X5J4C4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4C4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 aa.

						>X5J4C4_MOUSE|X5J4C4
TELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARWDYWGQGTTLTVSS
					

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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	T	74.1	Confident	92.1	Very high	139 Å²	139	78.7 Å²	78.7	85%	0.853	45%	0.452	S	S	*	.				0	132.9	0	-52.3	0	0	0	0	108.9	T99	T1-T99 CarbonylContact C-O 3.44Å; T1-T99 WeakPolarHBondContact CA-O 3.31Å; T1-T99 HydrophobicContact CG2-CG2 4.02Å
2	E	84.1	Confident	92.5	Very high	72 Å²	72	72.6 Å²	72.6	34%	0.336	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	179.1	-167.1	167.5	-170.8	0	0	108.9	V4 V10 L12 T99 L100 T101	E2-V4 HydrophobicContact CG-CG1 4.02Å; E2-V10 HydrophobicContact CG-CG2 4.26Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.48Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; E2-L12 WeakPolarHBondContact OE2-CD2 3.45Å; E2-T99 PolarHBondContact N-O 3.32Å; E2-L100 HydrophobicContact CB-CD1 4Å; E2-L100 HydrophobicContact CG-CD1 4.24Å; E2-T101 PolarHBondContact O-N 2.69Å
3	L	91.6	Very high	92.9	Very high	129 Å²	129	72.5 Å²	72.5	68%	0.675	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.6	179.6	-178.1	66.9	0	0	0	108.8	T101	L3-T101 WeakPolarHBondContact CA-O 3.46Å; L3-T101 HydrophobicContact CD1-CG2 3.92Å
4	V	94.1	Very high	93.2	Very high	19 Å²	19	68.4 Å²	68.4	12%	0.115	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.5	-174.8	-60	0	0	0	0	111.2	E2 A8 L78 L100 T101 V102 S103	E2-V4 HydrophobicContact CG-CG1 4.02Å; V4-A8 HydrophobicContact CB-CB 4.48Å; V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-L100 HydrophobicContact CG1-CD1 4.06Å; V4-L100 HydrophobicContact CG2-CD1 3.86Å; V4-L100 HydrophobicContact CG2-CG 4.47Å; V4-T101 PolarHBondContact N-O 2.93Å; V4-V102 HydrophobicContact CG2-CB 4.27Å; V4-V102 HydrophobicContact CG2-CG1 4.38Å; V4-V102 HydrophobicContact CG2-CG2 3.77Å; V4-V102 CarbonylContact O-C 3.49Å; V4-V102 WeakPolarHBondContact O-CA 3.41Å; V4-S103 PolarHBondContact O-N 3.5Å; V4-S103 PolarHBondContact O-OG 3.27Å
5	K	93.8	Very high	93.4	Very high	160 Å²	160	74.3 Å²	74.3	70%	0.696	42%	0.419	S	S	*	.			trans	-83.1	155.7	176	-64.4	-178.2	179.7	-179.5	0	110.9	A8	K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.27Å
6	P	95.4	Very high	93.4	Very high	69 Å²	69	70.4 Å²	70.4	45%	0.448	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	145.6	171.1	-22.6	35.8	0	0	0	111.2	A8 L78 V102 S103	P6-A8 PolarHBondContact O-N 3.04Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.12Å; P6-V102 HydrophobicContact CB-CG1 4.46Å; P6-V102 HydrophobicContact CG-CG1 4.23Å; P6-S103 WeakPolarHBondContact CD-O 3.4Å; P6-S103 WeakPolarHBondContact CG-O 3.48Å
7	G	94.5	Very high	93.4	Very high	54 Å²	54	72.2 Å²	72.2	56%	0.557	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-11.1	-176.9	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 2.99Å
8	A	95.6	Very high	93.3	Very high	34 Å²	34	73.1 Å²	73.1	28%	0.281	44%	0.444	S	S	.	.			trans	-66.8	164.3	176	0	0	0	0	0	111.7	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.27Å; P6-A8 PolarHBondContact O-N 3.04Å; A8-S77 PolarHBondContact O-N 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 2.85Å
9	S	96.4	Very high	93.2	Very high	68 Å²	68	72.1 Å²	72.1	48%	0.476	43%	0.432	S	S	.	.			trans	-113.6	146.7	167.8	-59.4	0	0	0	0	109.8	L75 S76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; S9-S76 WeakPolarHBondContact OG-CA 3.4Å
10	V	96.4	Very high	93.3	Very high	6 Å²	6	73.1 Å²	73.1	4%	0.036	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.4	178.9	72.1	0	0	0	0	110.6	E2 L12 Q74 L75 L78 L100	E2-V10 HydrophobicContact CG-CG2 4.26Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.48Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.23Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L100 HydrophobicContact CB-CD1 4.42Å; V10-L100 HydrophobicContact CG1-CD1 4.12Å; V10-L100 HydrophobicContact CG1-CD2 3.89Å; V10-L100 HydrophobicContact CG2-CD1 4.19Å
11	K	97.2	Very high	93.4	Very high	116 Å²	116	69.9 Å²	69.9	50%	0.504	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104.9	176.5	-173.2	177.2	-179.2	179.5	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å
