X5J563_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J563, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J563_MOUSE|X5J563
SGAELVKPGASVKVSCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPNSGNTNYNEKFKSKATLTVDKSSTTAYMQLSSLTSEDSAVYYCAR
					

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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	S	70.9	Confident	90.4	Very high	91 Å²	91	97.1 Å²	97.1	64%	0.636	63%	0.628	S	S	*	*				0	165.5	0	-68.3	0	0	0	0	111.8	S15	S1-S15 PolarHBondContact N-O 3.29Å; S1-S15 PolarHBondContact OG-N 3.26Å; S1-S15 PolarHBondContact OG-OG 3.03Å; S1-S15 VanDerWaalsContact OG-OG 3.12Å
2	G	84.7	Confident	90.9	Very high	70 Å²	70	90.6 Å²	90.6	72%	0.722	59%	0.585	S	S	*	*			trans	-94.2	-170.5	167.4	0	0	0	0	0	112.4
3	A	89.8	Confident	91.3	Very high	116 Å²	116	92.2 Å²	92.2	96%	0.959	58%	0.577	S	S	*	*			trans	-73.6	138.9	174.9	0	0	0	0	0	111.1
4	E	90.8	Very high	91.6	Very high	126 Å²	126	87.4 Å²	87.4	59%	0.589	55%	0.547	S	S	*	.			trans	-135.8	131.6	-179.8	-161.4	176.6	151.7	0	0	110.1	V6 V12	E4-V6 HydrophobicContact CG-CG1 3.88Å; E4-V6 WeakPolarHBondContact OE1-CG1 3.48Å; E4-V12 VanDerWaalsContact OE2-CG2 3.23Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.35Å
5	L	93	Very high	92	Very high	175 Å²	175	84.3 Å²	84.3	92%	0.916	53%	0.529	S	S	*	.			trans	-106.5	117.7	174.6	-176.8	67.8	0	0	0	108.7
6	V	92.9	Very high	92.3	Very high	53 Å²	53	79.9 Å²	79.9	32%	0.321	50%	0.502	S	S	.	.			trans	-125.4	155.6	-175.6	-60.9	0	0	0	0	111.3	E4 A10 L80	E4-V6 HydrophobicContact CG-CG1 3.88Å; E4-V6 WeakPolarHBondContact OE1-CG1 3.48Å; V6-A10 HydrophobicContact CB-CB 4.25Å; V6-L80 HydrophobicContact CG2-CD1 3.47Å; V6-L80 VanDerWaalsContact CG2-CD1 3.47Å
7	K	92.5	Very high	92.6	Very high	173 Å²	173	84.2 Å²	84.2	75%	0.752	51%	0.512	S	S	*	.			trans	-74.3	150.7	176.5	-64.4	-179.6	-178.6	178.6	0	110.7	A10	K7-A10 WeakPolarHBondContact O-CB 3.39Å; K7-A10 PolarHBondContact O-N 2.82Å; K7-A10 VanDerWaalsContact O-N 3.16Å
8	P	93.9	Very high	92.7	Very high	115 Å²	115	79.9 Å²	79.9	75%	0.747	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	142.4	169	-25.1	34.6	0	0	0	111.8	A10 L80	P8-A10 PolarHBondContact O-N 2.94Å; P8-L80 CarbonylContact C-O 3.56Å; P8-L80 WeakPolarHBondContact CA-O 3.29Å
9	G	94.2	Very high	92.8	Very high	53 Å²	53	80.9 Å²	80.9	55%	0.546	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-13	-175.9	0	0	0	0	0	114.9	L80	G9-L80 PolarHBondContact N-O 3.31Å
10	A	96	Very high	92.9	Very high	36 Å²	36	81.1 Å²	81.1	30%	0.298	52%	0.516	S	S	.	.			trans	-70.3	167.5	175.9	0	0	0	0	0	112.2	V6 K7 P8 S79 L80	V6-A10 HydrophobicContact CB-CB 4.25Å; K7-A10 WeakPolarHBondContact O-CB 3.39Å; K7-A10 PolarHBondContact O-N 2.82Å; K7-A10 VanDerWaalsContact O-N 3.16Å; P8-A10 PolarHBondContact O-N 2.94Å; A10-S79 PolarHBondContact O-N 2.82Å; A10-L80 WeakPolarHBondContact O-CB 3.33Å; A10-L80 VanDerWaalsContact O-CG 3.27Å; A10-L80 WeakPolarHBondContact O-CG 3.41Å; A10-L80 PolarHBondContact O-N 2.97Å
11	S	96	Very high	92.9	Very high	60 Å²	60	79.8 Å²	79.8	42%	0.42	50%	0.502	S	S	.	.			trans	-110.8	147.5	167.8	-62	0	0	0	0	110.2	L77 S78	S11-L77 CarbonylContact C-O 3.57Å; S11-L77 WeakPolarHBondContact CA-O 3.35Å; S11-L77 WeakPolarHBondContact CB-O 3.3Å; S11-S78 WeakPolarHBondContact OG-CA 3.37Å; S11-S78 WeakPolarHBondContact OG-CB 3.47Å; S11-S78 PolarHBondContact OG-OG 2.75Å; S11-S78 VanDerWaalsContact OG-OG 3.08Å
12	V	95.6	Very high	94.1	Very high	19 Å²	19	79.6 Å²	79.6	12%	0.115	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.2	174.6	71.3	0	0	0	0	110.3	E4 V14 Q76 L77 L80	E4-V12 VanDerWaalsContact OE2-CG2 3.23Å; E4-V12 WeakPolarHBondContact OE2-CG2 3.35Å; V12-V14 HydrophobicContact CG1-CG2 4.42Å; V12-Q76 CarbonylContact O-C 3.59Å; V12-Q76 VanDerWaalsContact O-CA 3.31Å; V12-Q76 WeakPolarHBondContact O-CA 3.34Å; V12-L77 HydrophobicContact CG1-CB 4.11Å; V12-L77 HydrophobicContact CG1-CD1 4.42Å; V12-L77 PolarHBondContact N-O 2.85Å; V12-L77 PolarHBondContact O-N 2.9Å; V12-L80 HydrophobicContact CB-CD1 4.02Å; V12-L80 HydrophobicContact CG1-CD1 3.79Å
13	K	96.4	Very high	94.6	Very high	112 Å²	112	76.7 Å²	76.7	49%	0.487	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	111.6	175.1	-172.2	176.1	-179.5	177.6	0	110.2	Y74	K13-Y74 HydrophobicContact CD-CD1 4.34Å; K13-Y74 VanDerWaalsContact CE-CD1 3.44Å; K13-Y74 VanDerWaalsContact CE-CG 3.49Å; K13-Y74 HydrophobicContact CG-CD1 4.29Å
14	V	96.3	Very high	95	Very high	24 Å²	24	73.4 Å²	73.4	15%	0.145	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.9	178.3	-168.8	0	0	0	0	109.3	V12 W30 Y74 M75	V12-V14 HydrophobicContact CG1-CG2 4.42Å; V14-W30 HydrophobicContact CB-CH2 4.28Å; V14-W30 HydrophobicContact CB-CZ3 4.03Å; V14-W30 HydrophobicContact CG1-CH2 4.14Å; V14-W30 HydrophobicContact CG1-CZ3 3.73Å; V14-Y74 CarbonylContact O-C 3.59Å; V14-Y74 WeakPolarHBondContact O-CA 3.39Å; V14-M75 HydrophobicContact CB-CE 4.47Å; V14-M75 HydrophobicContact CG2-CE 4.24Å; V14-M75 PolarHBondContact N-O 2.74Å; V14-M75 PolarHBondContact O-N 2.99Å
15	S	97.3	Very high	95.2	Very high	41 Å²	41	70.8 Å²	70.8	29%	0.287	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.8	178.1	69	0	0	0	0	111.9	S1 Y74	S1-S15 PolarHBondContact N-O 3.29Å; S1-S15 PolarHBondContact OG-N 3.26Å; S1-S15 PolarHBondContact OG-OG 3.03Å; S1-S15 VanDerWaalsContact OG-OG 3.12Å; S15-Y74 VanDerWaalsContact CB-CE1 3.45Å
16	C	96.9	Very high	95.3	Very high	14 Å²	14	67.9 Å²	67.9	10%	0.095	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	106.8	175.4	-178.8	0	0	0	0	109.5	W30 T72 A73 C90	C16-W30 HydrophobicContact CB-CH2 3.72Å; C16-W30 HydrophobicContact CB-CZ2 3.97Å; C16-T72 CarbonylContact O-C 3.44Å; C16-T72 WeakPolarHBondContact O-CA 3.12Å; C16-A73 PolarHBondContact N-O 3.18Å; C16-A73 PolarHBondContact O-N 3.15Å; C16-C90 HydrophobicContact CB-CB 3.45Å; C16-C90 VanDerWaalsContact CB-CB 3.45Å; C16-C90 WeakPolarHBondContact CB-SG 3.1Å; C16-C90 WeakPolarHBondContact SG-CB 3.41Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 2.62Å
17	K	96.8	Very high	95.5	Very high	153 Å²	153	69.5 Å²	69.5	67%	0.665	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.6	179.3	-172.6	174.6	-176.8	178.9	0	109.8
