	S	.	.			trans	-67.9	171.3	173.9	0	0	0	0	0	111.8	V7 R8 P9 S80 L81	V7-A11 HydrophobicContact CB-CB 4.29Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 3.23Å; R8-A11 VanDerWaalsContact O-N 3.08Å; P9-A11 PolarHBondContact O-N 2.91Å; A11-S80 PolarHBondContact O-N 2.85Å; A11-L81 WeakPolarHBondContact O-CG 3.39Å; A11-L81 PolarHBondContact O-N 2.85Å
12	S	92.3	Very high	84	Confident	61 Å²	61	72.2 Å²	72.2	43%	0.427	44%	0.44	S	S	.	.			trans	-125.3	141.9	173.8	-50.9	0	0	0	0	109.2	F78 S79	S12-F78 CarbonylContact C-O 3.6Å; S12-F78 WeakPolarHBondContact CA-O 3.49Å; S12-S79 WeakPolarHBondContact OG-CA 2.95Å
13	V	92	Very high	85.7	Confident	12 Å²	12	75.5 Å²	75.5	7%	0.073	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.6	178.4	-67.2	0	0	0	0	110.7	V7 L15 Q77 F78 L81	V7-V13 HydrophobicContact CB-CG1 4.12Å; V7-V13 HydrophobicContact CG1-CG1 3.43Å; V7-V13 VanDerWaalsContact CG1-CG1 3.43Å; V7-V13 HydrophobicContact CG2-CG1 3.81Å; V13-L15 HydrophobicContact CB-CD2 4.36Å; V13-L15 HydrophobicContact CG2-CD2 4.11Å; V13-L15 HydrophobicContact CG2-CG 4.39Å; V13-Q77 WeakPolarHBondContact O-CA 3.49Å; V13-Q77 PolarHBondContact O-NE2 3.06Å; V13-F78 HydrophobicContact CG2-CB 4Å; V13-F78 PolarHBondContact N-O 2.79Å; V13-F78 PolarHBondContact O-N 3.31Å; V13-L81 HydrophobicContact CB-CD1 4.31Å; V13-L81 HydrophobicContact CG1-CD1 3.69Å; V13-L81 HydrophobicContact CG2-CD1 3.88Å; V13-L81 HydrophobicContact CG2-CD2 4.46Å
14	K	93.7	Very high	87.1	Confident	113 Å²	113	73.3 Å²	73.3	49%	0.491	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.2	174.5	-170.5	179.1	178.2	-176.8	0	109.6	Y75 M76	K14-Y75 HydrophobicContact CD-CD1 4.44Å; K14-Y75 HydrophobicContact CG-CD1 4.38Å; K14-M76 WeakPolarHBondContact CA-O 3.43Å
15	L	93.5	Very high	88.3	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	147.9	177.9	-50.9	-170.1	0	0	0	110.1	V13 W31 Y75 M76 Y89 T107	V13-L15 HydrophobicContact CB-CD2 4.36Å; V13-L15 HydrophobicContact CG2-CD2 4.11Å; V13-L15 HydrophobicContact CG2-CG 4.39Å; L15-W31 HydrophobicContact CB-CH2 3.92Å; L15-W31 HydrophobicContact CB-CZ3 3.71Å; L15-W31 HydrophobicContact CD1-CZ3 4.37Å; L15-Y75 CarbonylContact O-C 3.54Å; L15-Y75 WeakPolarHBondContact O-CA 3.09Å; L15-M76 HydrophobicContact CD1-CE 3.53Å; L15-M76 HydrophobicContact CG-CE 4.23Å; L15-M76 PolarHBondContact N-O 2.8Å; L15-M76 PolarHBondContact O-N 2.77Å; L15-Y89 VanDerWaalsContact CD1-CB 3.45Å; L15-Y89 HydrophobicContact CD1-CD1 4Å; L15-Y89 HydrophobicContact CD1-CD2 3.98Å; L15-Y89 HydrophobicContact CD1-CG 3.52Å; L15-T107 WeakPolarHBondContact CD1-O 3.47Å; L15-T107 WeakPolarHBondContact CD2-O 3.34Å
16	S	94.2	Very high	89.1	Confident	32 Å²	32	69.1 Å²	69.1	22%	0.224	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	-179.2	69.4	0	0	0	0	111.8	A74	S16-A74 CarbonylContact C-O 3.57Å; S16-A74 WeakPolarHBondContact CA-O 3.32Å
17	C	92.4	Very high	89.6	Confident	12 Å²	12	63.9 Å²	63.9	8%	0.081	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	101.3	179.2	-178.2	0	0	0	0	109.1	W31 T73 A74 C91	C17-W31 HydrophobicContact CB-CH2 3.76Å; C17-W31 HydrophobicContact CB-CZ2 3.75Å; C17-T73 CarbonylContact O-C 2.87Å; C17-T73 WeakPolarHBondContact O-CA 3.33Å; C17-A74 HydrophobicContact CB-CB 4.33Å; C17-A74 PolarHBondContact N-O 3.07Å; C17-A74 PolarHBondContact O-N 3.16Å; C17-C91 HydrophobicContact CB-CB 3.45Å; C17-C91 VanDerWaalsContact CB-CB 3.45Å; C17-C91 WeakPolarHBondContact CB-SG 3.38Å; C17-C91 WeakPolarHBondContact SG-CB 3.41Å; C17-C91 CovalentContact SG-SG 2.01Å; C17-C91 PolarHBondContact SG-SG 3.13Å
18	K	92.8	Very high	90.1	Very high	146 Å²	146	63.2 Å²	63.2	64%	0.635	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.3	-179.7	-173.5	171.7	-176.6	179.2	0	110.2	T73	K18-T73 HydrophobicContact CB-CG2 4.45Å
19	A	89.2	Confident	90.6	Very high	11 Å²	11	53.2 Å²	53.2	9%	0.091	33%	0.332	C	S	.	.			trans	-73.5	146.2	173.8	0	0	0	0	0	111.5	Y22 F24 S72	A19-Y22 HydrophobicContact CB-CE1 3.92Å; A19-Y22 HydrophobicContact CB-CE2 3.75Å; A19-Y22 VanDerWaalsContact CB-OH 3.26Å; A19-Y22 WeakPolarHBondContact CB-OH 3.31Å; A19-F24 HydrophobicContact CB-CB 3.98Å; A19-F24 HydrophobicContact CB-CD2 3.42Å; A19-F24 VanDerWaalsContact CB-CD2 3.42Å; A19-F24 HydrophobicContact CB-CE2 4.17Å; A19-F24 HydrophobicContact CB-CG 4Å; A19-S72 WeakPolarHBondContact CB-O 3.1Å; A19-S72 PolarHBondContact N-O 3.02Å
20	S	86.6	Confident	90.9	Very high	86 Å²	86	49.1 Å²	49.1	60%	0.601	31%	0.305	S	S	*	.			trans	-146.7	136.8	177.9	175.6	0	0	0	0	108.8	Y22	S20-Y22 WeakPolarHBondContact O-CD1 3.45Å; S20-Y22 WeakPolarHBondContact O-CE1 3.1Å; S20-Y22 PolarHBondContact O-N 3.29Å
21	G	85.9	Confident	91.3	Very high	85 Å²	85	46.6 Å²	46.6	88%	0.876	28%	0.279	S	S	*	.	S	Bend	trans	75.1	15.8	173.8	0	0	0	0	0	116
22	Y	83.8	Confident	91.4	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-156.3	163.2	173.7	61.7	-88.7	0	0	0	112.7	A19 S20 F24 Y27 R93	A19-Y22 HydrophobicContact CB-CE1 3.92Å; A19-Y22 HydrophobicContact CB-CE2 3.75Å; A19-Y22 VanDerWaalsContact CB-OH 3.26Å; A19-Y22 WeakPolarHBondContact CB-OH 3.31Å; S20-Y22 WeakPolarHBondContact O-CD1 3.45Å; S20-Y22 WeakPolarHBondContact O-CE1 3.1Å; S20-Y22 PolarHBondContact O-N 3.29Å; Y22-F24 HydrophobicContact CE2-CD2 4.42Å; Y22-F24 PolarHBondContact O-N 3.45Å; Y22-F24 VanDerWaalsContact O-N 3.08Å; Y22-Y27 AromaticContact CD2-CD2 3.65Å; Y22-Y27 HydrophobicContact CD2-CD2 3.65Å; Y22-Y27 HydrophobicContact CD2-CE2 4.05Å; Y22-Y27 HydrophobicContact CE2-CD2 4.2Å; Y22-Y27 HydrophobicContact CG-CD2 4.48Å; Y22-Y27 HydrophobicContact CG-CE2 4.49Å; Y22-R93 VanDerWaalsContact CB-NH1 3.34Å; Y22-R93 VanDerWaalsContact CD1-NH1 3.3Å; Y22-R93 HydrophobicContact CE2-CG 4.14Å; Y22-R93 VanDerWaalsContact CG-NH1 3.31Å
23	T	90.8	Very high	91.4	Very high	88 Å²	88	42.7 Å²	42.7	54%	0.54	25%	0.249	S	C	.	.			trans	-69.2	101.7	171.4	-53	0	0	0	0	109.8	T25 S26 Y27	T23-T25 PolarHBondContact O-N 2.71Å; T23-T25 VanDerWaalsContact O-N 3.13Å; T23-S26 WeakPolarHBondContact CB-OG 3.44Å; T23-S26 VanDerWaalsContact CG2-OG 3.31Å; T23-S26 WeakPolarHBondContact CG2-OG 3.49Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 2.73Å; T23-Y27 WeakPolarHBondContact O-CD2 3.42Å
24	F	90.6	Very high	91.3	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-52.6	-37.2	-174.8	177.7	-125.1	0	0	0	113.7	A19 Y22 S26 I29 P48 V67 A74	A19-F24 HydrophobicContact CB-CB 3.98Å; A19-F24 HydrophobicContact CB-CD2 3.42Å; A19-F24 VanDerWaalsContact CB-CD2 3.42Å; A19-F24 HydrophobicContact CB-CE2 4.17Å; A19-F24 HydrophobicContact CB-CG 4Å; Y22-F24 HydrophobicContact CE2-CD2 4.42Å; Y22-F24 PolarHBondContact O-N 3.45Å; Y22-F24 VanDerWaalsContact O-N 3.08Å; F24-S26 PolarHBondContact O-N 2.96Å; F24-I29 HydrophobicContact CD2-CD1 4.15Å; F24-I29 HydrophobicContact CD2-CG1 4.39Å; F24-I29 HydrophobicContact CE2-CD1 3.88Å; F24-I29 HydrophobicContact CE2-CG1 3.72Å; F24-I29 HydrophobicContact CZ-CG1 4.45Å; F24-P48 HydrophobicContact CD1-CB 3.72Å; F24-P48 HydrophobicContact CD1-CG 4.14Å; F24-P48 HydrophobicContact CD2-CG 4.05Å; F24-P48 HydrophobicContact CE1-CB 3.48Å; F24-P48 VanDerWaalsContact CE1-CB 3.48Å; F24-P48 HydrophobicContact CE1-CG 3.81Å; F24-P48 HydrophobicContact CE2-CB 4.34Å; F24-P48 HydrophobicContact CE2-CG 3.74Å; F24-P48 HydrophobicContact CG-CB 4.27Å; F24-P48 HydrophobicContact CG-CG 4.27Å; F24-P48 HydrophobicContact CZ-CB 3.82Å; F24-P48 HydrophobicContact CZ-CG 3.6Å; F24-P48 WeakPolarHBondContact O-CG 3.23Å; F24-V67 HydrophobicContact CE1-CB 4.26Å; F24-V67 HydrophobicContact CE1-CG1 4.3Å; F24-V67 HydrophobicContact CZ-CB 4.38Å; F24-V67 HydrophobicContact CZ-CG1 4Å; F24-A74 HydrophobicContact CE2-CB 4.28Å; F24-A74 HydrophobicContact CZ-CB 3.99Å