12	L	97.4	Very high	94.4	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	144.8	174.7	-54.7	-175.6	0	0	0	109.8	E2 V10 W28 Y72 M73 Y86 T98	E2-L12 WeakPolarHBondContact OE2-CD2 3.45Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; L12-Y72 WeakPolarHBondContact O-CB 3.42Å; L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.05Å; L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; L12-T98 HydrophobicContact CD2-CG2 3.98Å
13	S	97.2	Very high	94.9	Very high	72 Å²	72	65.9 Å²	65.9	50%	0.503	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.7	179.3	67.1	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	97	Very high	95	Very high	15 Å²	15	63.1 Å²	63.1	10%	0.101	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	105.2	174.8	179.2	0	0	0	0	109	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.1Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 2.89Å; C14-C88 WeakPolarHBondContact SG-CB 3.28Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.42Å
15	K	96.4	Very high	95.1	Very high	156 Å²	156	66.9 Å²	66.9	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	123	179.2	-172.5	174.2	-176.6	178.2	0	109.9
16	A	94	Very high	95.3	Very high	12 Å²	12	59.5 Å²	59.5	10%	0.099	36%	0.364	C	S	.	.			trans	-74.6	146.6	175.3	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 4.28Å; A16-Y19 VanDerWaalsContact CB-CZ 3.49Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; A16-F21 HydrophobicContact CB-CB 4.1Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.03Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 WeakPolarHBondContact CB-O 3.2Å; A16-S69 PolarHBondContact N-O 3.21Å
17	S	92.4	Very high	95.5	Very high	101 Å²	101	59 Å²	59	71%	0.706	36%	0.356	S	S	*	.			trans	-148.7	148.7	173.6	59.5	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.33Å; S17-Y19 PolarHBondContact O-N 3.21Å
18	G	91.9	Very high	95.7	Very high	88 Å²	88	56.7 Å²	56.7	91%	0.907	33%	0.33	S	S	*	.	S	Bend	trans	77	12.9	176.4	0	0	0	0	0	115.9
19	Y	91.5	Very high	95.8	Very high	54 Å²	54	55.5 Å²	55.5	21%	0.212	32%	0.319	C	S	.	.	S	Bend	trans	-159.5	166.4	174.5	68.5	-84.7	0	0	0	112.2	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 4.28Å; A16-Y19 VanDerWaalsContact CB-CZ 3.49Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; S17-Y19 WeakPolarHBondContact O-CD1 3.33Å; S17-Y19 PolarHBondContact O-N 3.21Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.49Å; Y19-F21 VanDerWaalsContact O-N 3.14Å; Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.01Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CG-CD2 4.47Å; Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; Y19-R90 VanDerWaalsContact CB-NH1 3.29Å; Y19-R90 VanDerWaalsContact CD2-NH1 3.29Å
20	T	95	Very high	95.9	Very high	92 Å²	92	52.4 Å²	52.4	56%	0.564	30%	0.297	S	S	*	.			trans	-69.9	104	171.1	-56.5	0	0	0	0	110.2	T22 S23	T20-T22 PolarHBondContact O-N 3.45Å; T20-S23 WeakPolarHBondContact CB-OG 2.98Å; T20-S23 WeakPolarHBondContact CG2-OG 3.01Å; T20-S23 WeakPolarHBondContact O-CB 3.05Å; T20-S23 PolarHBondContact O-N 2.87Å; T20-S23 PolarHBondContact O-OG 2.9Å
21	F	94.6	Very high	95.9	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.026	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36.1	-172.7	177.6	-128.4	0	0	0	114.3	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.1Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.03Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.49Å; Y19-F21 VanDerWaalsContact O-N 3.14Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.58Å; F21-P45 HydrophobicContact CE1-CG 4.22Å; F21-P45 HydrophobicContact CE2-CB 4.1Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; F21-V64 HydrophobicContact CE1-CB 4.36Å; F21-V64 HydrophobicContact CE1-CG1 4.41Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 3.99Å
22	T	95.9	Very high	95.8	Very high	56 Å²	56	52.2 Å²	52.2	34%	0.344	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-76.3	-9.3	-178.3	53.6	0	0	0	0	114.8	T20 Y24 K66	T20-T22 PolarHBondContact O-N 3.45Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; T22-K66 HydrophobicContact CG2-CD 4.46Å