18	A	95.3	Very high	95.8	Very high	8 Å²	8	61.4 Å²	61.4	7%	0.066	37%	0.371	C	S	.	.			trans	-77.1	148	175.5	0	0	0	0	0	111.2	Y21 F23 T71	A18-Y21 HydrophobicContact CB-CE1 3.78Å; A18-Y21 HydrophobicContact CB-CE2 4.18Å; A18-Y21 VanDerWaalsContact CB-CZ 3.48Å; A18-Y21 VanDerWaalsContact CB-OH 3.27Å; A18-Y21 WeakPolarHBondContact CB-OH 3.43Å; A18-F23 HydrophobicContact CB-CB 4.11Å; A18-F23 HydrophobicContact CB-CD2 3.35Å; A18-F23 HydrophobicContact CB-CE2 4.02Å; A18-F23 HydrophobicContact CB-CG 3.99Å; A18-T71 PolarHBondContact N-O 2.95Å; A18-T71 PolarHBondContact O-OG1 3.21Å
19	S	94.3	Very high	96	Very high	98 Å²	98	58.4 Å²	58.4	69%	0.685	35%	0.347	S	S	*	.			trans	-153.4	150.5	172.7	60.7	0	0	0	0	110.5	Y21	S19-Y21 WeakPolarHBondContact O-CD1 3.37Å
20	G	94.7	Very high	96.2	Very high	85 Å²	85	56 Å²	56	88%	0.876	32%	0.321	S	S	*	.	S	Bend	trans	78.6	17.2	178	0	0	0	0	0	115.3
21	Y	92.7	Very high	96.3	Very high	54 Å²	54	55.3 Å²	55.3	21%	0.212	31%	0.314	C	S	.	.	S	Bend	trans	-163.7	167.4	174	63.1	-81.4	0	0	0	113.1	A18 S19 F23 Y26 M28 R92	A18-Y21 HydrophobicContact CB-CE1 3.78Å; A18-Y21 HydrophobicContact CB-CE2 4.18Å; A18-Y21 VanDerWaalsContact CB-CZ 3.48Å; A18-Y21 VanDerWaalsContact CB-OH 3.27Å; A18-Y21 WeakPolarHBondContact CB-OH 3.43Å; S19-Y21 WeakPolarHBondContact O-CD1 3.37Å; Y21-F23 HydrophobicContact CE2-CD2 4.48Å; Y21-F23 PolarHBondContact O-N 2.75Å; Y21-Y26 AromaticContact CD2-CD2 3.57Å; Y21-Y26 HydrophobicContact CD2-CD2 3.57Å; Y21-Y26 HydrophobicContact CD2-CE2 4.06Å; Y21-Y26 HydrophobicContact CD2-CG 4.44Å; Y21-Y26 HydrophobicContact CE2-CD2 4.02Å; Y21-M28 WeakPolarHBondContact OH-CE 3.48Å; Y21-R92 VanDerWaalsContact CE1-CZ 3.42Å
22	T	95.9	Very high	96.3	Very high	87 Å²	87	52.5 Å²	52.5	53%	0.534	29%	0.294	S	S	.	.			trans	-69.9	96	171.2	-50.8	0	0	0	0	110.2	T24 S25	T22-T24 PolarHBondContact O-N 2.84Å; T22-T24 VanDerWaalsContact O-N 3.11Å; T22-S25 WeakPolarHBondContact CB-OG 2.97Å; T22-S25 VanDerWaalsContact CG2-OG 3.26Å; T22-S25 WeakPolarHBondContact CG2-OG 2.97Å; T22-S25 WeakPolarHBondContact O-CB 3.21Å; T22-S25 PolarHBondContact O-N 2.83Å
23	F	95.9	Very high	96.4	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-51.6	-36.8	-176.1	175.5	-123.3	0	0	0	113.6	A18 Y21 S25 M28 P47 V66 T71 A73	A18-F23 HydrophobicContact CB-CB 4.11Å; A18-F23 HydrophobicContact CB-CD2 3.35Å; A18-F23 HydrophobicContact CB-CE2 4.02Å; A18-F23 HydrophobicContact CB-CG 3.99Å; Y21-F23 HydrophobicContact CE2-CD2 4.48Å; Y21-F23 PolarHBondContact O-N 2.75Å; F23-S25 PolarHBondContact O-N 3.06Å; F23-M28 HydrophobicContact CE2-CE 4.13Å; F23-P47 HydrophobicContact CD1-CB 3.89Å; F23-P47 HydrophobicContact CD1-CG 4.42Å; F23-P47 HydrophobicContact CD2-CB 4.47Å; F23-P47 HydrophobicContact CD2-CG 4.13Å; F23-P47 HydrophobicContact CE1-CB 3.54Å; F23-P47 HydrophobicContact CE1-CG 4.04Å; F23-P47 HydrophobicContact CE2-CB 4.17Å; F23-P47 HydrophobicContact CE2-CG 3.72Å; F23-P47 HydrophobicContact CG-CB 4.36Å; F23-P47 HydrophobicContact CG-CG 4.48Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 3.67Å; F23-P47 WeakPolarHBondContact O-CG 3.31Å; F23-V66 HydrophobicContact CE1-CB 4.47Å; F23-V66 HydrophobicContact CZ-CB 4.48Å; F23-V66 HydrophobicContact CZ-CG1 4.15Å; F23-T71 HydrophobicContact CB-CG2 4.07Å; F23-T71 HydrophobicContact CD1-CG2 4.38Å; F23-T71 HydrophobicContact CG-CG2 4.5Å; F23-A73 HydrophobicContact CE2-CB 4.34Å; F23-A73 HydrophobicContact CZ-CB 4.09Å
24	T	96.9	Very high	96.4	Very high	48 Å²	48	51.8 Å²	51.8	29%	0.294	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-74.1	-8.8	-178.6	50.4	0	0	0	0	114.6	T22 N48	T22-T24 PolarHBondContact O-N 2.84Å; T22-T24 VanDerWaalsContact O-N 3.11Å; T24-N48 WeakPolarHBondContact O-CB 3.01Å
25	S	96	Very high	96.2	Very high	71 Å²	71	56.4 Å²	56.4	50%	0.497	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-93.5	-8.1	-177	-58.4	0	0	0	0	114.5	T22 F23	T22-S25 WeakPolarHBondContact CB-OG 2.97Å; T22-S25 VanDerWaalsContact CG2-OG 3.26Å; T22-S25 WeakPolarHBondContact CG2-OG 2.97Å; T22-S25 WeakPolarHBondContact O-CB 3.21Å; T22-S25 PolarHBondContact O-N 2.83Å; F23-S25 PolarHBondContact O-N 3.06Å
26	Y	94.9	Very high	96	Very high	113 Å²	113	58.9 Å²	58.9	44%	0.443	35%	0.351	S	S	.	.	S	Bend	trans	-129.9	145.1	-173.6	-63.5	-87.4	0	0	0	111.4	Y21 P47 R92	Y21-Y26 AromaticContact CD2-CD2 3.57Å; Y21-Y26 HydrophobicContact CD2-CD2 3.57Å; Y21-Y26 HydrophobicContact CD2-CE2 4.06Å; Y21-Y26 HydrophobicContact CD2-CG 4.44Å; Y21-Y26 HydrophobicContact CE2-CD2 4.02Å; Y26-P47 WeakPolarHBondContact O-CD 3.17Å; Y26-P47 WeakPolarHBondContact O-CG 3.24Å; Y26-R92 HydrophobicContact CD1-CG 4.16Å; Y26-R92 HydrophobicContact CG-CG 4.13Å
27	W	97.7	Very high	95.8	Very high	87 Å²	87	63 Å²	63	33%	0.33	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-67.8	142.7	168.9	-69.5	88.1	0	0	0	110.5	M44 H46 N51	W27-M44 HydrophobicContact CB-CE 3.63Å; W27-M44 HydrophobicContact CD2-CE 3.23Å; W27-M44 HydrophobicContact CE3-CB 4.12Å; W27-M44 HydrophobicContact CE3-CE 3.35Å; W27-M44 HydrophobicContact CE3-CG 3.69Å; W27-M44 HydrophobicContact CE3-SD 4.31Å; W27-M44 HydrophobicContact CG-CE 3.35Å; W27-M44 HydrophobicContact CZ3-CE 4.07Å; W27-M44 HydrophobicContact CZ3-CG 3.98Å; W27-H46 AromaticContact CD1-CD2 3.8Å; W27-H46 HydrophobicContact CD2-CB 3.65Å; W27-H46 AromaticContact CD2-CD2 3.85Å; W27-H46 AromaticContact CE2-CD2 3.67Å; W27-H46 AromaticContact CE2-CG 3.92Å; W27-H46 HydrophobicContact CE3-CB 3.54Å; W27-H46 AromaticContact CG-CD2 3.96Å; W27-H46 HydrophobicContact CH2-CB 3.61Å; W27-H46 HydrophobicContact CZ2-CB 3.69Å; W27-H46 HydrophobicContact CZ3-CB 3.53Å; W27-H46 VanDerWaalsContact CZ3-N 3.33Å; W27-H46 AromaticContact NE1-CD2 3.59Å; W27-N51 HydrophobicContact CH2-CB 3.99Å; W27-N51 VanDerWaalsContact CZ3-O 3.29Å; W27-N51 WeakPolarHBondContact CZ3-O 3.45Å
28	M	98	Very high	95.7	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.02	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.6	170.2	-174.8	60.9	63.1	0	0	109	Y21 F23 M44 I45 A73 C90 A91	Y21-M28 WeakPolarHBondContact OH-CE 3.48Å; F23-M28 HydrophobicContact CE2-CE 4.13Å; M28-M44 CarbonylContact O-C 3.52Å; M28-M44 WeakPolarHBondContact O-CA 3.2Å; M28-I45 HydrophobicContact CB-CG2 4.15Å; M28-I45 PolarHBondContact N-O 2.83Å; M28-I45 PolarHBondContact O-N 2.94Å; M28-A73 HydrophobicContact CB-CB 4.15Å; M28-A73 HydrophobicContact CG-CB 3.67Å; M28-C90 HydrophobicContact SD-CB 3.78Å; M28-A91 VanDerWaalsContact SD-O 3.34Å