25	T	93.2	Very high	91.2	Very high	53 Å²	53	42 Å²	42	33%	0.325	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-76.7	-3.4	-178.2	52	0	0	0	0	114.9	T23 P48 S49 K69	T23-T25 PolarHBondContact O-N 2.71Å; T23-T25 VanDerWaalsContact O-N 3.13Å; T25-P48 HydrophobicContact CG2-CB 4.43Å; T25-S49 WeakPolarHBondContact O-CB 3.23Å; T25-K69 HydrophobicContact CG2-CD 4.42Å
26	S	90.8	Very high	90.9	Very high	70 Å²	70	47.6 Å²	47.6	49%	0.49	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-93.9	-3	-178.2	-58.3	0	0	0	0	114.1	T23 F24	T23-S26 WeakPolarHBondContact CB-OG 3.44Å; T23-S26 VanDerWaalsContact CG2-OG 3.31Å; T23-S26 WeakPolarHBondContact CG2-OG 3.49Å; T23-S26 WeakPolarHBondContact O-CB 3.37Å; T23-S26 PolarHBondContact O-N 2.73Å; F24-S26 PolarHBondContact O-N 2.96Å
27	Y	88.5	Confident	90.7	Very high	69 Å²	69	50.5 Å²	50.5	27%	0.271	32%	0.316	S	S	.	.	S	Bend	trans	-139.7	147.2	-169.5	-61.8	-83.5	0	0	0	112.7	Y22 T23 P48 R93	Y22-Y27 AromaticContact CD2-CD2 3.65Å; Y22-Y27 HydrophobicContact CD2-CD2 3.65Å; Y22-Y27 HydrophobicContact CD2-CE2 4.05Å; Y22-Y27 HydrophobicContact CE2-CD2 4.2Å; Y22-Y27 HydrophobicContact CG-CD2 4.48Å; Y22-Y27 HydrophobicContact CG-CE2 4.49Å; T23-Y27 WeakPolarHBondContact O-CD2 3.42Å; Y27-P48 WeakPolarHBondContact O-CD 3.5Å; Y27-R93 VanDerWaalsContact CB-CG 3.41Å; Y27-R93 HydrophobicContact CD1-CG 3.88Å; Y27-R93 HydrophobicContact CD2-CG 4.18Å; Y27-R93 HydrophobicContact CG-CG 3.56Å
28	W	93.1	Very high	90.6	Very high	35 Å²	35	54.6 Å²	54.6	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.1	167.5	-74.2	91.5	0	0	0	110.7	M45 H47 E52 W94	W28-M45 HydrophobicContact CD2-CE 3.36Å; W28-M45 HydrophobicContact CD2-CG 4.28Å; W28-M45 HydrophobicContact CD2-SD 4.21Å; W28-M45 HydrophobicContact CE3-CB 3.92Å; W28-M45 HydrophobicContact CE3-CE 3.36Å; W28-M45 HydrophobicContact CE3-CG 3.44Å; W28-M45 VanDerWaalsContact CE3-CG 3.44Å; W28-M45 HydrophobicContact CE3-SD 3.95Å; W28-M45 HydrophobicContact CG-CE 3.98Å; W28-M45 HydrophobicContact CH2-CE 3.78Å; W28-M45 HydrophobicContact CZ2-CE 3.81Å; W28-M45 HydrophobicContact CZ3-CB 4.49Å; W28-M45 HydrophobicContact CZ3-CE 3.58Å; W28-M45 HydrophobicContact CZ3-CG 3.71Å; W28-M45 HydrophobicContact CZ3-SD 4.43Å; W28-H47 AromaticContact CD1-CD2 3.56Å; W28-H47 HydrophobicContact CD2-CB 3.7Å; W28-H47 AromaticContact CD2-CD2 3.77Å; W28-H47 AromaticContact CE2-CD2 3.68Å; W28-H47 AromaticContact CE2-CG 3.92Å; W28-H47 HydrophobicContact CE3-CB 3.64Å; W28-H47 VanDerWaalsContact CE3-N 3.3Å; W28-H47 HydrophobicContact CG-CB 4.5Å; W28-H47 AromaticContact CG-CD2 3.74Å; W28-H47 HydrophobicContact CH2-CB 3.69Å; W28-H47 HydrophobicContact CZ2-CB 3.72Å; W28-H47 HydrophobicContact CZ3-CB 3.64Å; W28-H47 VanDerWaalsContact CZ3-N 3.33Å; W28-H47 AromaticContact NE1-CD2 3.49Å; W28-H47 PolarHBondContact NE1-CD2 3.42Å; W28-E52 HydrophobicContact CH2-CB 3.79Å; W28-E52 HydrophobicContact CH2-CG 3.81Å; W28-E52 HydrophobicContact CZ3-CB 4.49Å; W28-E52 VanDerWaalsContact CZ3-O 3.3Å; W28-E52 WeakPolarHBondContact CZ3-O 3.29Å; W28-W94 HydrophobicContact CB-CB 4.3Å; W28-W94 HydrophobicContact CB-CE3 4.01Å; W28-W94 AromaticContact CD1-CE3 3.76Å; W28-W94 AromaticContact CD1-CZ3 3.95Å; W28-W94 HydrophobicContact CG-CE3 4.02Å; W28-W94 HydrophobicContact CG-CZ3 4.48Å; W28-W94 PolarHBondContact O-N 3.27Å
29	I	93.2	Very high	90.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.2	172.3	-49.8	-59.3	0	0	0	108.1	F24 M45 I46 P48 A74 C91	F24-I29 HydrophobicContact CD2-CD1 4.15Å; F24-I29 HydrophobicContact CD2-CG1 4.39Å; F24-I29 HydrophobicContact CE2-CD1 3.88Å; F24-I29 HydrophobicContact CE2-CG1 3.72Å; F24-I29 HydrophobicContact CZ-CG1 4.45Å; I29-M45 CarbonylContact O-C 3.52Å; I29-M45 WeakPolarHBondContact O-CA 3.49Å; I29-M45 WeakPolarHBondContact O-CB 2.98Å; I29-I46 HydrophobicContact CB-CG2 4.2Å; I29-I46 PolarHBondContact N-O 3.21Å; I29-I46 PolarHBondContact O-N 3.1Å; I29-P48 HydrophobicContact CG1-CG 3.82Å; I29-A74 HydrophobicContact CB-CB 4.26Å; I29-A74 HydrophobicContact CG1-CB 4.34Å; I29-A74 HydrophobicContact CG2-CB 3.88Å; I29-C91 HydrophobicContact CG2-CB 4.37Å
30	N	93.9	Very high	90.5	Very high	17 Å²	17	54 Å²	54	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	146.3	178.1	-73.9	-95.2	0	0	0	110.3	W42 G44 C91 A92 W94	N30-W42 PolarHBondContact OD1-NE1 3.11Å; N30-G44 CarbonylContact C-O 3.6Å; N30-G44 WeakPolarHBondContact CA-O 3.46Å; N30-C91 CarbonylContact O-C 3.37Å; N30-C91 WeakPolarHBondContact O-CA 3.18Å; N30-A92 PolarHBondContact N-O 2.84Å; N30-A92 PolarHBondContact O-N 3.08Å; N30-W94 WeakPolarHBondContact ND2-CB 3.43Å
31	W	94.9	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	171.1	-69.3	89.1	0	0	0	109	L15 C17 I43 G44 L65 A74 M76 Y90 C91	L15-W31 HydrophobicContact CB-CH2 3.92Å; L15-W31 HydrophobicContact CB-CZ3 3.71Å; L15-W31 HydrophobicContact CD1-CZ3 4.37Å; C17-W31 HydrophobicContact CB-CH2 3.76Å; C17-W31 HydrophobicContact CB-CZ2 3.75Å; W31-I43 HydrophobicContact CB-CB 4.24Å; W31-I43 WeakPolarHBondContact O-CB 3.4Å; W31-I43 PolarHBondContact O-N 3.06Å; W31-G44 PolarHBondContact N-O 2.73Å; W31-G44 PolarHBondContact O-N 3.16Å; W31-L65 HydrophobicContact CG-CD2 4.08Å; W31-A74 HydrophobicContact CZ2-CB 4.34Å; W31-M76 HydrophobicContact CB-SD 4.21Å; W31-M76 HydrophobicContact CD2-CB 3.78Å; W31-M76 HydrophobicContact CD2-SD 4.37Å; W31-M76 HydrophobicContact CE3-CB 3.95Å; W31-M76 HydrophobicContact CE3-CE 4.05Å; W31-M76 HydrophobicContact CE3-SD 4.37Å; W31-M76 HydrophobicContact CG-CB 4.34Å; W31-M76 HydrophobicContact CG-SD 4.32Å; W31-M76 HydrophobicContact CH2-CB 4.14Å; W31-M76 HydrophobicContact CZ2-CB 4Å; W31-M76 HydrophobicContact CZ3-CB 4.12Å; W31-Y90 WeakPolarHBondContact CA-O 3.44Å; W31-C91 HydrophobicContact CD2-CB 4.31Å; W31-C91 HydrophobicContact CE3-CB 4.18Å; W31-C91 HydrophobicContact CH2-CB 4.32Å; W31-C91 HydrophobicContact CZ2-CB 4.42Å; W31-C91 HydrophobicContact CZ3-CB 4.19Å
32	V	93.7	Very high	91.2	Very high	12 Å²	12	52 Å²	52	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.7	179.5	-58.1	0	0	0	0	109.3	L40 E41 W42 Y89 Y90 W103	V32-L40 HydrophobicContact CG2-CD2 4.19Å; V32-E41 CarbonylContact C-O 3.54Å; V32-E41 WeakPolarHBondContact CA-O 3.17Å; V32-W42 HydrophobicContact CG1-CB 4.46Å; V32-Y89 CarbonylContact O-C 3.57Å; V32-Y89 WeakPolarHBondContact O-CA 3.29Å; V32-Y90 HydrophobicContact CG2-CD2 4.19Å; V32-Y90 HydrophobicContact CG2-CG 4.41Å; V32-Y90 PolarHBondContact N-O 3.22Å; V32-Y90 PolarHBondContact O-N 3.37Å; V32-W103 HydrophobicContact CG2-CH2 3.92Å; V32-W103 HydrophobicContact CG2-CZ3 3.56Å