23	S	94.8	Very high	95.5	Very high	71 Å²	71	57.6 Å²	57.6	50%	0.497	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-80.6	-12.6	-177.3	-60.8	0	0	0	0	114	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 2.98Å; T20-S23 WeakPolarHBondContact CG2-OG 3.01Å; T20-S23 WeakPolarHBondContact O-CB 3.05Å; T20-S23 PolarHBondContact O-N 2.87Å; T20-S23 PolarHBondContact O-OG 2.9Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 2.83Å
24	Y	93.6	Very high	95.2	Very high	71 Å²	71	58.6 Å²	58.6	28%	0.278	35%	0.353	S	S	.	.	S	Bend	trans	-139	146.7	-173.1	-57.2	-67.1	0	0	0	112.8	Y19 T22 P45 R90 W91	Y19-Y24 AromaticContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CD2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 4.01Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CG-CD2 4.47Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.17Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.29Å; Y24-R90 HydrophobicContact CD2-CG 4.47Å; Y24-R90 HydrophobicContact CG-CG 4.06Å; Y24-W91 HydrophobicContact CD1-CD2 4.41Å; Y24-W91 HydrophobicContact CD1-CE3 4.05Å; Y24-W91 AromaticContact CD1-CH2 3.56Å; Y24-W91 HydrophobicContact CD1-CH2 3.56Å; Y24-W91 AromaticContact CD1-CZ2 3.83Å; Y24-W91 HydrophobicContact CD1-CZ2 3.83Å; Y24-W91 AromaticContact CD1-CZ3 3.62Å; Y24-W91 HydrophobicContact CD1-CZ3 3.62Å; Y24-W91 AromaticContact CE1-CE3 3.94Å; Y24-W91 HydrophobicContact CE1-CE3 3.94Å; Y24-W91 AromaticContact CE1-CH2 2.94Å; Y24-W91 HydrophobicContact CE1-CH2 2.94Å; Y24-W91 AromaticContact CE1-CZ2 3.65Å; Y24-W91 HydrophobicContact CE1-CZ2 3.65Å; Y24-W91 AromaticContact CE1-CZ3 3.06Å; Y24-W91 HydrophobicContact CE1-CZ3 3.06Å; Y24-W91 HydrophobicContact CE2-CZ3 4.4Å; Y24-W91 AromaticContact CZ-CH2 3.73Å; Y24-W91 AromaticContact CZ-CZ3 3.45Å; Y24-W91 VanDerWaalsContact CZ-CZ3 3.45Å
25	W	97.1	Very high	95.1	Very high	98 Å²	98	62.7 Å²	62.7	37%	0.371	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-68.8	138.5	170.7	-68.4	66	0	0	0	110.1	N42 I43 N44 N51	W25-N42 HydrophobicContact CE3-CB 4.08Å; W25-N42 VanDerWaalsContact CE3-CG 3.41Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.4Å; W25-I43 WeakPolarHBondContact CA-O 3.32Å; W25-N44 HydrophobicContact CD2-CB 3.74Å; W25-N44 HydrophobicContact CE3-CB 3.89Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.98Å; W25-N44 HydrophobicContact CZ2-CB 3.81Å; W25-N44 HydrophobicContact CZ3-CB 4Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.36Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.46Å
26	M	97.8	Very high	94.9	Very high	6 Å²	6	58 Å²	58	3%	0.03	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.9	171.8	-173.9	63.9	70.8	0	0	109	Y19 F21 N42 I43 A71 C88	Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; F21-M26 HydrophobicContact CE2-CE 4Å; M26-N42 CarbonylContact O-C 3.44Å; M26-N42 WeakPolarHBondContact O-CA 3.42Å; M26-N42 WeakPolarHBondContact O-CB 3.25Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.9Å; M26-I43 PolarHBondContact O-N 2.92Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.7Å; M26-C88 HydrophobicContact CG-CB 4.35Å; M26-C88 HydrophobicContact SD-CB 3.76Å
27	H	98.3	Very high	95.1	Very high	59 Å²	59	61.9 Å²	61.9	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.2	177.8	-66.2	-112.4	0	0	0	110.4	W39 N42 C88 A89	H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.08Å; H27-N42 HydrophobicContact CB-CB 4.48Å; H27-N42 PolarHBondContact CE1-ND2 3.49Å; H27-N42 VanDerWaalsContact CE1-ND2 3.35Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.36Å; H27-A89 HydrophobicContact CB-CB 4.44Å; H27-A89 PolarHBondContact N-O 3.43Å; H27-A89 PolarHBondContact O-N 3.14Å
28	W	98.5	Very high	95.3	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.019	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.1	172.3	-69.9	92.2	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 3.97Å; C14-W28 HydrophobicContact CB-CH2 3.81Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.29Å; W28-I40 PolarHBondContact O-N 3.1Å; W28-G41 PolarHBondContact N-O 3.29Å; W28-L62 HydrophobicContact CG-CD2 4.07Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.31Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 4.1Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	98.3	Very high	95.6	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.5	-172.8	-174.8	0	0	0	0	109.5	L37 E38 Y86 Y87 W94	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.91Å; V29-W94 HydrophobicContact CB-CH2 4.22Å; V29-W94 HydrophobicContact CB-CZ3 3.89Å; V29-W94 HydrophobicContact CG1-CH2 4.12Å; V29-W94 HydrophobicContact CG1-CZ3 4.04Å; V29-W94 HydrophobicContact CG2-CH2 3.86Å; V29-W94 HydrophobicContact CG2-CZ3 3.9Å