29	H	98.3	Very high	95.8	Very high	52 Å²	52	63.6 Å²	63.6	24%	0.241	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145	178	-65.6	-103.9	0	0	0	110.6	W41 M44 C90 A91	H29-W41 AromaticContact ND1-NE1 3.32Å; H29-W41 PolarHBondContact ND1-NE1 2.89Å; H29-M44 VanDerWaalsContact CE1-CE 3.46Å; H29-M44 WeakPolarHBondContact CE1-CE 3.27Å; H29-M44 VanDerWaalsContact CE1-SD 3.5Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 VanDerWaalsContact O-CA 3.24Å; H29-C90 WeakPolarHBondContact O-CA 3.3Å; H29-A91 PolarHBondContact N-O 2.74Å; H29-A91 PolarHBondContact O-N 2.93Å
30	W	98.4	Very high	95.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.9	173.4	-68.5	90	0	0	0	110.2	V14 C16 I42 G43 L64 A73 M75 Y89 C90	V14-W30 HydrophobicContact CB-CH2 4.28Å; V14-W30 HydrophobicContact CB-CZ3 4.03Å; V14-W30 HydrophobicContact CG1-CH2 4.14Å; V14-W30 HydrophobicContact CG1-CZ3 3.73Å; C16-W30 HydrophobicContact CB-CH2 3.72Å; C16-W30 HydrophobicContact CB-CZ2 3.97Å; W30-I42 HydrophobicContact CB-CB 4.14Å; W30-I42 HydrophobicContact CB-CD1 4.34Å; W30-I42 WeakPolarHBondContact O-CB 3.06Å; W30-I42 PolarHBondContact O-N 3.14Å; W30-G43 PolarHBondContact N-O 2.63Å; W30-L64 HydrophobicContact CG-CD2 4.03Å; W30-A73 HydrophobicContact CZ2-CB 4.2Å; W30-M75 HydrophobicContact CB-SD 3.93Å; W30-M75 HydrophobicContact CD2-CB 3.62Å; W30-M75 HydrophobicContact CD2-CE 4.44Å; W30-M75 HydrophobicContact CD2-CG 4.41Å; W30-M75 HydrophobicContact CD2-SD 4.09Å; W30-M75 HydrophobicContact CE3-CB 3.78Å; W30-M75 HydrophobicContact CE3-CE 3.79Å; W30-M75 HydrophobicContact CE3-SD 4.03Å; W30-M75 HydrophobicContact CG-CB 4.18Å; W30-M75 HydrophobicContact CG-SD 4.07Å; W30-M75 HydrophobicContact CH2-CB 4.02Å; W30-M75 HydrophobicContact CZ2-CB 3.88Å; W30-M75 HydrophobicContact CZ3-CB 3.97Å; W30-M75 HydrophobicContact CZ3-CE 4.24Å; W30-Y89 WeakPolarHBondContact CA-O 3.38Å; W30-C90 HydrophobicContact CD2-CB 4.43Å; W30-C90 HydrophobicContact CE3-CB 4.19Å; W30-C90 HydrophobicContact CH2-CB 4.28Å; W30-C90 HydrophobicContact CZ2-CB 4.48Å; W30-C90 HydrophobicContact CZ3-CB 4.12Å
31	V	98	Very high	96	Very high	22 Å²	22	60.2 Å²	60.2	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.2	-173.6	-174.1	0	0	0	0	109.5	L39 E40 Y88 Y89	V31-L39 HydrophobicContact CG1-CB 3.76Å; V31-L39 HydrophobicContact CG1-CD2 3.93Å; V31-L39 HydrophobicContact CG1-CG 4.29Å; V31-E40 WeakPolarHBondContact CA-O 3.45Å; V31-Y88 CarbonylContact O-C 3.49Å; V31-Y88 WeakPolarHBondContact O-CA 3.43Å; V31-Y89 PolarHBondContact N-O 2.59Å; V31-Y89 PolarHBondContact O-N 3.48Å
32	K	97	Very high	96.3	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.6	173.9	-179.2	-179.6	-177.5	176.5	0	109.7	E40 I42 F58 E83 D84 A86 Y88	K32-E40 HydrophobicContact CB-CB 4.33Å; K32-E40 PolarHBondContact N-O 2.96Å; K32-E40 PolarHBondContact O-N 2.9Å; K32-I42 HydrophobicContact CB-CD1 3.99Å; K32-I42 HydrophobicContact CB-CG1 4.16Å; K32-F58 HydrophobicContact CD-CE1 3.95Å; K32-F58 HydrophobicContact CD-CZ 4.02Å; K32-E83 WeakPolarHBondContact CE-O 3.39Å; K32-E83 PolarHBondContact NZ-O 3.42Å; K32-D84 IonicContact NZ-OD1 3.64Å; K32-D84 PolarHBondContact NZ-OD1 3.46Å; K32-A86 HydrophobicContact CD-CB 4.21Å; K32-A86 HydrophobicContact CG-CB 3.52Å; K32-Y88 HydrophobicContact CB-CD1 4.12Å; K32-Y88 HydrophobicContact CB-CE1 3.86Å; K32-Y88 HydrophobicContact CD-CE1 4.01Å; K32-Y88 HydrophobicContact CG-CD1 4.33Å; K32-Y88 HydrophobicContact CG-CE1 3.75Å
33	Q	96.8	Very high	96.4	Very high	66 Å²	66	53.5 Å²	53.5	31%	0.308	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.6	171.7	-170.8	-178.4	33.9	0	0	110.2	L39 A86 V87 Y89	Q33-L39 HydrophobicContact CB-CD2 3.88Å; Q33-L39 HydrophobicContact CG-CD2 3.97Å; Q33-A86 WeakPolarHBondContact O-CB 3.43Å; Q33-V87 PolarHBondContact N-O 3.12Å; Q33-V87 PolarHBondContact O-N 2.76Å; Q33-Y89 HydrophobicContact CB-CD2 4.37Å; Q33-Y89 HydrophobicContact CB-CE2 3.71Å; Q33-Y89 VanDerWaalsContact OE1-CE2 3.24Å; Q33-Y89 PolarHBondContact OE1-OH 3.43Å
34	R	95.4	Very high	96.6	Very high	50 Å²	50	54.7 Å²	54.7	19%	0.189	31%	0.309	C	S	.	.			trans	-89.5	150	169.6	-59.4	-165.9	-169.5	94.7	-4.5	110.5	G36 Q37 E40 E83 A86	R34-G36 PolarHBondContact O-N 3.48Å; R34-Q37 HydrophobicContact CB-CB 4.03Å; R34-Q37 HydrophobicContact CB-CG 4.06Å; R34-Q37 PolarHBondContact O-N 3.42Å; R34-E40 IonicContact CZ-OE1 3.54Å; R34-E40 IonicContact NH1-OE1 2.54Å; R34-E40 PolarHBondContact NH1-OE1 2.93Å; R34-E40 IonicContact NH2-OE1 3.46Å; R34-E83 VanDerWaalsContact CZ-O 3.29Å; R34-E83 PolarHBondContact NE-O 2.97Å; R34-E83 PolarHBondContact NH2-O 2.8Å; R34-A86 HydrophobicContact CG-CB 4.14Å
35	P	93.1	Very high	96.6	Very high	121 Å²	121	52.6 Å²	52.6	79%	0.786	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	129.4	171.1	-24.8	34.3	0	0	0	111.2	Q37	P35-Q37 PolarHBondContact O-N 2.54Å
36	G	93.6	Very high	96.7	Very high	93 Å²	93	50.8 Å²	50.8	96%	0.959	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	4.3	-179.3	0	0	0	0	0	115.6	R34	R34-G36 PolarHBondContact O-N 3.48Å
37	Q	93.1	Very high	96.9	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	26%	0.258	S	S	.	.	S	Bend	trans	-116.1	159.9	175.7	-58.9	-173.5	-3.5	0	0	111.5	R34 P35	R34-Q37 HydrophobicContact CB-CB 4.03Å; R34-Q37 HydrophobicContact CB-CG 4.06Å; R34-Q37 PolarHBondContact O-N 3.42Å; P35-Q37 PolarHBondContact O-N 2.54Å
38	G	93.9	Very high	96.8	Very high	56 Å²	56	45.7 Å²	45.7	58%	0.577	27%	0.267	S	S	*	.			trans	-68.6	176.5	173.5	0	0	0	0	0	113.1
39	L	96.5	Very high	96.8	Very high	118 Å²	118	49.2 Å²	49.2	62%	0.618	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	126.5	172.9	-64.6	178.3	0	0	0	110.3	V31 Q33	V31-L39 HydrophobicContact CG1-CB 3.76Å; V31-L39 HydrophobicContact CG1-CD2 3.93Å; V31-L39 HydrophobicContact CG1-CG 4.29Å; Q33-L39 HydrophobicContact CB-CD2 3.88Å; Q33-L39 HydrophobicContact CG-CD2 3.97Å