33	K	92.3	Very high	91.8	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.1	168.5	72.3	174.7	-157.3	168.8	0	111.3	E41 I43 F59 E84 D85 A87 I88 Y89	K33-E41 HydrophobicContact CG-CB 3.85Å; K33-E41 PolarHBondContact N-O 2.96Å; K33-E41 PolarHBondContact O-N 2.91Å; K33-I43 HydrophobicContact CB-CD1 4.07Å; K33-I43 HydrophobicContact CG-CD1 4.41Å; K33-F59 HydrophobicContact CD-CE1 4.13Å; K33-F59 HydrophobicContact CD-CZ 4.11Å; K33-F59 HydrophobicContact CG-CZ 4.46Å; K33-E84 PolarHBondContact NZ-O 2.91Å; K33-D85 IonicContact NZ-OD1 2.71Å; K33-D85 PolarHBondContact NZ-OD1 3.02Å; K33-A87 HydrophobicContact CB-CB 3.98Å; K33-A87 HydrophobicContact CD-CB 4.22Å; K33-A87 HydrophobicContact CG-CB 4.44Å; K33-I88 CarbonylContact C-O 3.53Å; K33-I88 WeakPolarHBondContact CA-O 3.45Å; K33-Y89 HydrophobicContact CB-CD1 3.77Å; K33-Y89 HydrophobicContact CB-CE1 3.67Å; K33-Y89 HydrophobicContact CB-CG 4.46Å; K33-Y89 HydrophobicContact CD-CE1 4.14Å; K33-Y89 HydrophobicContact CG-CE1 4.5Å
34	Q	91.1	Very high	92	Very high	67 Å²	67	45.7 Å²	45.7	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.9	175.8	-167.2	-178.7	27.3	0	0	109.7	L40 A87 I88 Y90	Q34-L40 HydrophobicContact CB-CD2 4.02Å; Q34-L40 HydrophobicContact CG-CD2 4.24Å; Q34-A87 WeakPolarHBondContact O-CA 3.38Å; Q34-A87 WeakPolarHBondContact O-CB 3.11Å; Q34-I88 PolarHBondContact N-O 2.98Å; Q34-I88 PolarHBondContact O-N 3.25Å; Q34-Y90 HydrophobicContact CB-CD2 4.45Å; Q34-Y90 HydrophobicContact CB-CE2 3.74Å; Q34-Y90 PolarHBondContact OE1-OH 3.02Å
35	R	90.9	Very high	92.3	Very high	42 Å²	42	46.1 Å²	46.1	16%	0.158	27%	0.272	C	S	.	.			trans	-89.7	146.7	171.2	-72.5	-173.1	-100.1	-176.5	-1.2	110	G37 Q38 E41 E84 A87	R35-G37 PolarHBondContact O-N 2.79Å; R35-Q38 HydrophobicContact CB-CB 3.99Å; R35-Q38 HydrophobicContact CB-CG 4.06Å; R35-Q38 VanDerWaalsContact NE-OE1 3.12Å; R35-Q38 PolarHBondContact O-N 2.8Å; R35-E41 IonicContact CZ-OE1 2.93Å; R35-E41 VanDerWaalsContact CZ-OE1 3.32Å; R35-E41 IonicContact NE-OE1 3.07Å; R35-E41 PolarHBondContact NE-OE1 3.24Å; R35-E41 VanDerWaalsContact NE-OE1 3.07Å; R35-E41 IonicContact NH2-OE1 3.5Å; R35-E41 PolarHBondContact NH2-OE1 2.9Å; R35-E41 IonicContact NH2-OE2 2.83Å; R35-E84 PolarHBondContact NH1-O 2.88Å; R35-A87 HydrophobicContact CG-CB 3.89Å
36	P	87.6	Confident	92.4	Very high	123 Å²	123	43.7 Å²	43.7	80%	0.799	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126.7	173.8	-26.1	34.7	0	0	0	111	Q38	P36-Q38 VanDerWaalsContact C-N 3.26Å; P36-Q38 PolarHBondContact O-N 3.12Å
37	G	89.3	Confident	92.7	Very high	93 Å²	93	41.6 Å²	41.6	96%	0.959	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	6.1	-178.3	0	0	0	0	0	115.7	R35	R35-G37 PolarHBondContact O-N 2.79Å
38	Q	89.9	Confident	93	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	23%	0.227	S	C	.	.	S	Bend	trans	-117.9	160.3	176.3	-59.1	-172.2	-3.7	0	0	111.8	R35 P36	R35-Q38 HydrophobicContact CB-CB 3.99Å; R35-Q38 HydrophobicContact CB-CG 4.06Å; R35-Q38 VanDerWaalsContact NE-OE1 3.12Å; R35-Q38 PolarHBondContact O-N 2.8Å; P36-Q38 VanDerWaalsContact C-N 3.26Å; P36-Q38 PolarHBondContact O-N 3.12Å
39	G	89.4	Confident	93.1	Very high	56 Å²	56	39.1 Å²	39.1	58%	0.577	24%	0.237	S	C	*	.			trans	-68.7	175.1	172.9	0	0	0	0	0	113.1
40	L	91.1	Very high	93.2	Very high	89 Å²	89	43.6 Å²	43.6	47%	0.466	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127	174.3	-66.2	163.5	0	0	0	110.4	V32 Q34 W103	V32-L40 HydrophobicContact CG2-CD2 4.19Å; Q34-L40 HydrophobicContact CB-CD2 4.02Å; Q34-L40 HydrophobicContact CG-CD2 4.24Å; L40-W103 HydrophobicContact CD1-CH2 3.5Å; L40-W103 VanDerWaalsContact CD1-CH2 3.5Å; L40-W103 HydrophobicContact CD1-CZ2 4.04Å; L40-W103 HydrophobicContact CD1-CZ3 4.47Å; L40-W103 HydrophobicContact CD2-CH2 3.79Å; L40-W103 HydrophobicContact CD2-CZ3 3.97Å; L40-W103 HydrophobicContact CG-CH2 4.28Å
41	E	93.4	Very high	93.3	Very high	37 Å²	37	45.6 Å²	45.6	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.9	172.5	-68.9	-175	-122.1	0	0	109.6	V32 K33 R35 I43 K58	V32-E41 CarbonylContact C-O 3.54Å; V32-E41 WeakPolarHBondContact CA-O 3.17Å; K33-E41 HydrophobicContact CG-CB 3.85Å; K33-E41 PolarHBondContact N-O 2.96Å; K33-E41 PolarHBondContact O-N 2.91Å; R35-E41 IonicContact CZ-OE1 2.93Å; R35-E41 VanDerWaalsContact CZ-OE1 3.32Å; R35-E41 IonicContact NE-OE1 3.07Å; R35-E41 PolarHBondContact NE-OE1 3.24Å; R35-E41 VanDerWaalsContact NE-OE1 3.07Å; R35-E41 IonicContact NH2-OE1 3.5Å; R35-E41 PolarHBondContact NH2-OE1 2.9Å; R35-E41 IonicContact NH2-OE2 2.83Å; E41-I43 PolarHBondContact O-N 3.38Å; E41-K58 IonicContact OE2-NZ 3.33Å; E41-K58 PolarHBondContact OE2-NZ 2.62Å
42	W	94.3	Very high	93.4	Very high	91 Å²	91	49.2 Å²	49.2	35%	0.345	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126	177.1	-177.7	82.7	0	0	0	111.8	N30 V32 G44 M45 R54 N56	N30-W42 PolarHBondContact OD1-NE1 3.11Å; V32-W42 HydrophobicContact CG1-CB 4.46Å; W42-G44 VanDerWaalsContact CZ2-C 3.49Å; W42-G44 VanDerWaalsContact CZ2-CA 3.4Å; W42-G44 PolarHBondContact NE1-O 3.5Å; W42-M45 HydrophobicContact CZ2-CB 4.16Å; W42-M45 HydrophobicContact CZ2-CG 3.86Å; W42-M45 HydrophobicContact CZ2-SD 4.05Å; W42-R54 HydrophobicContact CH2-CB 4.17Å; W42-N56 HydrophobicContact CE3-CB 3.7Å; W42-N56 HydrophobicContact CZ3-CB 3.77Å; W42-N56 WeakPolarHBondContact O-CB 3.47Å; W42-N56 PolarHBondContact O-ND2 3.08Å
43	I	95.8	Very high	93.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-49.1	-179.3	-62	171.9	0	0	0	110.3	W31 K33 E41 N56 F59 A63 M76 Y89	W31-I43 HydrophobicContact CB-CB 4.24Å; W31-I43 WeakPolarHBondContact O-CB 3.4Å; W31-I43 PolarHBondContact O-N 3.06Å; K33-I43 HydrophobicContact CB-CD1 4.07Å; K33-I43 HydrophobicContact CG-CD1 4.41Å; E41-I43 PolarHBondContact O-N 3.38Å; I43-N56 WeakPolarHBondContact O-CB 2.88Å; I43-N56 PolarHBondContact O-N 2.89Å; I43-F59 HydrophobicContact CB-CD2 4.15Å; I43-F59 HydrophobicContact CB-CG 4.38Å; I43-F59 HydrophobicContact CG1-CD1 4.47Å; I43-F59 HydrophobicContact CG1-CD2 4.08Å; I43-F59 HydrophobicContact CG1-CE1 4.41Å; I43-F59 HydrophobicContact CG1-CE2 4.01Å; I43-F59 HydrophobicContact CG1-CG 4.3Å; I43-F59 HydrophobicContact CG1-CZ 4.18Å; I43-F59 HydrophobicContact CG2-CB 3.84Å; I43-F59 HydrophobicContact CG2-CD2 4.16Å; I43-F59 HydrophobicContact CG2-CG 3.93Å; I43-A63 HydrophobicContact CG2-CB 3.79Å; I43-M76 HydrophobicContact CD1-CE 4Å; I43-M76 HydrophobicContact CD1-SD 3.86Å; I43-M76 HydrophobicContact CG2-SD 3.83Å; I43-Y89 HydrophobicContact CD1-CD1 3.71Å; I43-Y89 HydrophobicContact CD1-CE1 3.71Å
44	G	95.8	Very high	93.7	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-179.4	-175.7	0	0	0	0	0	113	N30 W31 W42 R54	N30-G44 CarbonylContact C-O 3.6Å; N30-G44 WeakPolarHBondContact CA-O 3.46Å; W31-G44 PolarHBondContact N-O 2.73Å; W31-G44 PolarHBondContact O-N 3.16Å; W42-G44 VanDerWaalsContact CZ2-C 3.49Å; W42-G44 VanDerWaalsContact CZ2-CA 3.4Å; W42-G44 PolarHBondContact NE1-O 3.5Å; G44-R54 CarbonylContact C-O 3.59Å; G44-R54 WeakPolarHBondContact CA-O 3.15Å