30	K	97.8	Very high	95.9	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.1	174	-179	178.6	-178.4	176.2	0	109.7	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.91Å; K30-E38 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; K30-E81 PolarHBondContact NZ-O 2.83Å; K30-D82 IonicContact NZ-OD1 3.76Å; K30-A84 HydrophobicContact CD-CB 4.28Å; K30-A84 HydrophobicContact CG-CB 3.63Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.44Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å
31	Q	97.6	Very high	96.1	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.8	171	-169.4	-177.5	34.2	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.15Å; Q31-V85 PolarHBondContact N-O 2.61Å; Q31-V85 PolarHBondContact O-N 2.96Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å
32	R	94.9	Very high	96.2	Very high	53 Å²	53	52.3 Å²	52.3	20%	0.2	30%	0.297	C	S	.	.			trans	-87.1	148.6	170	-67.1	-174	-176.5	128.6	-10.7	110.3	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE2 3.45Å; R32-E38 IonicContact NH1-OE2 3.56Å; R32-E38 PolarHBondContact NH1-OE2 2.69Å; R32-E81 VanDerWaalsContact CZ-O 3.32Å; R32-E81 PolarHBondContact NE-O 3.39Å; R32-E81 PolarHBondContact NH2-O 2.92Å; R32-A84 HydrophobicContact CG-CB 4.15Å
33	P	90.6	Very high	96.4	Very high	118 Å²	118	49.8 Å²	49.8	77%	0.766	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128	172.9	-25	34.4	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.82Å
34	G	92.1	Very high	96.5	Very high	93 Å²	93	47.4 Å²	47.4	96%	0.959	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.5	-179.8	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.82Å
35	Q	93.3	Very high	96.7	Very high	101 Å²	101	44 Å²	44	47%	0.472	25%	0.25	S	C	.	.	S	Bend	trans	-115.5	162.9	175.9	-57.5	-171.2	2.7	0	0	111.5	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 2.81Å; P33-Q35 PolarHBondContact O-N 2.82Å
36	G	94.1	Very high	96.7	Very high	56 Å²	56	41.8 Å²	41.8	58%	0.577	25%	0.249	S	C	*	.			trans	-68.2	173.9	173.6	0	0	0	0	0	113.2
37	L	96.4	Very high	96.6	Very high	95 Å²	95	46.9 Å²	46.9	50%	0.497	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.5	173.3	-65.1	172.5	0	0	0	110.4	V29 Q31 W94	V29-L37 HydrophobicContact CG1-CB 3.85Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W94 HydrophobicContact CD1-CH2 3.83Å; L37-W94 HydrophobicContact CD1-CZ2 4.39Å; L37-W94 HydrophobicContact CD1-CZ3 4.43Å
38	E	97.4	Very high	96.5	Very high	35 Å²	35	45.7 Å²	45.7	16%	0.164	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.7	174.9	-64.3	-171.1	91.7	0	0	109.7	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.2Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.91Å; K30-E38 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE2 3.45Å; R32-E38 IonicContact NH1-OE2 3.56Å; R32-E38 PolarHBondContact NH1-OE2 2.69Å; E38-I40 PolarHBondContact O-N 2.89Å; E38-K55 IonicContact OE1-NZ 3.99Å; E38-F56 HydrophobicContact CB-CE2 4.31Å; E38-F56 HydrophobicContact CB-CZ 4.19Å
39	W	97.9	Very high	96.5	Very high	88 Å²	88	46.8 Å²	46.8	33%	0.333	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.6	174.7	-179	71.9	0	0	0	110.6	H27 G41 N42 N51 N53	H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.08Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 3.43Å; W39-N42 HydrophobicContact CZ2-CB 4.06Å; W39-N51 HydrophobicContact CH2-CB 4.1Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.97Å; W39-N53 PolarHBondContact O-ND2 3.05Å