40	E	97.2	Very high	96.7	Very high	35 Å²	35	48.4 Å²	48.4	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.9	173.5	-64.3	-168	-92.3	0	0	109.6	V31 K32 R34 I42 K57 F58	V31-E40 WeakPolarHBondContact CA-O 3.45Å; K32-E40 HydrophobicContact CB-CB 4.33Å; K32-E40 PolarHBondContact N-O 2.96Å; K32-E40 PolarHBondContact O-N 2.9Å; R34-E40 IonicContact CZ-OE1 3.54Å; R34-E40 IonicContact NH1-OE1 2.54Å; R34-E40 PolarHBondContact NH1-OE1 2.93Å; R34-E40 IonicContact NH2-OE1 3.46Å; E40-I42 PolarHBondContact O-N 3.07Å; E40-K57 IonicContact OE2-NZ 2.75Å; E40-F58 HydrophobicContact CB-CE2 4.43Å; E40-F58 HydrophobicContact CB-CZ 4.35Å
41	W	97.9	Very high	96.7	Very high	78 Å²	78	52.9 Å²	52.9	30%	0.295	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.2	175.4	-179	73.3	0	0	0	110.7	H29 G43 M44 N53 N55	H29-W41 AromaticContact ND1-NE1 3.32Å; H29-W41 PolarHBondContact ND1-NE1 2.89Å; W41-G43 PolarHBondContact NE1-O 3.2Å; W41-G43 VanDerWaalsContact NE1-O 3.14Å; W41-M44 HydrophobicContact CZ2-CB 4.01Å; W41-M44 HydrophobicContact CZ2-CG 3.79Å; W41-M44 HydrophobicContact CZ2-SD 3.79Å; W41-N53 HydrophobicContact CH2-CB 4.33Å; W41-N55 HydrophobicContact CE3-CB 3.8Å; W41-N55 HydrophobicContact CZ3-CB 3.98Å; W41-N55 WeakPolarHBondContact O-CB 3.46Å; W41-N55 PolarHBondContact O-ND2 2.91Å
42	I	98.3	Very high	96.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-48.6	-177.1	-59.9	175	0	0	0	110.3	W30 K32 E40 N55 F58 A62 M75 Y88	W30-I42 HydrophobicContact CB-CB 4.14Å; W30-I42 HydrophobicContact CB-CD1 4.34Å; W30-I42 WeakPolarHBondContact O-CB 3.06Å; W30-I42 PolarHBondContact O-N 3.14Å; K32-I42 HydrophobicContact CB-CD1 3.99Å; K32-I42 HydrophobicContact CB-CG1 4.16Å; E40-I42 PolarHBondContact O-N 3.07Å; I42-N55 PolarHBondContact O-N 2.02Å; I42-F58 HydrophobicContact CB-CD2 4.38Å; I42-F58 HydrophobicContact CB-CG 4.33Å; I42-F58 HydrophobicContact CG1-CD1 4.31Å; I42-F58 HydrophobicContact CG1-CD2 4.33Å; I42-F58 HydrophobicContact CG1-CE1 4.32Å; I42-F58 HydrophobicContact CG1-CE2 4.32Å; I42-F58 HydrophobicContact CG1-CG 4.32Å; I42-F58 HydrophobicContact CG1-CZ 4.32Å; I42-F58 HydrophobicContact CG2-CB 3.77Å; I42-F58 HydrophobicContact CG2-CD1 4.29Å; I42-F58 HydrophobicContact CG2-CD2 4.43Å; I42-F58 HydrophobicContact CG2-CG 3.92Å; I42-A62 HydrophobicContact CG2-CB 3.75Å; I42-M75 HydrophobicContact CD1-CE 4.05Å; I42-M75 HydrophobicContact CD1-SD 3.57Å; I42-M75 VanDerWaalsContact CD1-SD 3.57Å; I42-M75 HydrophobicContact CG2-SD 3.99Å; I42-Y88 HydrophobicContact CD1-CD1 3.74Å; I42-Y88 HydrophobicContact CD1-CE1 3.84Å
43	G	98.4	Very high	96.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	179.3	-172.1	0	0	0	0	0	112.3	W30 W41 N53	W30-G43 PolarHBondContact N-O 2.63Å; W41-G43 PolarHBondContact NE1-O 3.2Å; W41-G43 VanDerWaalsContact NE1-O 3.14Å; G43-N53 CarbonylContact C-O 3.57Å; G43-N53 WeakPolarHBondContact CA-O 3.41Å
44	M	98.4	Very high	96.8	Very high	32 Å²	32	57.3 Å²	57.3	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152	176	64.7	-160.5	-80.1	0	0	111.2	W27 M28 H29 W41 T52 N53	W27-M44 HydrophobicContact CB-CE 3.63Å; W27-M44 HydrophobicContact CD2-CE 3.23Å; W27-M44 HydrophobicContact CE3-CB 4.12Å; W27-M44 HydrophobicContact CE3-CE 3.35Å; W27-M44 HydrophobicContact CE3-CG 3.69Å; W27-M44 HydrophobicContact CE3-SD 4.31Å; W27-M44 HydrophobicContact CG-CE 3.35Å; W27-M44 HydrophobicContact CZ3-CE 4.07Å; W27-M44 HydrophobicContact CZ3-CG 3.98Å; M28-M44 CarbonylContact O-C 3.52Å; M28-M44 WeakPolarHBondContact O-CA 3.2Å; H29-M44 VanDerWaalsContact CE1-CE 3.46Å; H29-M44 WeakPolarHBondContact CE1-CE 3.27Å; H29-M44 VanDerWaalsContact CE1-SD 3.5Å; W41-M44 HydrophobicContact CZ2-CB 4.01Å; W41-M44 HydrophobicContact CZ2-CG 3.79Å; W41-M44 HydrophobicContact CZ2-SD 3.79Å; M44-T52 VanDerWaalsContact O-CA 3.3Å; M44-T52 WeakPolarHBondContact O-CA 3.43Å; M44-N53 HydrophobicContact CG-CB 4.1Å; M44-N53 PolarHBondContact N-O 3.16Å; M44-N53 PolarHBondContact O-N 2.78Å
45	I	98.6	Very high	96.9	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.1	174.7	-175.5	159.6	0	0	0	110	M28 P47 N51 T52 L64 V66	M28-I45 HydrophobicContact CB-CG2 4.15Å; M28-I45 PolarHBondContact N-O 2.83Å; M28-I45 PolarHBondContact O-N 2.94Å; I45-P47 WeakPolarHBondContact O-CD 3.21Å; I45-N51 CarbonylContact C-O 3.54Å; I45-N51 WeakPolarHBondContact CA-O 3.37Å; I45-T52 HydrophobicContact CB-CG2 3.95Å; I45-T52 HydrophobicContact CD1-CG2 3.67Å; I45-T52 HydrophobicContact CG1-CG2 3.75Å; I45-L64 HydrophobicContact CB-CB 4.05Å; I45-L64 HydrophobicContact CB-CD1 4.34Å; I45-L64 HydrophobicContact CD1-CB 4.16Å; I45-L64 HydrophobicContact CG2-CB 4.26Å; I45-V66 HydrophobicContact CD1-CG1 3.83Å; I45-V66 HydrophobicContact CD1-CG2 4.32Å; I45-V66 HydrophobicContact CG1-CG1 3.97Å; I45-V66 HydrophobicContact CG2-CG1 3.84Å
46	H	98.1	Very high	97.1	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.153	34%	0.34	C	S	.	.			trans	-89	112.3	173.3	-169.5	-113.4	0	0	0	109.2	W27 N48 S49 G50 N51	W27-H46 AromaticContact CD1-CD2 3.8Å; W27-H46 HydrophobicContact CD2-CB 3.65Å; W27-H46 AromaticContact CD2-CD2 3.85Å; W27-H46 AromaticContact CE2-CD2 3.67Å; W27-H46 AromaticContact CE2-CG 3.92Å; W27-H46 HydrophobicContact CE3-CB 3.54Å; W27-H46 AromaticContact CG-CD2 3.96Å; W27-H46 HydrophobicContact CH2-CB 3.61Å; W27-H46 HydrophobicContact CZ2-CB 3.69Å; W27-H46 HydrophobicContact CZ3-CB 3.53Å; W27-H46 VanDerWaalsContact CZ3-N 3.33Å; W27-H46 AromaticContact NE1-CD2 3.59Å; H46-N48 PolarHBondContact O-N 2.89Å; H46-N48 VanDerWaalsContact O-N 3.15Å; H46-S49 WeakPolarHBondContact CB-OG 3.15Å; H46-S49 PolarHBondContact ND1-N 3.37Å; H46-S49 PolarHBondContact ND1-OG 3.39Å; H46-S49 PolarHBondContact O-N 2.78Å; H46-G50 WeakPolarHBondContact O-CA 3.23Å; H46-G50 PolarHBondContact O-N 3.04Å; H46-N51 PolarHBondContact N-O 2.93Å