45	M	95.9	Very high	94	Very high	15 Å²	15	56.9 Å²	56.9	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.4	175.2	66.5	-167.7	-140.3	0	0	111.6	W28 I29 W42 T53 R54	W28-M45 HydrophobicContact CD2-CE 3.36Å; W28-M45 HydrophobicContact CD2-CG 4.28Å; W28-M45 HydrophobicContact CD2-SD 4.21Å; W28-M45 HydrophobicContact CE3-CB 3.92Å; W28-M45 HydrophobicContact CE3-CE 3.36Å; W28-M45 HydrophobicContact CE3-CG 3.44Å; W28-M45 VanDerWaalsContact CE3-CG 3.44Å; W28-M45 HydrophobicContact CE3-SD 3.95Å; W28-M45 HydrophobicContact CG-CE 3.98Å; W28-M45 HydrophobicContact CH2-CE 3.78Å; W28-M45 HydrophobicContact CZ2-CE 3.81Å; W28-M45 HydrophobicContact CZ3-CB 4.49Å; W28-M45 HydrophobicContact CZ3-CE 3.58Å; W28-M45 HydrophobicContact CZ3-CG 3.71Å; W28-M45 HydrophobicContact CZ3-SD 4.43Å; I29-M45 CarbonylContact O-C 3.52Å; I29-M45 WeakPolarHBondContact O-CA 3.49Å; I29-M45 WeakPolarHBondContact O-CB 2.98Å; W42-M45 HydrophobicContact CZ2-CB 4.16Å; W42-M45 HydrophobicContact CZ2-CG 3.86Å; W42-M45 HydrophobicContact CZ2-SD 4.05Å; M45-T53 WeakPolarHBondContact O-CA 2.92Å; M45-R54 HydrophobicContact CE-CG 4.41Å; M45-R54 HydrophobicContact CG-CB 4.07Å; M45-R54 PolarHBondContact N-O 2.95Å; M45-R54 PolarHBondContact O-N 3.32Å
46	I	96.4	Very high	94.2	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.5	175.6	-175.4	159.9	0	0	0	109.9	I29 E52 T53 L65 V67 A74	I29-I46 HydrophobicContact CB-CG2 4.2Å; I29-I46 PolarHBondContact N-O 3.21Å; I29-I46 PolarHBondContact O-N 3.1Å; I46-E52 CarbonylContact C-O 3.49Å; I46-E52 VanDerWaalsContact CA-O 3.29Å; I46-E52 WeakPolarHBondContact CA-O 2.95Å; I46-T53 HydrophobicContact CB-CG2 4.04Å; I46-T53 HydrophobicContact CD1-CG2 3.63Å; I46-T53 HydrophobicContact CG1-CG2 3.77Å; I46-L65 HydrophobicContact CB-CB 4.04Å; I46-L65 HydrophobicContact CB-CD1 4.21Å; I46-L65 HydrophobicContact CD1-CB 4.08Å; I46-L65 HydrophobicContact CG2-CB 4.3Å; I46-V67 HydrophobicContact CD1-CG1 3.74Å; I46-V67 HydrophobicContact CD1-CG2 4.33Å; I46-V67 HydrophobicContact CG1-CG1 3.93Å; I46-V67 HydrophobicContact CG2-CG1 3.94Å; I46-A74 HydrophobicContact CG2-CB 4.41Å
47	H	95.6	Very high	94.6	Very high	27 Å²	27	58.7 Å²	58.7	13%	0.125	33%	0.33	C	S	.	.			trans	-95.9	116.2	173.6	-163.6	-101.5	0	0	0	109.5	W28 S49 D50 S51 E52	W28-H47 AromaticContact CD1-CD2 3.56Å; W28-H47 HydrophobicContact CD2-CB 3.7Å; W28-H47 AromaticContact CD2-CD2 3.77Å; W28-H47 AromaticContact CE2-CD2 3.68Å; W28-H47 AromaticContact CE2-CG 3.92Å; W28-H47 HydrophobicContact CE3-CB 3.64Å; W28-H47 VanDerWaalsContact CE3-N 3.3Å; W28-H47 HydrophobicContact CG-CB 4.5Å; W28-H47 AromaticContact CG-CD2 3.74Å; W28-H47 HydrophobicContact CH2-CB 3.69Å; W28-H47 HydrophobicContact CZ2-CB 3.72Å; W28-H47 HydrophobicContact CZ3-CB 3.64Å; W28-H47 VanDerWaalsContact CZ3-N 3.33Å; W28-H47 AromaticContact NE1-CD2 3.49Å; W28-H47 PolarHBondContact NE1-CD2 3.42Å; H47-S49 VanDerWaalsContact C-N 3.26Å; H47-S49 PolarHBondContact CE1-OG 2.91Å; H47-S49 PolarHBondContact ND1-OG 3.09Å; H47-S49 PolarHBondContact O-N 2.59Å; H47-D50 WeakPolarHBondContact CB-OD1 3.16Å; H47-D50 IonicContact CG-OD1 2.59Å; H47-D50 IonicContact ND1-OD1 3.42Å; H47-D50 IonicContact ND1-OD2 3.98Å; H47-S51 WeakPolarHBondContact O-CA 2.95Å; H47-S51 PolarHBondContact O-N 2.98Å; H47-E52 HydrophobicContact CB-CB 4.46Å; H47-E52 PolarHBondContact N-O 2.95Å
48	P	95.3	Very high	94.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.5	-171.8	-19.8	33.4	0	0	0	114.9	F24 T25 Y27 I29 V67 K69	F24-P48 HydrophobicContact CD1-CB 3.72Å; F24-P48 HydrophobicContact CD1-CG 4.14Å; F24-P48 HydrophobicContact CD2-CG 4.05Å; F24-P48 HydrophobicContact CE1-CB 3.48Å; F24-P48 VanDerWaalsContact CE1-CB 3.48Å; F24-P48 HydrophobicContact CE1-CG 3.81Å; F24-P48 HydrophobicContact CE2-CB 4.34Å; F24-P48 HydrophobicContact CE2-CG 3.74Å; F24-P48 HydrophobicContact CG-CB 4.27Å; F24-P48 HydrophobicContact CG-CG 4.27Å; F24-P48 HydrophobicContact CZ-CB 3.82Å; F24-P48 HydrophobicContact CZ-CG 3.6Å; F24-P48 WeakPolarHBondContact O-CG 3.23Å; T25-P48 HydrophobicContact CG2-CB 4.43Å; Y27-P48 WeakPolarHBondContact O-CD 3.5Å; I29-P48 HydrophobicContact CG1-CG 3.82Å; P48-V67 HydrophobicContact CB-CB 4.42Å; P48-V67 HydrophobicContact CB-CG1 4.02Å; P48-V67 HydrophobicContact CG-CG1 4.13Å; P48-K69 WeakPolarHBondContact O-CD 2.97Å; P48-K69 WeakPolarHBondContact O-CE 3.41Å; P48-K69 PolarHBondContact O-NZ 3.42Å
49	S	95.2	Very high	95	Very high	51 Å²	51	55 Å²	55	36%	0.357	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-43.2	178.5	73.3	0	0	0	0	112.5	T25 H47 K69	T25-S49 WeakPolarHBondContact O-CB 3.23Å; H47-S49 VanDerWaalsContact C-N 3.26Å; H47-S49 PolarHBondContact CE1-OG 2.91Å; H47-S49 PolarHBondContact ND1-OG 3.09Å; H47-S49 PolarHBondContact O-N 2.59Å; S49-K69 PolarHBondContact O-NZ 3.24Å
50	D	95.8	Very high	95.2	Very high	95 Å²	95	58.5 Å²	58.5	51%	0.508	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-2.1	-170.3	52.2	21.3	0	0	0	112.7	H47 E52	H47-D50 WeakPolarHBondContact CB-OD1 3.16Å; H47-D50 IonicContact CG-OD1 2.59Å; H47-D50 IonicContact ND1-OD1 3.42Å; H47-D50 IonicContact ND1-OD2 3.98Å; D50-E52 PolarHBondContact O-N 2.85Å; D50-E52 WeakPolarHBondContact OD1-CB 3.44Å; D50-E52 PolarHBondContact OD1-N 2.97Å
51	S	95.8	Very high	95.3	Very high	59 Å²	59	66 Å²	66	41%	0.413	31%	0.308	S	S	.	.			trans	60.9	23.5	-176.3	-53.6	0	0	0	0	113.2	H47 T53	H47-S51 WeakPolarHBondContact O-CA 2.95Å; H47-S51 PolarHBondContact O-N 2.98Å; S51-T53 PolarHBondContact O-N 2.91Å
52	E	96.6	Very high	95.4	Very high	77 Å²	77	66.3 Å²	66.3	36%	0.36	31%	0.309	S	S	.	.			trans	-60.1	132.2	171.3	-169.9	-168.3	146.2	0	0	108.9	W28 I46 H47 D50 R54	W28-E52 HydrophobicContact CH2-CB 3.79Å; W28-E52 HydrophobicContact CH2-CG 3.81Å; W28-E52 HydrophobicContact CZ3-CB 4.49Å; W28-E52 VanDerWaalsContact CZ3-O 3.3Å; W28-E52 WeakPolarHBondContact CZ3-O 3.29Å; I46-E52 CarbonylContact C-O 3.49Å; I46-E52 VanDerWaalsContact CA-O 3.29Å; I46-E52 WeakPolarHBondContact CA-O 2.95Å; H47-E52 HydrophobicContact CB-CB 4.46Å; H47-E52 PolarHBondContact N-O 2.95Å; D50-E52 PolarHBondContact O-N 2.85Å; D50-E52 WeakPolarHBondContact OD1-CB 3.44Å; D50-E52 PolarHBondContact OD1-N 2.97Å; E52-R54 IonicContact OE1-CZ 3.64Å; E52-R54 IonicContact OE1-NE 2.73Å; E52-R54 PolarHBondContact OE1-NE 3.24Å; E52-R54 IonicContact OE1-NH2 3.32Å; E52-R54 PolarHBondContact OE1-NH2 2.94Å
53	T	96.7	Very high	95.5	Very high	68 Å²	68	62 Å²	62	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.7	179.6	55.4	0	0	0	0	111.3	M45 I46 S51 L65	M45-T53 WeakPolarHBondContact O-CA 2.92Å; I46-T53 HydrophobicContact CB-CG2 4.04Å; I46-T53 HydrophobicContact CD1-CG2 3.63Å; I46-T53 HydrophobicContact CG1-CG2 3.77Å; S51-T53 PolarHBondContact O-N 2.91Å; T53-L65 HydrophobicContact CG2-CB 4.07Å
54	R	96.2	Very high	95.6	Very high	129 Å²	129	66 Å²	66	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.9	169.3	-57.6	-173.9	-173.1	171.9	1.1	108.5	W42 G44 M45 E52	W42-R54 HydrophobicContact CH2-CB 4.17Å; G44-R54 CarbonylContact C-O 3.59Å; G44-R54 WeakPolarHBondContact CA-O 3.15Å; M45-R54 HydrophobicContact CE-CG 4.41Å; M45-R54 HydrophobicContact CG-CB 4.07Å; M45-R54 PolarHBondContact N-O 2.95Å; M45-R54 PolarHBondContact O-N 3.32Å; E52-R54 IonicContact OE1-CZ 3.64Å; E52-R54 IonicContact OE1-NE 2.73Å; E52-R54 PolarHBondContact OE1-NE 3.24Å; E52-R54 IonicContact OE1-NH2 3.32Å; E52-R54 PolarHBondContact OE1-NH2 2.94Å