40	I	98.3	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-47.8	-178.3	-63.2	173.5	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.37Å; W28-I40 WeakPolarHBondContact O-CB 3.29Å; W28-I40 PolarHBondContact O-N 3.1Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; E38-I40 PolarHBondContact O-N 2.89Å; I40-N53 PolarHBondContact O-N 3.23Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.26Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.42Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; I40-A60 HydrophobicContact CG2-CB 3.72Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å
41	G	98.3	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	177.7	-170.5	0	0	0	0	0	112.2	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.29Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 3.43Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.03Å
42	N	98.3	Very high	96.6	Very high	17 Å²	17	52 Å²	52	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.2	170.6	62.7	27.6	0	0	0	111.5	W25 M26 H27 W39 T50 N51	W25-N42 HydrophobicContact CE3-CB 4.08Å; W25-N42 VanDerWaalsContact CE3-CG 3.41Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.4Å; M26-N42 CarbonylContact O-C 3.44Å; M26-N42 WeakPolarHBondContact O-CA 3.42Å; M26-N42 WeakPolarHBondContact O-CB 3.25Å; H27-N42 HydrophobicContact CB-CB 4.48Å; H27-N42 PolarHBondContact CE1-ND2 3.49Å; H27-N42 VanDerWaalsContact CE1-ND2 3.35Å; W39-N42 HydrophobicContact CZ2-CB 4.06Å; N42-T50 VanDerWaalsContact O-CA 3.29Å; N42-T50 WeakPolarHBondContact O-CA 3.29Å; N42-N51 PolarHBondContact N-O 3.35Å; N42-N51 PolarHBondContact O-N 3.48Å; N42-N51 WeakPolarHBondContact OD1-CB 3.44Å; N42-N51 PolarHBondContact OD1-ND2 2.84Å
43	I	98.5	Very high	96.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.1	175.1	-174.7	157.4	0	0	0	109.5	W25 M26 P45 G49 T50 L62 V64 A71	W25-I43 WeakPolarHBondContact CA-O 3.32Å; M26-I43 HydrophobicContact CB-CG2 4.07Å; M26-I43 PolarHBondContact N-O 2.9Å; M26-I43 PolarHBondContact O-N 2.92Å; I43-P45 VanDerWaalsContact O-CD 3.27Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; I43-G49 CarbonylContact C-O 3.5Å; I43-G49 WeakPolarHBondContact CA-O 3.19Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.69Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.32Å; I43-L62 HydrophobicContact CD1-CB 4.06Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.27Å; I43-V64 HydrophobicContact CG1-CG1 3.87Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
44	N	97.9	Very high	97	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.107	32%	0.317	C	S	.	.			trans	-84.1	110.8	170.8	-175.6	-18	0	0	0	109.2	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.74Å; W25-N44 HydrophobicContact CE3-CB 3.89Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.98Å; W25-N44 HydrophobicContact CZ2-CB 3.81Å; W25-N44 HydrophobicContact CZ3-CB 4Å; N44-S46 VanDerWaalsContact CG-OG 3.23Å; N44-S46 PolarHBondContact ND2-OG 2.8Å; N44-S46 PolarHBondContact O-N 3.15Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 2.95Å; N44-S46 PolarHBondContact OD1-OG 2.78Å; N44-N47 WeakPolarHBondContact CB-OD1 3.44Å; N44-N47 PolarHBondContact ND2-OD1 3.06Å; N44-N47 PolarHBondContact O-N 2.56Å; N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.35Å; N44-G48 PolarHBondContact O-N 2.77Å; N44-G49 PolarHBondContact N-O 2.88Å
45	P	97.3	Very high	97.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.1	-177.5	-16.2	32	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.23Å; F21-P45 HydrophobicContact CE1-CB 3.58Å; F21-P45 HydrophobicContact CE1-CG 4.22Å; F21-P45 HydrophobicContact CE2-CB 4.1Å; F21-P45 HydrophobicContact CE2-CG 3.83Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.7Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; Y24-P45 WeakPolarHBondContact O-CD 3.17Å; Y24-P45 VanDerWaalsContact O-CG 3.29Å; Y24-P45 WeakPolarHBondContact O-CG 3.29Å; I43-P45 VanDerWaalsContact O-CD 3.27Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.34Å; P45-K66 WeakPolarHBondContact O-CE 3.06Å
46	S	97	Very high	97.3	Very high	51 Å²	51	51 Å²	51	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-41.8	176.5	69	0	0	0	0	112.8	N44 K66	N44-S46 VanDerWaalsContact CG-OG 3.23Å; N44-S46 PolarHBondContact ND2-OG 2.8Å; N44-S46 PolarHBondContact O-N 3.15Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 2.95Å; N44-S46 PolarHBondContact OD1-OG 2.78Å; S46-K66 WeakPolarHBondContact O-CE 3.39Å; S46-K66 PolarHBondContact O-NZ 2.89Å