47	P	97.5	Very high	97.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.1	-170.1	-22.5	34.9	0	0	0	114.1	F23 Y26 I45 V66 K68	F23-P47 HydrophobicContact CD1-CB 3.89Å; F23-P47 HydrophobicContact CD1-CG 4.42Å; F23-P47 HydrophobicContact CD2-CB 4.47Å; F23-P47 HydrophobicContact CD2-CG 4.13Å; F23-P47 HydrophobicContact CE1-CB 3.54Å; F23-P47 HydrophobicContact CE1-CG 4.04Å; F23-P47 HydrophobicContact CE2-CB 4.17Å; F23-P47 HydrophobicContact CE2-CG 3.72Å; F23-P47 HydrophobicContact CG-CB 4.36Å; F23-P47 HydrophobicContact CG-CG 4.48Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 3.67Å; F23-P47 WeakPolarHBondContact O-CG 3.31Å; Y26-P47 WeakPolarHBondContact O-CD 3.17Å; Y26-P47 WeakPolarHBondContact O-CG 3.24Å; I45-P47 WeakPolarHBondContact O-CD 3.21Å; P47-V66 HydrophobicContact CB-CB 4.44Å; P47-V66 HydrophobicContact CB-CG1 4.04Å; P47-V66 HydrophobicContact CG-CG1 4.24Å; P47-K68 WeakPolarHBondContact O-CE 3.43Å
48	N	97.3	Very high	97.3	Very high	94 Å²	94	56 Å²	56	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-49.9	175.7	-169.7	29.8	0	0	0	112.9	T24 H46 K68	T24-N48 WeakPolarHBondContact O-CB 3.01Å; H46-N48 PolarHBondContact O-N 2.89Å; H46-N48 VanDerWaalsContact O-N 3.15Å; N48-K68 PolarHBondContact O-NZ 3.32Å
49	S	97.3	Very high	97.3	Very high	77 Å²	77	58.8 Å²	58.8	54%	0.538	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.1	-172.7	54.3	0	0	0	0	113.6	H46 N51	H46-S49 WeakPolarHBondContact CB-OG 3.15Å; H46-S49 PolarHBondContact ND1-N 3.37Å; H46-S49 PolarHBondContact ND1-OG 3.39Å; H46-S49 PolarHBondContact O-N 2.78Å; S49-N51 PolarHBondContact O-N 3.14Å
50	G	96.4	Very high	97.3	Very high	36 Å²	36	58.9 Å²	58.9	37%	0.371	31%	0.312	S	S	.	.			trans	69.5	6.2	-171.8	0	0	0	0	0	113.5	H46 T52	H46-G50 WeakPolarHBondContact O-CA 3.23Å; H46-G50 PolarHBondContact O-N 3.04Å; G50-T52 PolarHBondContact O-N 2.84Å
51	N	98.1	Very high	97.2	Very high	96 Å²	96	59.1 Å²	59.1	51%	0.513	31%	0.313	S	S	.	.			trans	-64.6	137.3	178.8	-165.7	-9.8	0	0	0	109.5	W27 I45 H46 S49	W27-N51 HydrophobicContact CH2-CB 3.99Å; W27-N51 VanDerWaalsContact CZ3-O 3.29Å; W27-N51 WeakPolarHBondContact CZ3-O 3.45Å; I45-N51 CarbonylContact C-O 3.54Å; I45-N51 WeakPolarHBondContact CA-O 3.37Å; H46-N51 PolarHBondContact N-O 2.93Å; S49-N51 PolarHBondContact O-N 3.14Å
52	T	98.3	Very high	97.2	Very high	50 Å²	50	55.5 Å²	55.5	31%	0.307	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	-176.9	53.1	0	0	0	0	110.5	M44 I45 G50 Y54 L64	M44-T52 VanDerWaalsContact O-CA 3.3Å; M44-T52 WeakPolarHBondContact O-CA 3.43Å; I45-T52 HydrophobicContact CB-CG2 3.95Å; I45-T52 HydrophobicContact CD1-CG2 3.67Å; I45-T52 HydrophobicContact CG1-CG2 3.75Å; G50-T52 PolarHBondContact O-N 2.84Å; T52-Y54 HydrophobicContact CG2-CE2 4.41Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.45Å; T52-L64 HydrophobicContact CG2-CB 4.15Å
53	N	98.1	Very high	97.2	Very high	92 Å²	92	58.8 Å²	58.8	49%	0.492	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.1	166.4	-167.3	13	0	0	0	108.9	W41 G43 M44	W41-N53 HydrophobicContact CH2-CB 4.33Å; G43-N53 CarbonylContact C-O 3.57Å; G43-N53 WeakPolarHBondContact CA-O 3.41Å; M44-N53 HydrophobicContact CG-CB 4.1Å; M44-N53 PolarHBondContact N-O 3.16Å; M44-N53 PolarHBondContact O-N 2.78Å
54	Y	98.4	Very high	97.2	Very high	40 Å²	40	59.1 Å²	59.1	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.4	-174.5	-66	-90.5	0	0	0	110.2	T52 K59 A62 L64	T52-Y54 HydrophobicContact CG2-CE2 4.41Å; T52-Y54 WeakPolarHBondContact OG1-CE2 3.45Å; Y54-K59 HydrophobicContact CG-CG 4.47Å; Y54-A62 HydrophobicContact CE1-CB 4.29Å; Y54-A62 WeakPolarHBondContact CE1-O 2.89Å; Y54-L64 HydrophobicContact CE1-CD1 4.02Å; Y54-L64 HydrophobicContact CE1-CG 3.67Å; Y54-L64 PolarHBondContact OH-N 2.93Å
55	N	97.6	Very high	97.2	Very high	46 Å²	46	60.5 Å²	60.5	25%	0.246	33%	0.331	C	S	.	.			trans	-71.9	132.9	157.1	-177.9	-26.5	0	0	0	108.4	W41 I42 K57 F58 K59	W41-N55 HydrophobicContact CE3-CB 3.8Å; W41-N55 HydrophobicContact CZ3-CB 3.98Å; W41-N55 WeakPolarHBondContact O-CB 3.46Å; W41-N55 PolarHBondContact O-ND2 2.91Å; I42-N55 PolarHBondContact O-N 2.02Å; N55-K57 PolarHBondContact O-N 2.82Å; N55-K57 VanDerWaalsContact O-N 3.07Å; N55-K57 PolarHBondContact OD1-N 3.16Å; N55-K57 VanDerWaalsContact OD1-N 3.14Å; N55-F58 HydrophobicContact CB-CD2 4.03Å; N55-F58 PolarHBondContact O-N 3.48Å; N55-K59 PolarHBondContact O-N 3.29Å; N55-K59 VanDerWaalsContact O-N 3.16Å
56	E	96.6	Very high	97.2	Very high	130 Å²	130	62.1 Å²	62.1	61%	0.607	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.9	-177.3	-69.1	-60.2	147.8	0	0	112.7	F58 K59	E56-F58 PolarHBondContact O-N 2.9Å; E56-K59 PolarHBondContact O-N 2.92Å; E56-K59 IonicContact OE1-NZ 3.29Å; E56-K59 PolarHBondContact OE1-NZ 2.9Å; E56-K59 WeakPolarHBondContact OE2-CD 3.27Å; E56-K59 IonicContact OE2-NZ 3.95Å; E56-K59 PolarHBondContact OE2-NZ 3.12Å
57	K	94.4	Very high	97.1	Very high	149 Å²	149	63 Å²	63	65%	0.648	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29	175.2	-68.3	-174.6	-179	-178	0	114.2	E40 N55	E40-K57 IonicContact OE2-NZ 2.75Å; N55-K57 PolarHBondContact O-N 2.82Å; N55-K57 VanDerWaalsContact O-N 3.07Å; N55-K57 PolarHBondContact OD1-N 3.16Å; N55-K57 VanDerWaalsContact OD1-N 3.14Å
58	F	96.1	Very high	97	Very high	10 Å²	10	68.1 Å²	68.1	4%	0.044	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-6.5	-172.5	-62.4	-82.7	0	0	0	113.2	K32 E40 I42 N55 E56 S60 K61 A62	K32-F58 HydrophobicContact CD-CE1 3.95Å; K32-F58 HydrophobicContact CD-CZ 4.02Å; E40-F58 HydrophobicContact CB-CE2 4.43Å; E40-F58 HydrophobicContact CB-CZ 4.35Å; I42-F58 HydrophobicContact CB-CD2 4.38Å; I42-F58 HydrophobicContact CB-CG 4.33Å; I42-F58 HydrophobicContact CG1-CD1 4.31Å; I42-F58 HydrophobicContact CG1-CD2 4.33Å; I42-F58 HydrophobicContact CG1-CE1 4.32Å; I42-F58 HydrophobicContact CG1-CE2 4.32Å; I42-F58 HydrophobicContact CG1-CG 4.32Å; I42-F58 HydrophobicContact CG1-CZ 4.32Å; I42-F58 HydrophobicContact CG2-CB 3.77Å; I42-F58 HydrophobicContact CG2-CD1 4.29Å; I42-F58 HydrophobicContact CG2-CD2 4.43Å; I42-F58 HydrophobicContact CG2-CG 3.92Å; N55-F58 HydrophobicContact CB-CD2 4.03Å; N55-F58 PolarHBondContact O-N 3.48Å; E56-F58 PolarHBondContact O-N 2.9Å; F58-S60 VanDerWaalsContact C-N 3.26Å; F58-S60 PolarHBondContact O-N 3.2Å; F58-K61 PolarHBondContact O-N 2.8Å; F58-A62 HydrophobicContact CB-CB 4.32Å; F58-A62 PolarHBondContact O-N 2.89Å
59	K	95	Very high	96.9	Very high	114 Å²	114	68.9 Å²	68.9	50%	0.496	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33	-173.3	-167.2	176.6	-170.8	173.2	0	114.1	Y54 N55 E56	Y54-K59 HydrophobicContact CG-CG 4.47Å; N55-K59 PolarHBondContact O-N 3.29Å; N55-K59 VanDerWaalsContact O-N 3.16Å; E56-K59 PolarHBondContact O-N 2.92Å; E56-K59 IonicContact OE1-NZ 3.29Å; E56-K59 PolarHBondContact OE1-NZ 2.9Å; E56-K59 WeakPolarHBondContact OE2-CD 3.27Å; E56-K59 IonicContact OE2-NZ 3.95Å; E56-K59 PolarHBondContact OE2-NZ 3.12Å