55	L	96.5	Very high	95.6	Very high	44 Å²	44	66.6 Å²	66.6	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.4	179.5	-71.9	169.4	0	0	0	109.6	A63 L65	L55-A63 WeakPolarHBondContact CD1-O 3.14Å; L55-A63 HydrophobicContact CD2-CB 4.03Å; L55-L65 HydrophobicContact CD2-CD1 4.05Å; L55-L65 HydrophobicContact CD2-CG 4.03Å
56	N	95.8	Very high	95.7	Very high	56 Å²	56	68.9 Å²	68.9	30%	0.299	34%	0.335	S	S	.	.			trans	-66.2	138.3	164.7	178	-19.6	0	0	0	109.3	W42 I43 K58 F59 K60	W42-N56 HydrophobicContact CE3-CB 3.7Å; W42-N56 HydrophobicContact CZ3-CB 3.77Å; W42-N56 WeakPolarHBondContact O-CB 3.47Å; W42-N56 PolarHBondContact O-ND2 3.08Å; I43-N56 WeakPolarHBondContact O-CB 2.88Å; I43-N56 PolarHBondContact O-N 2.89Å; N56-K58 PolarHBondContact O-N 2.88Å; N56-K58 VanDerWaalsContact O-N 3.11Å; N56-K58 PolarHBondContact OD1-N 3.42Å; N56-K58 VanDerWaalsContact OD1-N 3.1Å; N56-F59 HydrophobicContact CB-CD2 3.99Å; N56-F59 PolarHBondContact O-N 2.01Å; N56-K60 PolarHBondContact O-N 3.01Å; N56-K60 VanDerWaalsContact O-N 3.09Å
57	Q	95	Very high	95.7	Very high	147 Å²	147	70.2 Å²	70.2	69%	0.687	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.2	-178.1	-65.7	-64.4	-14.9	0	0	112.8	F59 K60	Q57-F59 PolarHBondContact O-N 2.78Å; Q57-K60 PolarHBondContact O-N 2.79Å
58	K	93.3	Very high	95.8	Very high	110 Å²	110	71.5 Å²	71.5	48%	0.478	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.7	177.3	-175.7	177.1	176.5	-177.2	0	113	E41 N56	E41-K58 IonicContact OE2-NZ 3.33Å; E41-K58 PolarHBondContact OE2-NZ 2.62Å; N56-K58 PolarHBondContact O-N 2.88Å; N56-K58 VanDerWaalsContact O-N 3.11Å; N56-K58 PolarHBondContact OD1-N 3.42Å; N56-K58 VanDerWaalsContact OD1-N 3.1Å
59	F	94.7	Very high	95.7	Very high	2 Å²	2	76.5 Å²	76.5	1%	0.009	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-5.2	-173.7	-57	-74.1	0	0	0	113.5	K33 I43 N56 Q57 R61 K62 A63 F78	K33-F59 HydrophobicContact CD-CE1 4.13Å; K33-F59 HydrophobicContact CD-CZ 4.11Å; K33-F59 HydrophobicContact CG-CZ 4.46Å; I43-F59 HydrophobicContact CB-CD2 4.15Å; I43-F59 HydrophobicContact CB-CG 4.38Å; I43-F59 HydrophobicContact CG1-CD1 4.47Å; I43-F59 HydrophobicContact CG1-CD2 4.08Å; I43-F59 HydrophobicContact CG1-CE1 4.41Å; I43-F59 HydrophobicContact CG1-CE2 4.01Å; I43-F59 HydrophobicContact CG1-CG 4.3Å; I43-F59 HydrophobicContact CG1-CZ 4.18Å; I43-F59 HydrophobicContact CG2-CB 3.84Å; I43-F59 HydrophobicContact CG2-CD2 4.16Å; I43-F59 HydrophobicContact CG2-CG 3.93Å; N56-F59 HydrophobicContact CB-CD2 3.99Å; N56-F59 PolarHBondContact O-N 2.01Å; Q57-F59 PolarHBondContact O-N 2.78Å; F59-R61 PolarHBondContact O-N 2.94Å; F59-K62 PolarHBondContact O-N 2.89Å; F59-A63 HydrophobicContact CB-CB 4.16Å; F59-A63 PolarHBondContact O-N 2.91Å; F59-F78 AromaticContact CD1-CE2 3.82Å; F59-F78 HydrophobicContact CD1-CE2 3.82Å; F59-F78 AromaticContact CD1-CZ 3.67Å; F59-F78 HydrophobicContact CD1-CZ 3.67Å; F59-F78 HydrophobicContact CE1-CZ 4.05Å
60	K	93.7	Very high	95.6	Very high	129 Å²	129	79.3 Å²	79.3	56%	0.561	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.3	-174.7	-168.2	174	-179.2	179.6	0	114.6	N56 Q57	N56-K60 PolarHBondContact O-N 3.01Å; N56-K60 VanDerWaalsContact O-N 3.09Å; Q57-K60 PolarHBondContact O-N 2.79Å
61	R	94	Very high	95.6	Very high	246 Å²	246	76.5 Å²	76.5	93%	0.928	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.5	177.1	-62.6	-173.9	75.1	164.2	3.3	114.3	F59	F59-R61 PolarHBondContact O-N 2.94Å
62	K	94.5	Very high	95.5	Very high	44 Å²	44	75.7 Å²	75.7	19%	0.191	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-34.4	-174	-57.1	-165	75.8	166.3	0	112.8	F59 F78 S79 S80 D85	F59-K62 PolarHBondContact O-N 2.89Å; K62-F78 HydrophobicContact CB-CD2 3.99Å; K62-F78 HydrophobicContact CB-CE2 3.49Å; K62-F78 VanDerWaalsContact CB-CE2 3.49Å; K62-F78 HydrophobicContact CB-CZ 4.11Å; K62-F78 HydrophobicContact CD-CZ 4.45Å; K62-F78 WeakPolarHBondContact O-CA 3.36Å; K62-F78 WeakPolarHBondContact O-CD2 3.13Å; K62-S79 WeakPolarHBondContact CE-O 3.41Å; K62-S79 PolarHBondContact O-N 3Å; K62-S80 WeakPolarHBondContact CE-O 3.3Å; K62-S80 PolarHBondContact NZ-O 3.49Å; K62-D85 IonicContact NZ-OD1 3.88Å; K62-D85 IonicContact NZ-OD2 3.86Å; K62-D85 PolarHBondContact NZ-OD2 2.88Å
63	A	96.3	Very high	95.5	Very high	2 Å²	2	72.4 Å²	72.4	2%	0.017	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.7	-175.6	0	0	0	0	0	111.7	I43 L55 F59 M76 Q77 F78	I43-A63 HydrophobicContact CG2-CB 3.79Å; L55-A63 WeakPolarHBondContact CD1-O 3.14Å; L55-A63 HydrophobicContact CD2-CB 4.03Å; F59-A63 HydrophobicContact CB-CB 4.16Å; F59-A63 PolarHBondContact O-N 2.91Å; A63-M76 HydrophobicContact CB-CG 4.46Å; A63-M76 HydrophobicContact CB-SD 4.31Å; A63-Q77 CarbonylContact C-O 3.53Å; A63-Q77 WeakPolarHBondContact CA-O 3.26Å; A63-F78 HydrophobicContact CB-CD2 3.77Å; A63-F78 HydrophobicContact CB-CE2 3.96Å
64	T	97.7	Very high	95.4	Very high	82 Å²	82	69.2 Å²	69.2	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.2	168	-58.4	0	0	0	0	108.5	T66 M76 Q77	T64-T66 HydrophobicContact CG2-CG2 4.39Å; T64-M76 WeakPolarHBondContact O-CA 3.45Å; T64-Q77 PolarHBondContact N-O 2.97Å; T64-Q77 PolarHBondContact O-N 2.73Å
65	L	97.6	Very high	95.4	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.4	179.2	-53.1	-176.4	0	0	0	110	W31 I46 T53 L55 Y75 M76	W31-L65 HydrophobicContact CG-CD2 4.08Å; I46-L65 HydrophobicContact CB-CB 4.04Å; I46-L65 HydrophobicContact CB-CD1 4.21Å; I46-L65 HydrophobicContact CD1-CB 4.08Å; I46-L65 HydrophobicContact CG2-CB 4.3Å; T53-L65 HydrophobicContact CG2-CB 4.07Å; L55-L65 HydrophobicContact CD2-CD1 4.05Å; L55-L65 HydrophobicContact CD2-CG 4.03Å; L65-Y75 WeakPolarHBondContact CA-O 3.43Å; L65-M76 HydrophobicContact CD2-CB 3.74Å; L65-M76 HydrophobicContact CD2-CG 3.67Å; L65-M76 HydrophobicContact CD2-SD 4.21Å
66	T	97.6	Very high	95.4	Very high	64 Å²	64	63.4 Å²	63.4	39%	0.393	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163	176.4	56.9	0	0	0	0	110.6	T64 A74 Y75	T64-T66 HydrophobicContact CG2-CG2 4.39Å; T66-A74 CarbonylContact O-C 3.59Å; T66-Y75 PolarHBondContact N-O 2.83Å; T66-Y75 PolarHBondContact O-N 3Å
67	V	96.9	Very high	95.4	Very high	29 Å²	29	63.7 Å²	63.7	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144	176.6	-69.7	0	0	0	0	110.6	F24 I46 P48 A74	F24-V67 HydrophobicContact CE1-CB 4.26Å; F24-V67 HydrophobicContact CE1-CG1 4.3Å; F24-V67 HydrophobicContact CZ-CB 4.38Å; F24-V67 HydrophobicContact CZ-CG1 4Å; I46-V67 HydrophobicContact CD1-CG1 3.74Å; I46-V67 HydrophobicContact CD1-CG2 4.33Å; I46-V67 HydrophobicContact CG1-CG1 3.93Å; I46-V67 HydrophobicContact CG2-CG1 3.94Å; P48-V67 HydrophobicContact CB-CB 4.42Å; P48-V67 HydrophobicContact CB-CG1 4.02Å; P48-V67 HydrophobicContact CG-CG1 4.13Å; V67-A74 HydrophobicContact CG1-CB 4.14Å
68	D	95.8	Very high	95.4	Very high	54 Å²	54	56.7 Å²	56.7	29%	0.289	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	106.9	163.6	175	6.1	0	0	0	108.1	S70 S71 S72 T73 Y75	D68-S70 VanDerWaalsContact C-N 3.3Å; D68-S70 PolarHBondContact O-N 3.46Å; D68-S70 WeakPolarHBondContact OD1-CB 3.37Å; D68-S70 PolarHBondContact OD1-N 3.48Å; D68-S70 PolarHBondContact OD1-OG 2.79Å; D68-S70 PolarHBondContact OD2-OG 3.01Å; D68-S71 WeakPolarHBondContact CB-OG 3.42Å; D68-S71 PolarHBondContact OD1-N 3.39Å; D68-S71 WeakPolarHBondContact OD2-CB 3.5Å; D68-S71 PolarHBondContact OD2-OG 2.83Å; D68-S72 WeakPolarHBondContact O-CA 3.38Å; D68-S72 PolarHBondContact O-N 2.93Å; D68-S72 VanDerWaalsContact O-N 3.08Å; D68-T73 PolarHBondContact N-O 2.8Å; D68-T73 PolarHBondContact O-N 2.86Å; D68-Y75 HydrophobicContact CB-CE2 3.86Å