47	N	96.6	Very high	97.3	Very high	113 Å²	113	53.6 Å²	53.6	60%	0.604	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-2.6	-171.2	66.2	11.4	0	0	0	114.3	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.44Å; N44-N47 PolarHBondContact ND2-OD1 3.06Å; N44-N47 PolarHBondContact O-N 2.56Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 2.91Å; N47-G49 PolarHBondContact OD1-N 3.23Å
48	G	96.7	Very high	97.3	Very high	34 Å²	34	54.6 Å²	54.6	35%	0.351	29%	0.293	S	S	.	.			trans	77.4	6	179.6	0	0	0	0	0	114.7	N44 T50	N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.35Å; N44-G48 PolarHBondContact O-N 2.77Å; G48-T50 PolarHBondContact O-N 3.2Å
49	G	98.1	Very high	97.2	Very high	29 Å²	29	54.9 Å²	54.9	30%	0.299	29%	0.294	S	S	.	.			trans	-60	135.9	175.9	0	0	0	0	0	111.2	I43 N44 N47	I43-G49 CarbonylContact C-O 3.5Å; I43-G49 WeakPolarHBondContact CA-O 3.19Å; N44-G49 PolarHBondContact N-O 2.88Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 2.91Å; N47-G49 PolarHBondContact OD1-N 3.23Å
50	T	98.4	Very high	97.2	Very high	54 Å²	54	50.8 Å²	50.8	33%	0.331	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144	-176.5	50.3	0	0	0	0	111.4	N42 I43 G48 Y52 L62	N42-T50 VanDerWaalsContact O-CA 3.29Å; N42-T50 WeakPolarHBondContact O-CA 3.29Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 3.69Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; G48-T50 PolarHBondContact O-N 3.2Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3Å; T50-L62 HydrophobicContact CG2-CB 3.96Å
51	N	98.2	Very high	97.2	Very high	78 Å²	78	54.2 Å²	54.2	42%	0.417	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.9	164.4	-56.7	-67.4	0	0	0	108.9	W25 W39 G41 N42	W25-N51 WeakPolarHBondContact CH2-ND2 3.36Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.46Å; W39-N51 HydrophobicContact CH2-CB 4.1Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.03Å; N42-N51 PolarHBondContact N-O 3.35Å; N42-N51 PolarHBondContact O-N 3.48Å; N42-N51 WeakPolarHBondContact OD1-CB 3.44Å; N42-N51 PolarHBondContact OD1-ND2 2.84Å
52	Y	98.4	Very high	97.2	Very high	55 Å²	55	54.6 Å²	54.6	22%	0.216	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.2	-179.2	-66.7	-87.2	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3Å; Y52-K57 HydrophobicContact CG-CG 4.37Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.27Å
53	N	97.7	Very high	97.2	Very high	47 Å²	47	56.5 Å²	56.5	25%	0.251	31%	0.314	S	S	.	.			trans	-74	132.4	154.9	-179	-24.4	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.97Å; W39-N53 PolarHBondContact O-ND2 3.05Å; I40-N53 PolarHBondContact O-N 3.23Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.44Å; N53-K57 PolarHBondContact O-N 2.96Å
54	E	96.6	Very high	97.2	Very high	133 Å²	133	58.1 Å²	58.1	62%	0.621	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.1	-176.6	-69.5	-61.2	148.4	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 IonicContact OE1-NZ 2.84Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.22Å; E54-K57 WeakPolarHBondContact OE2-CD 3.07Å; E54-K57 IonicContact OE2-NZ 3.35Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å
55	K	94.5	Very high	97.1	Very high	149 Å²	149	59.8 Å²	59.8	65%	0.648	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.2	175.3	-69.4	-175.3	179.3	-178.4	0	114.3	E38 N53	E38-K55 IonicContact OE1-NZ 3.99Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact OD1-N 2.83Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	96.3	Very high	97.1	Very high	13 Å²	13	65.1 Å²	65.1	6%	0.057	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-5.8	-172.7	-61.2	-83.1	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; E38-F56 HydrophobicContact CB-CE2 4.31Å; E38-F56 HydrophobicContact CB-CZ 4.19Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.23Å; I40-F56 HydrophobicContact CG1-CE2 4.26Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.42Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.44Å; E54-F56 PolarHBondContact O-N 2.88Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.88Å; F56-K59 PolarHBondContact O-N 3.23Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.35Å