60	S	95	Very high	96.9	Very high	121 Å²	121	66.9 Å²	66.9	85%	0.846	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.1	175.8	58.2	0	0	0	0	113.8	F58	F58-S60 VanDerWaalsContact C-N 3.26Å; F58-S60 PolarHBondContact O-N 3.2Å
61	K	95.5	Very high	96.9	Very high	39 Å²	39	67.6 Å²	67.6	17%	0.17	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-34.1	-167.4	-156.6	171.1	-164.6	169.6	0	113.6	F58 L77 S78 S79 D84	F58-K61 PolarHBondContact O-N 2.8Å; K61-L77 WeakPolarHBondContact O-CA 3.36Å; K61-S78 WeakPolarHBondContact CE-O 3.16Å; K61-S78 WeakPolarHBondContact CG-O 3.34Å; K61-S78 PolarHBondContact O-N 3.22Å; K61-S79 WeakPolarHBondContact CE-O 3.39Å; K61-D84 WeakPolarHBondContact CE-OD2 3.5Å; K61-D84 IonicContact NZ-OD1 2.8Å; K61-D84 PolarHBondContact NZ-OD1 3.15Å; K61-D84 IonicContact NZ-OD2 2.91Å; K61-D84 PolarHBondContact NZ-OD2 2.9Å
62	A	97.7	Very high	96.9	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.6	-177.5	0	0	0	0	0	110.9	I42 Y54 F58 Q76 L77	I42-A62 HydrophobicContact CG2-CB 3.75Å; Y54-A62 HydrophobicContact CE1-CB 4.29Å; Y54-A62 WeakPolarHBondContact CE1-O 2.89Å; F58-A62 HydrophobicContact CB-CB 4.32Å; F58-A62 PolarHBondContact O-N 2.89Å; A62-Q76 CarbonylContact C-O 3.59Å; A62-Q76 WeakPolarHBondContact CA-O 3.2Å; A62-L77 HydrophobicContact CB-CD2 3.88Å
63	T	98.4	Very high	96.9	Very high	69 Å²	69	61.1 Å²	61.1	42%	0.423	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.6	169.2	-58	0	0	0	0	108.8	T65 M75 Q76	T63-T65 HydrophobicContact CG2-CG2 4.36Å; T63-M75 WeakPolarHBondContact O-CA 3.42Å; T63-Q76 PolarHBondContact N-O 2.81Å; T63-Q76 PolarHBondContact O-N 2.98Å
64	L	98.5	Very high	96.9	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.8	179.6	-52.9	-175.9	0	0	0	110.3	W30 I45 T52 Y54 Y74 M75	W30-L64 HydrophobicContact CG-CD2 4.03Å; I45-L64 HydrophobicContact CB-CB 4.05Å; I45-L64 HydrophobicContact CB-CD1 4.34Å; I45-L64 HydrophobicContact CD1-CB 4.16Å; I45-L64 HydrophobicContact CG2-CB 4.26Å; T52-L64 HydrophobicContact CG2-CB 4.15Å; Y54-L64 HydrophobicContact CE1-CD1 4.02Å; Y54-L64 HydrophobicContact CE1-CG 3.67Å; Y54-L64 PolarHBondContact OH-N 2.93Å; L64-Y74 WeakPolarHBondContact CA-O 3.31Å; L64-M75 HydrophobicContact CD2-CB 3.75Å; L64-M75 HydrophobicContact CD2-CG 3.69Å; L64-M75 HydrophobicContact CD2-SD 4.36Å
65	T	98.4	Very high	96.9	Very high	60 Å²	60	57.2 Å²	57.2	37%	0.368	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.2	177.3	55.9	0	0	0	0	110.6	T63 Y74	T63-T65 HydrophobicContact CG2-CG2 4.36Å; T65-Y74 PolarHBondContact N-O 3.25Å; T65-Y74 PolarHBondContact O-N 3.03Å
66	V	98	Very high	96.9	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.3	177	-68.7	0	0	0	0	110.6	F23 I45 P47 A73	F23-V66 HydrophobicContact CE1-CB 4.47Å; F23-V66 HydrophobicContact CZ-CB 4.48Å; F23-V66 HydrophobicContact CZ-CG1 4.15Å; I45-V66 HydrophobicContact CD1-CG1 3.83Å; I45-V66 HydrophobicContact CD1-CG2 4.32Å; I45-V66 HydrophobicContact CG1-CG1 3.97Å; I45-V66 HydrophobicContact CG2-CG1 3.84Å; P47-V66 HydrophobicContact CB-CB 4.44Å; P47-V66 HydrophobicContact CB-CG1 4.04Å; P47-V66 HydrophobicContact CG-CG1 4.24Å; V66-A73 HydrophobicContact CG1-CB 4.22Å
67	D	97.2	Very high	97	Very high	52 Å²	52	52.6 Å²	52.6	28%	0.278	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	107.4	164.2	175.7	5.1	0	0	0	108.2	S69 S70 T71 T72 Y74	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 2.8Å; D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 2.9Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-OG 2.86Å; D67-S70 WeakPolarHBondContact CB-OG 3.32Å; D67-S70 PolarHBondContact OD1-N 2.91Å; D67-S70 VanDerWaalsContact OD2-CB 3.3Å; D67-S70 WeakPolarHBondContact OD2-CB 3.45Å; D67-S70 PolarHBondContact OD2-OG 2.89Å; D67-T71 PolarHBondContact O-N 3.08Å; D67-T71 VanDerWaalsContact O-N 3.12Å; D67-T72 PolarHBondContact N-O 2.83Å; D67-T72 PolarHBondContact O-N 3Å; D67-Y74 HydrophobicContact CB-CE2 3.85Å
68	K	95.5	Very high	97.1	Very high	107 Å²	107	47.1 Å²	47.1	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-32.3	-179	-57.4	-175.6	-167.5	-168.5	0	111.7	P47 N48 T71	P47-K68 WeakPolarHBondContact O-CE 3.43Å; N48-K68 PolarHBondContact O-NZ 3.32Å; K68-T71 PolarHBondContact O-N 3.39Å
69	S	95.4	Very high	97	Very high	110 Å²	110	50.6 Å²	50.6	77%	0.769	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-40.4	-175.8	72.1	0	0	0	0	111.6	D67	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 2.8Å; D67-S69 WeakPolarHBondContact OD1-CB 3.49Å; D67-S69 PolarHBondContact OD1-N 2.9Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-OG 2.86Å
70	S	96.6	Very high	97	Very high	35 Å²	35	45.9 Å²	45.9	25%	0.245	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.5	176.7	67.8	0	0	0	0	113.6	D67 T72	D67-S70 WeakPolarHBondContact CB-OG 3.32Å; D67-S70 PolarHBondContact OD1-N 2.91Å; D67-S70 VanDerWaalsContact OD2-CB 3.3Å; D67-S70 WeakPolarHBondContact OD2-CB 3.45Å; D67-S70 PolarHBondContact OD2-OG 2.89Å; S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact O-OG1 2.98Å; S70-T72 WeakPolarHBondContact OG-CB 3.39Å; S70-T72 PolarHBondContact OG-OG1 3.48Å
71	T	96.9	Very high	97	Very high	51 Å²	51	43.1 Å²	43.1	31%	0.313	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	39	-174.9	58	0	0	0	0	113	A18 F23 D67 K68	A18-T71 PolarHBondContact N-O 2.95Å; A18-T71 PolarHBondContact O-OG1 3.21Å; F23-T71 HydrophobicContact CB-CG2 4.07Å; F23-T71 HydrophobicContact CD1-CG2 4.38Å; F23-T71 HydrophobicContact CG-CG2 4.5Å; D67-T71 PolarHBondContact O-N 3.08Å; D67-T71 VanDerWaalsContact O-N 3.12Å; K68-T71 PolarHBondContact O-N 3.39Å
72	T	98.1	Very high	96.9	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.2	-172.2	-56.4	0	0	0	0	110.8	C16 D67 S70 Y74	C16-T72 CarbonylContact O-C 3.44Å; C16-T72 WeakPolarHBondContact O-CA 3.12Å; D67-T72 PolarHBondContact N-O 2.83Å; D67-T72 PolarHBondContact O-N 3Å; S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact O-OG1 2.98Å; S70-T72 WeakPolarHBondContact OG-CB 3.39Å; S70-T72 PolarHBondContact OG-OG1 3.48Å; T72-Y74 HydrophobicContact CG2-CD1 4.24Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 3.66Å; T72-Y74 HydrophobicContact CG2-CE2 3.72Å