69	K	94.3	Very high	95.4	Very high	105 Å²	105	53 Å²	53	46%	0.457	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.9	-178.1	-54.1	-174.6	-161.6	-172.1	0	111.7	T25 P48 S49 S72	T25-K69 HydrophobicContact CG2-CD 4.42Å; P48-K69 WeakPolarHBondContact O-CD 2.97Å; P48-K69 WeakPolarHBondContact O-CE 3.41Å; P48-K69 PolarHBondContact O-NZ 3.42Å; S49-K69 PolarHBondContact O-NZ 3.24Å; K69-S72 PolarHBondContact O-N 2.83Å
70	S	93.8	Very high	95.3	Very high	111 Å²	111	56.6 Å²	56.6	78%	0.776	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-38.8	-177.6	73.6	0	0	0	0	111.8	D68	D68-S70 VanDerWaalsContact C-N 3.3Å; D68-S70 PolarHBondContact O-N 3.46Å; D68-S70 WeakPolarHBondContact OD1-CB 3.37Å; D68-S70 PolarHBondContact OD1-N 3.48Å; D68-S70 PolarHBondContact OD1-OG 2.79Å; D68-S70 PolarHBondContact OD2-OG 3.01Å
71	S	94.6	Very high	95.2	Very high	35 Å²	35	51 Å²	51	25%	0.245	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.1	176.7	66	0	0	0	0	113.5	D68 T73	D68-S71 WeakPolarHBondContact CB-OG 3.42Å; D68-S71 PolarHBondContact OD1-N 3.39Å; D68-S71 WeakPolarHBondContact OD2-CB 3.5Å; D68-S71 PolarHBondContact OD2-OG 2.83Å; S71-T73 PolarHBondContact O-N 3.08Å; S71-T73 PolarHBondContact O-OG1 2.85Å; S71-T73 WeakPolarHBondContact OG-CB 3.37Å; S71-T73 PolarHBondContact OG-OG1 3.43Å
72	S	94.4	Very high	95.1	Very high	42 Å²	42	42.4 Å²	42.4	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.8	-173.9	-64.2	0	0	0	0	112.6	A19 D68 K69	A19-S72 WeakPolarHBondContact CB-O 3.1Å; A19-S72 PolarHBondContact N-O 3.02Å; D68-S72 WeakPolarHBondContact O-CA 3.38Å; D68-S72 PolarHBondContact O-N 2.93Å; D68-S72 VanDerWaalsContact O-N 3.08Å; K69-S72 PolarHBondContact O-N 2.83Å
73	T	95.7	Very high	94.8	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.9	-173.9	-56.6	0	0	0	0	111	C17 K18 D68 S71 Y75	C17-T73 CarbonylContact O-C 2.87Å; C17-T73 WeakPolarHBondContact O-CA 3.33Å; K18-T73 HydrophobicContact CB-CG2 4.45Å; D68-T73 PolarHBondContact N-O 2.8Å; D68-T73 PolarHBondContact O-N 2.86Å; S71-T73 PolarHBondContact O-N 3.08Å; S71-T73 PolarHBondContact O-OG1 2.85Å; S71-T73 WeakPolarHBondContact OG-CB 3.37Å; S71-T73 PolarHBondContact OG-OG1 3.43Å; T73-Y75 HydrophobicContact CG2-CD1 4.28Å; T73-Y75 HydrophobicContact CG2-CD2 4.37Å; T73-Y75 HydrophobicContact CG2-CE1 3.69Å; T73-Y75 HydrophobicContact CG2-CE2 3.77Å
74	A	95.8	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	148.8	167.4	0	0	0	0	0	110	S16 C17 F24 I29 W31 I46 T66 V67	S16-A74 CarbonylContact C-O 3.57Å; S16-A74 WeakPolarHBondContact CA-O 3.32Å; C17-A74 HydrophobicContact CB-CB 4.33Å; C17-A74 PolarHBondContact N-O 3.07Å; C17-A74 PolarHBondContact O-N 3.16Å; F24-A74 HydrophobicContact CE2-CB 4.28Å; F24-A74 HydrophobicContact CZ-CB 3.99Å; I29-A74 HydrophobicContact CB-CB 4.26Å; I29-A74 HydrophobicContact CG1-CB 4.34Å; I29-A74 HydrophobicContact CG2-CB 3.88Å; W31-A74 HydrophobicContact CZ2-CB 4.34Å; I46-A74 HydrophobicContact CG2-CB 4.41Å; T66-A74 CarbonylContact O-C 3.59Å; V67-A74 HydrophobicContact CG1-CB 4.14Å
75	Y	96.5	Very high	94.1	Very high	52 Å²	52	48.2 Å²	48.2	20%	0.204	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.6	177.6	-57	-87.5	0	0	0	111.2	K14 L15 L65 T66 D68 T73	K14-Y75 HydrophobicContact CD-CD1 4.44Å; K14-Y75 HydrophobicContact CG-CD1 4.38Å; L15-Y75 CarbonylContact O-C 3.54Å; L15-Y75 WeakPolarHBondContact O-CA 3.09Å; L65-Y75 WeakPolarHBondContact CA-O 3.43Å; T66-Y75 PolarHBondContact N-O 2.83Å; T66-Y75 PolarHBondContact O-N 3Å; D68-Y75 HydrophobicContact CB-CE2 3.86Å; T73-Y75 HydrophobicContact CG2-CD1 4.28Å; T73-Y75 HydrophobicContact CG2-CD2 4.37Å; T73-Y75 HydrophobicContact CG2-CE1 3.69Å; T73-Y75 HydrophobicContact CG2-CE2 3.77Å
76	M	96.2	Very high	93.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116	165.8	178.9	177.5	68.3	0	0	109	K14 L15 W31 I43 A63 T64 L65 F78 Y89	K14-M76 WeakPolarHBondContact CA-O 3.43Å; L15-M76 HydrophobicContact CD1-CE 3.53Å; L15-M76 HydrophobicContact CG-CE 4.23Å; L15-M76 PolarHBondContact N-O 2.8Å; L15-M76 PolarHBondContact O-N 2.77Å; W31-M76 HydrophobicContact CB-SD 4.21Å; W31-M76 HydrophobicContact CD2-CB 3.78Å; W31-M76 HydrophobicContact CD2-SD 4.37Å; W31-M76 HydrophobicContact CE3-CB 3.95Å; W31-M76 HydrophobicContact CE3-CE 4.05Å; W31-M76 HydrophobicContact CE3-SD 4.37Å; W31-M76 HydrophobicContact CG-CB 4.34Å; W31-M76 HydrophobicContact CG-SD 4.32Å; W31-M76 HydrophobicContact CH2-CB 4.14Å; W31-M76 HydrophobicContact CZ2-CB 4Å; W31-M76 HydrophobicContact CZ3-CB 4.12Å; I43-M76 HydrophobicContact CD1-CE 4Å; I43-M76 HydrophobicContact CD1-SD 3.86Å; I43-M76 HydrophobicContact CG2-SD 3.83Å; A63-M76 HydrophobicContact CB-CG 4.46Å; A63-M76 HydrophobicContact CB-SD 4.31Å; T64-M76 WeakPolarHBondContact O-CA 3.45Å; L65-M76 HydrophobicContact CD2-CB 3.74Å; L65-M76 HydrophobicContact CD2-CG 3.67Å; L65-M76 HydrophobicContact CD2-SD 4.21Å; M76-F78 HydrophobicContact CE-CB 4.35Å; M76-Y89 HydrophobicContact CE-CD1 3.61Å; M76-Y89 HydrophobicContact CE-CE1 4.01Å; M76-Y89 HydrophobicContact CE-CG 4.39Å
77	Q	95.8	Very high	93.5	Very high	62 Å²	62	50 Å²	50	29%	0.29	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.1	164	-175.7	68.6	48.2	0	0	107.7	V13 A63 T64	V13-Q77 WeakPolarHBondContact O-CA 3.49Å; V13-Q77 PolarHBondContact O-NE2 3.06Å; A63-Q77 CarbonylContact C-O 3.53Å; A63-Q77 WeakPolarHBondContact CA-O 3.26Å; T64-Q77 PolarHBondContact N-O 2.97Å; T64-Q77 PolarHBondContact O-N 2.73Å
78	F	93.8	Very high	93.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.4	178	-154	-136.4	0	0	0	109.6	S12 V13 F59 K62 A63 M76 L81 D85 Y89	S12-F78 CarbonylContact C-O 3.6Å; S12-F78 WeakPolarHBondContact CA-O 3.49Å; V13-F78 HydrophobicContact CG2-CB 4Å; V13-F78 PolarHBondContact N-O 2.79Å; V13-F78 PolarHBondContact O-N 3.31Å; F59-F78 AromaticContact CD1-CE2 3.82Å; F59-F78 HydrophobicContact CD1-CE2 3.82Å; F59-F78 AromaticContact CD1-CZ 3.67Å; F59-F78 HydrophobicContact CD1-CZ 3.67Å; F59-F78 HydrophobicContact CE1-CZ 4.05Å; K62-F78 HydrophobicContact CB-CD2 3.99Å; K62-F78 HydrophobicContact CB-CE2 3.49Å; K62-F78 VanDerWaalsContact CB-CE2 3.49Å; K62-F78 HydrophobicContact CB-CZ 4.11Å; K62-F78 HydrophobicContact CD-CZ 4.45Å; K62-F78 WeakPolarHBondContact O-CA 3.36Å; K62-F78 WeakPolarHBondContact O-CD2 3.13Å; A63-F78 HydrophobicContact CB-CD2 3.77Å; A63-F78 HydrophobicContact CB-CE2 3.96Å; M76-F78 HydrophobicContact CE-CB 4.35Å; F78-L81 HydrophobicContact CB-CD2 4.26Å; F78-L81 HydrophobicContact CD1-CD2 3.18Å; F78-L81 HydrophobicContact CE1-CD2 3.74Å; F78-L81 HydrophobicContact CG-CD2 3.98Å; F78-D85 HydrophobicContact CE1-CB 3.88Å; F78-Y89 HydrophobicContact CD1-CE1 4.14Å; F78-Y89 HydrophobicContact CE1-CE1 4.15Å; F78-Y89 VanDerWaalsContact CE1-OH 3.29Å; F78-Y89 WeakPolarHBondContact CE1-OH 3.37Å