57	K	94.9	Very high	97	Very high	112 Å²	112	67.9 Å²	67.9	49%	0.487	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.2	-172.7	-168.2	177.4	-171.6	174.2	0	114.1	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.37Å; N53-K57 PolarHBondContact O-N 2.96Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-K57 IonicContact OE1-NZ 2.84Å; E54-K57 PolarHBondContact OE1-NZ 2.82Å; E54-K57 VanDerWaalsContact OE2-CD 3.22Å; E54-K57 WeakPolarHBondContact OE2-CD 3.07Å; E54-K57 IonicContact OE2-NZ 3.35Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å
58	S	95.3	Very high	97	Very high	115 Å²	115	64.3 Å²	64.3	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.2	175.5	58.1	0	0	0	0	113.8	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.88Å
59	K	96	Very high	97	Very high	41 Å²	41	64.7 Å²	64.7	18%	0.178	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-32.6	-168	-162.5	164.3	-164.4	170.8	0	113.7	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.23Å; K59-L75 WeakPolarHBondContact O-CA 3.23Å; K59-S76 WeakPolarHBondContact CE-O 3.5Å; K59-S76 WeakPolarHBondContact CG-O 3.15Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.9Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.42Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 3.38Å; K59-D82 IonicContact NZ-OD2 2.56Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å
60	A	97.9	Very high	97	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.9	-177	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.72Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.22Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.35Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.34Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61	T	98.4	Very high	96.9	Very high	72 Å²	72	61.1 Å²	61.1	44%	0.442	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.1	169.5	-59.3	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.14Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.88Å
62	L	98.6	Very high	96.9	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.1	178.6	-52.4	-176.3	0	0	0	110.8	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.07Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.32Å; I43-L62 HydrophobicContact CD1-CB 4.06Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 3.96Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.27Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.18Å
63	T	98.3	Very high	96.9	Very high	57 Å²	57	57.1 Å²	57.1	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.9	176.3	57	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.97Å
64	V	97.9	Very high	97	Very high	37 Å²	37	58.9 Å²	58.9	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.7	176.6	-70.8	0	0	0	0	110.8	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.36Å; F21-V64 HydrophobicContact CE1-CG1 4.41Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; I43-V64 HydrophobicContact CD1-CB 4.47Å; I43-V64 HydrophobicContact CD1-CG1 3.75Å; I43-V64 HydrophobicContact CD1-CG2 4.27Å; I43-V64 HydrophobicContact CG1-CG1 3.87Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å; P45-V64 HydrophobicContact CB-CG1 4.06Å; P45-V64 HydrophobicContact CG-CG1 4.34Å; V64-A71 HydrophobicContact CG1-CB 4.22Å
65	D	97.1	Very high	97	Very high	54 Å²	54	52.7 Å²	52.7	29%	0.289	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.5	164.8	174.7	10.2	0	0	0	108.5	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 3.06Å; D65-S68 PolarHBondContact OD1-N 3.27Å; D65-S68 VanDerWaalsContact OD2-CB 3.28Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.02Å; D65-T70 PolarHBondContact O-N 3.33Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	95.3	Very high	97.1	Very high	113 Å²	113	47.2 Å²	47.2	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.8	-178.9	-57.8	-177.4	-167.3	-178.1	0	111.9	T22 P45 S46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.46Å; P45-K66 WeakPolarHBondContact O-CE 3.06Å; S46-K66 WeakPolarHBondContact O-CE 3.39Å; S46-K66 PolarHBondContact O-NZ 2.89Å; K66-S68 VanDerWaalsContact C-N 3.35Å; K66-S69 PolarHBondContact O-N 2.9Å
67	S	94.9	Very high	97.1	Very high	109 Å²	109	50.5 Å²	50.5	76%	0.762	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-39.3	-176.5	72.3	0	0	0	0	111.4	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 3.06Å