73	A	98.1	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148.1	167.1	0	0	0	0	0	109.9	C16 F23 M28 W30 V66	C16-A73 PolarHBondContact N-O 3.18Å; C16-A73 PolarHBondContact O-N 3.15Å; F23-A73 HydrophobicContact CE2-CB 4.34Å; F23-A73 HydrophobicContact CZ-CB 4.09Å; M28-A73 HydrophobicContact CB-CB 4.15Å; M28-A73 HydrophobicContact CG-CB 3.67Å; W30-A73 HydrophobicContact CZ2-CB 4.2Å; V66-A73 HydrophobicContact CG1-CB 4.22Å
74	Y	98.3	Very high	96.4	Very high	50 Å²	50	49.8 Å²	49.8	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.6	177.3	-54.5	-91.3	0	0	0	111.1	K13 V14 S15 L64 T65 D67 T72	K13-Y74 HydrophobicContact CD-CD1 4.34Å; K13-Y74 VanDerWaalsContact CE-CD1 3.44Å; K13-Y74 VanDerWaalsContact CE-CG 3.49Å; K13-Y74 HydrophobicContact CG-CD1 4.29Å; V14-Y74 CarbonylContact O-C 3.59Å; V14-Y74 WeakPolarHBondContact O-CA 3.39Å; S15-Y74 VanDerWaalsContact CB-CE1 3.45Å; L64-Y74 WeakPolarHBondContact CA-O 3.31Å; T65-Y74 PolarHBondContact N-O 3.25Å; T65-Y74 PolarHBondContact O-N 3.03Å; D67-Y74 HydrophobicContact CB-CE2 3.85Å; T72-Y74 HydrophobicContact CG2-CD1 4.24Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 3.66Å; T72-Y74 HydrophobicContact CG2-CE2 3.72Å
75	M	98.1	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.9	166.2	176	-178.6	68.3	0	0	108.2	V14 W30 I42 T63 L64 L77 Y88	V14-M75 HydrophobicContact CB-CE 4.47Å; V14-M75 HydrophobicContact CG2-CE 4.24Å; V14-M75 PolarHBondContact N-O 2.74Å; V14-M75 PolarHBondContact O-N 2.99Å; W30-M75 HydrophobicContact CB-SD 3.93Å; W30-M75 HydrophobicContact CD2-CB 3.62Å; W30-M75 HydrophobicContact CD2-CE 4.44Å; W30-M75 HydrophobicContact CD2-CG 4.41Å; W30-M75 HydrophobicContact CD2-SD 4.09Å; W30-M75 HydrophobicContact CE3-CB 3.78Å; W30-M75 HydrophobicContact CE3-CE 3.79Å; W30-M75 HydrophobicContact CE3-SD 4.03Å; W30-M75 HydrophobicContact CG-CB 4.18Å; W30-M75 HydrophobicContact CG-SD 4.07Å; W30-M75 HydrophobicContact CH2-CB 4.02Å; W30-M75 HydrophobicContact CZ2-CB 3.88Å; W30-M75 HydrophobicContact CZ3-CB 3.97Å; W30-M75 HydrophobicContact CZ3-CE 4.24Å; I42-M75 HydrophobicContact CD1-CE 4.05Å; I42-M75 HydrophobicContact CD1-SD 3.57Å; I42-M75 VanDerWaalsContact CD1-SD 3.57Å; I42-M75 HydrophobicContact CG2-SD 3.99Å; T63-M75 WeakPolarHBondContact O-CA 3.42Å; L64-M75 HydrophobicContact CD2-CB 3.75Å; L64-M75 HydrophobicContact CD2-CG 3.69Å; L64-M75 HydrophobicContact CD2-SD 4.36Å; M75-L77 HydrophobicContact CE-CD1 3.82Å; M75-L77 HydrophobicContact CE-CD2 4.44Å; M75-L77 HydrophobicContact CE-CG 4.02Å; M75-L77 HydrophobicContact CG-CD2 4.43Å; M75-L77 HydrophobicContact CG-CG 4.31Å; M75-L77 HydrophobicContact SD-CD2 4.15Å; M75-L77 HydrophobicContact SD-CG 4.28Å; M75-Y88 HydrophobicContact CE-CD1 3.6Å; M75-Y88 HydrophobicContact CE-CE1 4.19Å; M75-Y88 HydrophobicContact CE-CG 4.1Å
76	Q	98	Very high	96.1	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.1	168.9	-176.2	172.4	-1.6	0	0	108.8	V12 A62 T63	V12-Q76 CarbonylContact O-C 3.59Å; V12-Q76 VanDerWaalsContact O-CA 3.31Å; V12-Q76 WeakPolarHBondContact O-CA 3.34Å; A62-Q76 CarbonylContact C-O 3.59Å; A62-Q76 WeakPolarHBondContact CA-O 3.2Å; T63-Q76 PolarHBondContact N-O 2.81Å; T63-Q76 PolarHBondContact O-N 2.98Å
77	L	96.9	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.7	170.8	-65.6	167.4	0	0	0	108.4	S11 V12 K61 A62 M75 L80 Y88	S11-L77 CarbonylContact C-O 3.57Å; S11-L77 WeakPolarHBondContact CA-O 3.35Å; S11-L77 WeakPolarHBondContact CB-O 3.3Å; V12-L77 HydrophobicContact CG1-CB 4.11Å; V12-L77 HydrophobicContact CG1-CD1 4.42Å; V12-L77 PolarHBondContact N-O 2.85Å; V12-L77 PolarHBondContact O-N 2.9Å; K61-L77 WeakPolarHBondContact O-CA 3.36Å; A62-L77 HydrophobicContact CB-CD2 3.88Å; M75-L77 HydrophobicContact CE-CD1 3.82Å; M75-L77 HydrophobicContact CE-CD2 4.44Å; M75-L77 HydrophobicContact CE-CG 4.02Å; M75-L77 HydrophobicContact CG-CD2 4.43Å; M75-L77 HydrophobicContact CG-CG 4.31Å; M75-L77 HydrophobicContact SD-CD2 4.15Å; M75-L77 HydrophobicContact SD-CG 4.28Å; L77-L80 HydrophobicContact CB-CD2 3.72Å; L77-L80 HydrophobicContact CD1-CD2 4.34Å; L77-Y88 HydrophobicContact CD1-CD1 4.2Å; L77-Y88 HydrophobicContact CD1-CE1 3.54Å; L77-Y88 HydrophobicContact CD1-CE2 4.17Å
78	S	96.4	Very high	96	Very high	33 Å²	33	54 Å²	54	23%	0.231	32%	0.318	C	S	.	.			trans	-117.6	158.5	-178.5	-65.3	0	0	0	0	112.3	S11 K61 L80	S11-S78 WeakPolarHBondContact OG-CA 3.37Å; S11-S78 WeakPolarHBondContact OG-CB 3.47Å; S11-S78 PolarHBondContact OG-OG 2.75Å; S11-S78 VanDerWaalsContact OG-OG 3.08Å; K61-S78 WeakPolarHBondContact CE-O 3.16Å; K61-S78 WeakPolarHBondContact CG-O 3.34Å; K61-S78 PolarHBondContact O-N 3.22Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 2.99Å
79	S	95.4	Very high	96.1	Very high	83 Å²	83	53.7 Å²	53.7	58%	0.58	31%	0.314	S	S	*	.	S	Bend	trans	52.7	51.5	176.9	-54.5	0	0	0	0	112.1	A10 K61	A10-S79 PolarHBondContact O-N 2.82Å; K61-S79 WeakPolarHBondContact CE-O 3.39Å
80	L	95.4	Very high	96.1	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	29%	0.294	C	S	.	.			trans	-64.3	141	-172.9	-68.8	169.1	0	0	0	112.3	V6 P8 G9 A10 V12 L77 S78 D84	V6-L80 HydrophobicContact CG2-CD1 3.47Å; V6-L80 VanDerWaalsContact CG2-CD1 3.47Å; P8-L80 CarbonylContact C-O 3.56Å; P8-L80 WeakPolarHBondContact CA-O 3.29Å; G9-L80 PolarHBondContact N-O 3.31Å; A10-L80 WeakPolarHBondContact O-CB 3.33Å; A10-L80 VanDerWaalsContact O-CG 3.27Å; A10-L80 WeakPolarHBondContact O-CG 3.41Å; A10-L80 PolarHBondContact O-N 2.97Å; V12-L80 HydrophobicContact CB-CD1 4.02Å; V12-L80 HydrophobicContact CG1-CD1 3.79Å; L77-L80 HydrophobicContact CB-CD2 3.72Å; L77-L80 HydrophobicContact CD1-CD2 4.34Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 2.99Å; L80-D84 VanDerWaalsContact CA-OD2 3.31Å; L80-D84 WeakPolarHBondContact CA-OD2 3.26Å; L80-D84 HydrophobicContact CD2-CB 3.65Å