79	S	94.1	Very high	93	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	29%	0.291	C	S	.	.			trans	-110.5	154	-166.4	-56.4	0	0	0	0	112.8	S12 K62 L81	S12-S79 WeakPolarHBondContact OG-CA 2.95Å; K62-S79 WeakPolarHBondContact CE-O 3.41Å; K62-S79 PolarHBondContact O-N 3Å; S79-L81 PolarHBondContact O-N 2.98Å
80	S	92.9	Very high	92.8	Very high	77 Å²	77	46.3 Å²	46.3	54%	0.538	28%	0.275	S	S	.	.	S	Bend	trans	54.1	52.6	176.5	-53.7	0	0	0	0	112.1	A11 K62	A11-S80 PolarHBondContact O-N 2.85Å; K62-S80 WeakPolarHBondContact CE-O 3.3Å; K62-S80 PolarHBondContact NZ-O 3.49Å
81	L	91.4	Very high	92.8	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	24%	0.24	C	C	.	.			trans	-61.8	137.7	-175.7	-64.7	172	0	0	0	111.8	V7 G10 A11 V13 F78 S79 D85	V7-L81 HydrophobicContact CB-CD1 4.47Å; V7-L81 HydrophobicContact CG2-CD1 3.38Å; G10-L81 PolarHBondContact N-O 2.76Å; A11-L81 WeakPolarHBondContact O-CG 3.39Å; A11-L81 PolarHBondContact O-N 2.85Å; V13-L81 HydrophobicContact CB-CD1 4.31Å; V13-L81 HydrophobicContact CG1-CD1 3.69Å; V13-L81 HydrophobicContact CG2-CD1 3.88Å; V13-L81 HydrophobicContact CG2-CD2 4.46Å; F78-L81 HydrophobicContact CB-CD2 4.26Å; F78-L81 HydrophobicContact CD1-CD2 3.18Å; F78-L81 HydrophobicContact CE1-CD2 3.74Å; F78-L81 HydrophobicContact CG-CD2 3.98Å; S79-L81 PolarHBondContact O-N 2.98Å; L81-D85 HydrophobicContact CD2-CB 3.94Å
82	T	91.4	Very high	92.5	Very high	66 Å²	66	39.8 Å²	39.8	41%	0.405	23%	0.23	S	C	.	.			trans	-113.7	172.6	171	65.3	0	0	0	0	110.1	E84 D85	T82-E84 PolarHBondContact O-N 2.9Å; T82-D85 PolarHBondContact N-OD2 2.84Å; T82-D85 WeakPolarHBondContact O-CB 3.48Å; T82-D85 PolarHBondContact O-N 2.85Å; T82-D85 PolarHBondContact OG1-OD2 3.02Å
83	T	88.2	Confident	92.2	Very high	116 Å²	116	39.9 Å²	39.9	71%	0.712	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-58.7	-28.8	174.5	48	0	0	0	0	112.5	D85 S86	T83-D85 PolarHBondContact O-N 3.23Å; T83-S86 WeakPolarHBondContact O-CB 3.18Å; T83-S86 PolarHBondContact O-N 2.86Å; T83-S86 VanDerWaalsContact O-N 3.16Å
84	E	88.1	Confident	91.3	Very high	121 Å²	121	43.9 Å²	43.9	57%	0.565	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-69.6	-14.5	175.4	-60.7	-175	-177.8	0	0	114.1	K33 R35 T82	K33-E84 PolarHBondContact NZ-O 2.91Å; R35-E84 PolarHBondContact NH1-O 2.88Å; T82-E84 PolarHBondContact O-N 2.9Å
85	D	90.4	Very high	89.8	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90	-2.1	174.9	-62.1	-44.8	0	0	0	112.8	K33 K62 F78 L81 T82 T83 A87 Y89	K33-D85 IonicContact NZ-OD1 2.71Å; K33-D85 PolarHBondContact NZ-OD1 3.02Å; K62-D85 IonicContact NZ-OD1 3.88Å; K62-D85 IonicContact NZ-OD2 3.86Å; K62-D85 PolarHBondContact NZ-OD2 2.88Å; F78-D85 HydrophobicContact CE1-CB 3.88Å; L81-D85 HydrophobicContact CD2-CB 3.94Å; T82-D85 PolarHBondContact N-OD2 2.84Å; T82-D85 WeakPolarHBondContact O-CB 3.48Å; T82-D85 PolarHBondContact O-N 2.85Å; T82-D85 PolarHBondContact OG1-OD2 3.02Å; T83-D85 PolarHBondContact O-N 3.23Å; D85-A87 PolarHBondContact O-N 3.24Å; D85-A87 VanDerWaalsContact O-N 3.08Å; D85-Y89 WeakPolarHBondContact O-CE2 3.41Å; D85-Y89 PolarHBondContact O-OH 3.31Å
86	S	90.9	Very high	87.9	Confident	94 Å²	94	45.7 Å²	45.7	66%	0.657	27%	0.266	S	S	*	.			trans	-67.1	108.5	169.2	-170.6	0	0	0	0	109.4	T83	T83-S86 WeakPolarHBondContact O-CB 3.18Å; T83-S86 PolarHBondContact O-N 2.86Å; T83-S86 VanDerWaalsContact O-N 3.16Å
87	A	91.6	Very high	85.6	Confident	19 Å²	19	48.6 Å²	48.6	16%	0.157	29%	0.29	C	S	.	.	S	Bend	trans	-161.8	166.5	-173.4	0	0	0	0	0	109	K33 Q34 R35 D85 Y89	K33-A87 HydrophobicContact CB-CB 3.98Å; K33-A87 HydrophobicContact CD-CB 4.22Å; K33-A87 HydrophobicContact CG-CB 4.44Å; Q34-A87 WeakPolarHBondContact O-CA 3.38Å; Q34-A87 WeakPolarHBondContact O-CB 3.11Å; R35-A87 HydrophobicContact CG-CB 3.89Å; D85-A87 PolarHBondContact O-N 3.24Å; D85-A87 VanDerWaalsContact O-N 3.08Å; A87-Y89 HydrophobicContact CB-CE2 4.12Å; A87-Y89 WeakPolarHBondContact O-CD2 3.19Å
88	I	91.2	Very high	83.3	Confident	70 Å²	70	56.9 Å²	56.9	36%	0.359	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.5	162.6	-54	174	0	0	0	107.2	K33 Q34 Y90	K33-I88 CarbonylContact C-O 3.53Å; K33-I88 WeakPolarHBondContact CA-O 3.45Å; Q34-I88 PolarHBondContact N-O 2.98Å; Q34-I88 PolarHBondContact O-N 3.25Å; I88-Y90 HydrophobicContact CB-CE2 3.84Å; I88-Y90 HydrophobicContact CG2-CD1 4.4Å; I88-Y90 HydrophobicContact CG2-CD2 4.23Å; I88-Y90 HydrophobicContact CG2-CE1 3.75Å; I88-Y90 HydrophobicContact CG2-CE2 3.57Å; I88-Y90 WeakPolarHBondContact CG2-OH 3.47Å
89	Y	92.3	Very high	81	Confident	12 Å²	12	59.8 Å²	59.8	5%	0.047	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.6	176.4	-68.5	-92.3	0	0	0	109.4	L15 V32 K33 I43 M76 F78 D85 A87 G106	L15-Y89 VanDerWaalsContact CD1-CB 3.45Å; L15-Y89 HydrophobicContact CD1-CD1 4Å; L15-Y89 HydrophobicContact CD1-CD2 3.98Å; L15-Y89 HydrophobicContact CD1-CG 3.52Å; V32-Y89 CarbonylContact O-C 3.57Å; V32-Y89 WeakPolarHBondContact O-CA 3.29Å; K33-Y89 HydrophobicContact CB-CD1 3.77Å; K33-Y89 HydrophobicContact CB-CE1 3.67Å; K33-Y89 HydrophobicContact CB-CG 4.46Å; K33-Y89 HydrophobicContact CD-CE1 4.14Å; K33-Y89 HydrophobicContact CG-CE1 4.5Å; I43-Y89 HydrophobicContact CD1-CD1 3.71Å; I43-Y89 HydrophobicContact CD1-CE1 3.71Å; M76-Y89 HydrophobicContact CE-CD1 3.61Å; M76-Y89 HydrophobicContact CE-CE1 4.01Å; M76-Y89 HydrophobicContact CE-CG 4.39Å; F78-Y89 HydrophobicContact CD1-CE1 4.14Å; F78-Y89 HydrophobicContact CE1-CE1 4.15Å; F78-Y89 VanDerWaalsContact CE1-OH 3.29Å; F78-Y89 WeakPolarHBondContact CE1-OH 3.37Å; D85-Y89 WeakPolarHBondContact O-CE2 3.41Å; D85-Y89 PolarHBondContact O-OH 3.31Å; A87-Y89 HydrophobicContact CB-CE2 4.12Å; A87-Y89 WeakPolarHBondContact O-CD2 3.19Å; Y89-G106 CarbonylContact O-C 3.56Å; Y89-G106 WeakPolarHBondContact O-CA 3.48Å; Y89-G106 PolarHBondContact O-N 2.61Å
90	Y	90.9	Very high	79	Confident	29 Å²	29	63.5 Å²	63.5	11%	0.114	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.6	175.9	-54.1	-94.1	0	0	0	110	W31 V32 Q34 I88 W103 Q105	W31-Y90 WeakPolarHBondContact CA-O 3.44Å; V32-Y90 HydrophobicContact CG2-CD2 4.19Å; V32-Y90 HydrophobicContact CG2-CG 4.41Å; V32-Y90 PolarHBondContact N-O 3.22Å; V32-Y90 PolarHBondContact O-N 3.37Å; Q34-Y90 HydrophobicContact CB-CD2 4.45Å; Q34-Y90 HydrophobicContact CB-CE2 3.74Å; Q34-Y90 PolarHBondContact OE1-OH 3.02Å; I88-Y90 HydrophobicContact CB-CE2 3.84Å; I88-Y90 HydrophobicContact CG2-CD1 4.4Å; I88-Y90 HydrophobicContact CG2-CD2 4.23Å; I88-Y90 HydrophobicContact CG2-CE1 3.75Å; I88-Y90 HydrophobicContact CG2-CE2 3.57Å; I88-Y90 WeakPolarHBondContact CG2-OH 3.47Å; Y90-W103 AromaticContact CD1-CE3 3.76Å; Y90-W103 HydrophobicContact CD1-CE3 3.76Å; Y90-W103 HydrophobicContact CD1-CZ3 4.26Å; Y90-W103 HydrophobicContact CD2-CE3 4.28Å; Y90-W103 AromaticContact CD2-CZ3 3.93Å; Y90-W103 HydrophobicContact CD2-CZ3 3.93Å; Y90-W103 AromaticContact CG-CE3 3.61Å; Y90-W103 HydrophobicContact CG-CE3 3.61Å; Y90-W103 AromaticContact CG-CZ3 3.68Å; Y90-W103 HydrophobicContact CG-CZ3 3.68Å; Y90-Q105 HydrophobicContact CD1-CG 4Å; Y90-Q105 HydrophobicContact CE1-CG 3.65Å