81	T	94.8	Very high	96.1	Very high	64 Å²	64	51.4 Å²	51.4	39%	0.393	30%	0.3	S	S	.	.			trans	-121.4	172	174.7	66.7	0	0	0	0	109.9	E83 D84	T81-E83 PolarHBondContact O-N 2.81Å; T81-D84 PolarHBondContact N-OD2 3.5Å; T81-D84 WeakPolarHBondContact O-CB 3.41Å; T81-D84 PolarHBondContact O-N 3.32Å; T81-D84 PolarHBondContact OG1-OD2 3.24Å
82	S	92.5	Very high	95.8	Very high	107 Å²	107	56.4 Å²	56.4	75%	0.748	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-56.4	-30.9	175.1	51	0	0	0	0	112.4	D84 S85	S82-D84 PolarHBondContact O-N 3.11Å; S82-S85 WeakPolarHBondContact O-CB 3.45Å; S82-S85 PolarHBondContact O-N 2.8Å; S82-S85 VanDerWaalsContact O-N 3.15Å
83	E	91.3	Very high	95.7	Very high	130 Å²	130	58.8 Å²	58.8	61%	0.607	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.6	176.5	-61.5	-175.7	176.6	0	0	113.5	K32 R34 T81	K32-E83 WeakPolarHBondContact CE-O 3.39Å; K32-E83 PolarHBondContact NZ-O 3.42Å; R34-E83 VanDerWaalsContact CZ-O 3.29Å; R34-E83 PolarHBondContact NE-O 2.97Å; R34-E83 PolarHBondContact NH2-O 2.8Å; T81-E83 PolarHBondContact O-N 2.81Å
84	D	94.1	Very high	95.6	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.07	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-89.2	-4.9	175.8	-54.5	-50.2	0	0	0	113.7	K32 K61 L80 T81 S82 A86 Y88	K32-D84 IonicContact NZ-OD1 3.64Å; K32-D84 PolarHBondContact NZ-OD1 3.46Å; K61-D84 WeakPolarHBondContact CE-OD2 3.5Å; K61-D84 IonicContact NZ-OD1 2.8Å; K61-D84 PolarHBondContact NZ-OD1 3.15Å; K61-D84 IonicContact NZ-OD2 2.91Å; K61-D84 PolarHBondContact NZ-OD2 2.9Å; L80-D84 VanDerWaalsContact CA-OD2 3.31Å; L80-D84 WeakPolarHBondContact CA-OD2 3.26Å; L80-D84 HydrophobicContact CD2-CB 3.65Å; T81-D84 PolarHBondContact N-OD2 3.5Å; T81-D84 WeakPolarHBondContact O-CB 3.41Å; T81-D84 PolarHBondContact O-N 3.32Å; T81-D84 PolarHBondContact OG1-OD2 3.24Å; S82-D84 PolarHBondContact O-N 3.11Å; D84-A86 PolarHBondContact O-N 3.33Å; D84-Y88 WeakPolarHBondContact O-CE2 3.33Å; D84-Y88 PolarHBondContact O-OH 3.4Å
85	S	94.8	Very high	95.4	Very high	95 Å²	95	62.6 Å²	62.6	66%	0.664	35%	0.352	S	S	*	.			trans	-65.9	109.7	172.2	-166.7	0	0	0	0	109.6	S82	S82-S85 WeakPolarHBondContact O-CB 3.45Å; S82-S85 PolarHBondContact O-N 2.8Å; S82-S85 VanDerWaalsContact O-N 3.15Å
86	A	95.9	Very high	95.2	Very high	28 Å²	28	66.2 Å²	66.2	23%	0.231	37%	0.373	C	S	.	.	S	Bend	trans	-165.4	167.1	-171.5	0	0	0	0	0	110.5	K32 Q33 R34 D84 Y88	K32-A86 HydrophobicContact CD-CB 4.21Å; K32-A86 HydrophobicContact CG-CB 3.52Å; Q33-A86 WeakPolarHBondContact O-CB 3.43Å; R34-A86 HydrophobicContact CG-CB 4.14Å; D84-A86 PolarHBondContact O-N 3.33Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.91Å; A86-Y88 WeakPolarHBondContact O-CD2 3.44Å
87	V	96.6	Very high	95.1	Very high	76 Å²	76	65.4 Å²	65.4	46%	0.461	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.9	161.9	-172.8	0	0	0	0	108.4	Q33 Y89	Q33-V87 PolarHBondContact N-O 3.12Å; Q33-V87 PolarHBondContact O-N 2.76Å; V87-Y89 HydrophobicContact CB-CE2 4Å; V87-Y89 HydrophobicContact CG1-CD1 4.35Å; V87-Y89 HydrophobicContact CG1-CD2 4.34Å; V87-Y89 HydrophobicContact CG1-CE1 3.7Å; V87-Y89 HydrophobicContact CG1-CE2 3.7Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.46Å
88	Y	96.9	Very high	94.9	Very high	48 Å²	48	69.7 Å²	69.7	19%	0.188	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.2	178	-67.8	-87.5	0	0	0	109.6	V31 K32 I42 M75 L77 D84 A86	V31-Y88 CarbonylContact O-C 3.49Å; V31-Y88 WeakPolarHBondContact O-CA 3.43Å; K32-Y88 HydrophobicContact CB-CD1 4.12Å; K32-Y88 HydrophobicContact CB-CE1 3.86Å; K32-Y88 HydrophobicContact CD-CE1 4.01Å; K32-Y88 HydrophobicContact CG-CD1 4.33Å; K32-Y88 HydrophobicContact CG-CE1 3.75Å; I42-Y88 HydrophobicContact CD1-CD1 3.74Å; I42-Y88 HydrophobicContact CD1-CE1 3.84Å; M75-Y88 HydrophobicContact CE-CD1 3.6Å; M75-Y88 HydrophobicContact CE-CE1 4.19Å; M75-Y88 HydrophobicContact CE-CG 4.1Å; L77-Y88 HydrophobicContact CD1-CD1 4.2Å; L77-Y88 HydrophobicContact CD1-CE1 3.54Å; L77-Y88 HydrophobicContact CD1-CE2 4.17Å; D84-Y88 WeakPolarHBondContact O-CE2 3.33Å; D84-Y88 PolarHBondContact O-OH 3.4Å; A86-Y88 HydrophobicContact CB-CD2 4.49Å; A86-Y88 HydrophobicContact CB-CE2 3.91Å; A86-Y88 WeakPolarHBondContact O-CD2 3.44Å
89	Y	96.8	Very high	94.8	Very high	101 Å²	101	72.4 Å²	72.4	40%	0.396	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.7	179.3	-56.5	-81.5	0	0	0	110.3	W30 V31 Q33 V87	W30-Y89 WeakPolarHBondContact CA-O 3.38Å; V31-Y89 PolarHBondContact N-O 2.59Å; V31-Y89 PolarHBondContact O-N 3.48Å; Q33-Y89 HydrophobicContact CB-CD2 4.37Å; Q33-Y89 HydrophobicContact CB-CE2 3.71Å; Q33-Y89 VanDerWaalsContact OE1-CE2 3.24Å; Q33-Y89 PolarHBondContact OE1-OH 3.43Å; V87-Y89 HydrophobicContact CB-CE2 4Å; V87-Y89 HydrophobicContact CG1-CD1 4.35Å; V87-Y89 HydrophobicContact CG1-CD2 4.34Å; V87-Y89 HydrophobicContact CG1-CE1 3.7Å; V87-Y89 HydrophobicContact CG1-CE2 3.7Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.46Å
90	C	96.5	Very high	94.8	Very high	50 Å²	50	71.5 Å²	71.5	34%	0.338	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.7	160.8	62	0	0	0	0	109.2	C16 M28 H29 W30	C16-C90 HydrophobicContact CB-CB 3.45Å; C16-C90 VanDerWaalsContact CB-CB 3.45Å; C16-C90 WeakPolarHBondContact CB-SG 3.1Å; C16-C90 WeakPolarHBondContact SG-CB 3.41Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 2.62Å; M28-C90 HydrophobicContact SD-CB 3.78Å; H29-C90 CarbonylContact O-C 3.57Å; H29-C90 VanDerWaalsContact O-CA 3.24Å; H29-C90 WeakPolarHBondContact O-CA 3.3Å; W30-C90 HydrophobicContact CD2-CB 4.43Å; W30-C90 HydrophobicContact CE3-CB 4.19Å; W30-C90 HydrophobicContact CH2-CB 4.28Å; W30-C90 HydrophobicContact CZ2-CB 4.48Å; W30-C90 HydrophobicContact CZ3-CB 4.12Å
91	A	95.6	Very high	94.7	Very high	46 Å²	46	76.3 Å²	76.3	38%	0.38	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.8	178.2	0	0	0	0	0	110.5	M28 H29	M28-A91 VanDerWaalsContact SD-O 3.34Å; H29-A91 PolarHBondContact N-O 2.74Å; H29-A91 PolarHBondContact O-N 2.93Å
92	R	91.1	Very high	94.7	Very high	157 Å²	157	77.4 Å²	77.4	59%	0.592	43%	0.425	S	S	*	.			trans	-97	0	163.2	140.3	-179.1	70.7	162.2	-1	107.8	Y21 Y26	Y21-R92 VanDerWaalsContact CE1-CZ 3.42Å; Y26-R92 HydrophobicContact CD1-CG 4.16Å; Y26-R92 HydrophobicContact CG-CG 4.13Å

Retrieved 92 of 92 residues in 34.7 ms (Link to these results)

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