91	C	92.1	Very high	76.8	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.034	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.9	165.3	69.1	0	0	0	0	110.3	C17 I29 N30 W31 G104	C17-C91 HydrophobicContact CB-CB 3.45Å; C17-C91 VanDerWaalsContact CB-CB 3.45Å; C17-C91 WeakPolarHBondContact CB-SG 3.38Å; C17-C91 WeakPolarHBondContact SG-CB 3.41Å; C17-C91 CovalentContact SG-SG 2.01Å; C17-C91 PolarHBondContact SG-SG 3.13Å; I29-C91 HydrophobicContact CG2-CB 4.37Å; N30-C91 CarbonylContact O-C 3.37Å; N30-C91 WeakPolarHBondContact O-CA 3.18Å; W31-C91 HydrophobicContact CD2-CB 4.31Å; W31-C91 HydrophobicContact CE3-CB 4.18Å; W31-C91 HydrophobicContact CH2-CB 4.32Å; W31-C91 HydrophobicContact CZ2-CB 4.42Å; W31-C91 HydrophobicContact CZ3-CB 4.19Å; C91-G104 PolarHBondContact N-O 3.48Å; C91-G104 PolarHBondContact O-N 2.95Å
92	A	88.8	Confident	75	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.033	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.2	178.7	0	0	0	0	0	112.6	N30 Y102	N30-A92 PolarHBondContact N-O 2.84Å; N30-A92 PolarHBondContact O-N 3.08Å; A92-Y102 WeakPolarHBondContact CA-O 3.49Å; A92-Y102 VanDerWaalsContact CB-O 3.31Å; A92-Y102 WeakPolarHBondContact CB-O 3.31Å
93	R	87.9	Confident	73.3	Confident	45 Å²	45	70.8 Å²	70.8	17%	0.17	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134.8	171.2	-174	-172.8	71.1	-172.2	0.8	109.4	Y22 Y27	Y22-R93 VanDerWaalsContact CB-NH1 3.34Å; Y22-R93 VanDerWaalsContact CD1-NH1 3.3Å; Y22-R93 HydrophobicContact CE2-CG 4.14Å; Y22-R93 VanDerWaalsContact CG-NH1 3.31Å; Y27-R93 VanDerWaalsContact CB-CG 3.41Å; Y27-R93 HydrophobicContact CD1-CG 3.88Å; Y27-R93 HydrophobicContact CD2-CG 4.18Å; Y27-R93 HydrophobicContact CG-CG 3.56Å
94	W	76.8	Confident	71.5	Confident	92 Å²	92	65.9 Å²	65.9	35%	0.348	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.8	172.1	-178.3	61	0	0	0	111.4	W28 N30	W28-W94 HydrophobicContact CB-CB 4.3Å; W28-W94 HydrophobicContact CB-CE3 4.01Å; W28-W94 AromaticContact CD1-CE3 3.76Å; W28-W94 AromaticContact CD1-CZ3 3.95Å; W28-W94 HydrophobicContact CG-CE3 4.02Å; W28-W94 HydrophobicContact CG-CZ3 4.48Å; W28-W94 PolarHBondContact O-N 3.27Å; N30-W94 WeakPolarHBondContact ND2-CB 3.43Å
95	S	64.7	Low	69.4	Low	40 Å²	40	65.4 Å²	65.4	28%	0.28	34%	0.338	S	S	.	.			trans	-101.6	12.1	-174.2	55.6	0	0	0	0	114.5	A97 T99 D101	S95-A97 PolarHBondContact O-N 3Å; S95-A97 VanDerWaalsContact O-N 3.12Å; S95-T99 PolarHBondContact OG-OG1 2.69Å; S95-D101 PolarHBondContact OG-OD2 3.29Å; S95-D101 VanDerWaalsContact OG-OD2 3.06Å
96	G	56.8	Low	67.2	Low	51 Å²	51	64.9 Å²	64.9	53%	0.526	34%	0.336	S	S	.	.	S	Bend	trans	76.6	-13.3	176.5	0	0	0	0	0	115.6
97	A	48.3	Very low	65.1	Low	61 Å²	61	62.6 Å²	62.6	50%	0.504	32%	0.318	S	S	.	.	S	Bend	trans	-114.6	69.7	178.7	0	0	0	0	0	111.4	S95 T99	S95-A97 PolarHBondContact O-N 3Å; S95-A97 VanDerWaalsContact O-N 3.12Å; A97-T99 WeakPolarHBondContact O-CG2 3.42Å; A97-T99 PolarHBondContact O-N 2.8Å; A97-T99 PolarHBondContact O-OG1 2.96Å
98	Y	46.4	Very low	63.8	Low	236 Å²	236	64.8 Å²	64.8	93%	0.925	33%	0.326	S	S	*	.	S	Bend	trans	50.3	4.4	170.9	-60.1	-78.2	0	0	0	118.9
99	T	45.4	Very low	62.4	Low	60 Å²	60	64.5 Å²	64.5	37%	0.368	32%	0.324	S	S	.	.			trans	-115.3	120.1	-174.8	57.8	0	0	0	0	110.7	S95 A97 D101	S95-T99 PolarHBondContact OG-OG1 2.69Å; A97-T99 WeakPolarHBondContact O-CG2 3.42Å; A97-T99 PolarHBondContact O-N 2.8Å; A97-T99 PolarHBondContact O-OG1 2.96Å; T99-D101 VanDerWaalsContact C-N 3.29Å; T99-D101 WeakPolarHBondContact CB-OD1 3.44Å; T99-D101 PolarHBondContact O-N 3.31Å; T99-D101 PolarHBondContact OG1-OD1 3.08Å; T99-D101 PolarHBondContact OG1-OD2 3.43Å
100	M	52.5	Low	60.7	Low	110 Å²	110	67.4 Å²	67.4	54%	0.542	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	78.6	167.7	-68.5	163.1	-179.6	0	0	106.5	Y102 W103	M100-Y102 VanDerWaalsContact C-N 3.27Å; M100-Y102 PolarHBondContact O-N 3.4Å; M100-W103 HydrophobicContact SD-CZ2 4.49Å
101	D	47.5	Very low	58.9	Low	81 Å²	81	69.6 Å²	69.6	43%	0.433	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-6.1	-161.9	-74.8	-43.9	0	0	0	115.6	S95 T99	S95-D101 PolarHBondContact OG-OD2 3.29Å; S95-D101 VanDerWaalsContact OG-OD2 3.06Å; T99-D101 VanDerWaalsContact C-N 3.29Å; T99-D101 WeakPolarHBondContact CB-OD1 3.44Å; T99-D101 PolarHBondContact O-N 3.31Å; T99-D101 PolarHBondContact OG1-OD1 3.08Å; T99-D101 PolarHBondContact OG1-OD2 3.43Å
102	Y	53	Low	56.8	Low	122 Å²	122	73.7 Å²	73.7	48%	0.478	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	118.6	179.9	-166.4	-98.2	0	0	0	111.2	A92 M100	A92-Y102 WeakPolarHBondContact CA-O 3.49Å; A92-Y102 VanDerWaalsContact CB-O 3.31Å; A92-Y102 WeakPolarHBondContact CB-O 3.31Å; M100-Y102 VanDerWaalsContact C-N 3.27Å; M100-Y102 PolarHBondContact O-N 3.4Å
103	W	55.4	Low	54.7	Low	105 Å²	105	78.3 Å²	78.3	40%	0.398	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.8	169.2	-68.1	80.5	0	0	0	107.8	V32 L40 Y90 M100	V32-W103 HydrophobicContact CG2-CH2 3.92Å; V32-W103 HydrophobicContact CG2-CZ3 3.56Å; L40-W103 HydrophobicContact CD1-CH2 3.5Å; L40-W103 VanDerWaalsContact CD1-CH2 3.5Å; L40-W103 HydrophobicContact CD1-CZ2 4.04Å; L40-W103 HydrophobicContact CD1-CZ3 4.47Å; L40-W103 HydrophobicContact CD2-CH2 3.79Å; L40-W103 HydrophobicContact CD2-CZ3 3.97Å; L40-W103 HydrophobicContact CG-CH2 4.28Å; Y90-W103 AromaticContact CD1-CE3 3.76Å; Y90-W103 HydrophobicContact CD1-CE3 3.76Å; Y90-W103 HydrophobicContact CD1-CZ3 4.26Å; Y90-W103 HydrophobicContact CD2-CE3 4.28Å; Y90-W103 AromaticContact CD2-CZ3 3.93Å; Y90-W103 HydrophobicContact CD2-CZ3 3.93Å; Y90-W103 AromaticContact CG-CE3 3.61Å; Y90-W103 HydrophobicContact CG-CE3 3.61Å; Y90-W103 AromaticContact CG-CZ3 3.68Å; Y90-W103 HydrophobicContact CG-CZ3 3.68Å; M100-W103 HydrophobicContact SD-CZ2 4.49Å
104	G	51.2	Low	52.3	Low	14 Å²	14	80.7 Å²	80.7	14%	0.144	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.4	153.5	0	0	0	0	0	106.8	C91 G106	C91-G104 PolarHBondContact N-O 3.48Å; C91-G104 PolarHBondContact O-N 2.95Å; G104-G106 VanDerWaalsContact C-N 3.33Å; G104-G106 PolarHBondContact O-N 2.63Å
105	Q	44.3	Very low	50.5	Low	111 Å²	111	79.8 Å²	79.8	52%	0.519	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	104.6	162.7	-119.2	176.8	-27.4	0	0	106.2	E1 Y90	E1-Q105 WeakPolarHBondContact CG-O 3.44Å; Y90-Q105 HydrophobicContact CD1-CG 4Å; Y90-Q105 HydrophobicContact CE1-CG 3.65Å
106	G	44	Very low	49.3	Very low	1 Å²	1	83.2 Å²	83.2	1%	0.01	43%	0.428	C	S	.	.			trans	-69.7	161.9	154.2	0	0	0	0	0	106.4	Y89 G104	Y89-G106 CarbonylContact O-C 3.56Å; Y89-G106 WeakPolarHBondContact O-CA 3.48Å; Y89-G106 PolarHBondContact O-N 2.61Å; G104-G106 VanDerWaalsContact C-N 3.33Å; G104-G106 PolarHBondContact O-N 2.63Å
107	T	46.4	Very low	48.6	Very low	46 Å²	46	86.1 Å²	86.1	28%	0.282	42%	0.419	S	S	.	.			trans	-114.3	0	173.4	51.9	0	0	0	0	108	S2 G3 L15	S2-T107 WeakPolarHBondContact CB-OG1 3.45Å; S2-T107 WeakPolarHBondContact O-CB 3.43Å; S2-T107 WeakPolarHBondContact O-CG2 3.41Å; S2-T107 PolarHBondContact O-OG1 3.34Å; S2-T107 PolarHBondContact OG-OG1 2.94Å; G3-T107 VanDerWaalsContact C-CB 3.47Å; G3-T107 VanDerWaalsContact O-CB 3.23Å; G3-T107 WeakPolarHBondContact O-CB 3.01Å; G3-T107 PolarHBondContact O-OG1 3.44Å; L15-T107 WeakPolarHBondContact CD1-O 3.47Å; L15-T107 WeakPolarHBondContact CD2-O 3.34Å

Retrieved 107 of 107 residues in 29.2 ms (Link to these results)

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