68	S	96.6	Very high	97.1	Very high	37 Å²	37	45.2 Å²	45.2	26%	0.259	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.8	176.7	67.3	0	0	0	0	114	D65 K66 T70	D65-S68 PolarHBondContact OD1-N 3.27Å; D65-S68 VanDerWaalsContact OD2-CB 3.28Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; K66-S68 VanDerWaalsContact C-N 3.35Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.37Å; S68-T70 PolarHBondContact O-OG1 3.22Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 2.8Å
69	S	96.9	Very high	97.1	Very high	42 Å²	42	42.4 Å²	42.4	29%	0.294	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.4	-172.3	-64.4	0	0	0	0	112.9	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.2Å; A16-S69 PolarHBondContact N-O 3.21Å; F21-S69 VanDerWaalsContact CD1-CA 3.47Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.9Å
70	T	97.9	Very high	97	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.4	-174.1	-49.8	0	0	0	0	111.1	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.29Å; D65-T70 PolarHBondContact N-O 2.02Å; D65-T70 PolarHBondContact O-N 3.33Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 3.37Å; S68-T70 PolarHBondContact O-OG1 3.22Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 2.8Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.27Å
71	A	98.1	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.5	166.1	0	0	0	0	0	109.7	S13 C14 F21 M26 W28 I43 V64	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.1Å; F21-A71 HydrophobicContact CE2-CB 4.33Å; F21-A71 HydrophobicContact CZ-CB 3.99Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.7Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; I43-A71 HydrophobicContact CG2-CB 4.49Å; V64-A71 HydrophobicContact CG1-CB 4.22Å
72	Y	98.3	Very high	96.6	Very high	50 Å²	50	47 Å²	47	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.3	176.8	-55.2	-88.6	0	0	0	111.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CB 3.48Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å; L12-Y72 CarbonylContact O-C 3.56Å; L12-Y72 WeakPolarHBondContact O-CA 3.38Å; L12-Y72 WeakPolarHBondContact O-CB 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.45Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.27Å
73	M	98.3	Very high	96.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	166.6	177.3	177.4	69.8	0	0	108.4	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 3.05Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.63Å; W28-M73 HydrophobicContact CD2-CE 4.31Å; W28-M73 HydrophobicContact CD2-CG 4.45Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.76Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 3.99Å; W28-M73 HydrophobicContact CH2-CB 4.1Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.14Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.18Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.22Å; M73-Y86 HydrophobicContact CE-CG 4.2Å
74	Q	98.1	Very high	96.5	Very high	84 Å²	84	45.7 Å²	45.7	39%	0.393	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.1	169.9	-176.3	174.2	-2	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.23Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; A60-Q74 CarbonylContact C-O 3.55Å; A60-Q74 WeakPolarHBondContact CA-O 3.35Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.88Å
75	L	97.6	Very high	96.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.3	171.1	-62.6	164.1	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86 L100	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.94Å; K59-L75 WeakPolarHBondContact O-CA 3.23Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.86Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-L100 HydrophobicContact CD1-CD2 4.21Å
76	S	96.8	Very high	96.5	Very high	35 Å²	35	43 Å²	43	25%	0.245	25%	0.251	C	S	.	.			trans	-108.8	160.1	179.6	59.2	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.5Å; K59-S76 WeakPolarHBondContact CG-O 3.15Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.9Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.02Å
77	S	95.8	Very high	96.7	Very high	81 Å²	81	39.8 Å²	39.8	57%	0.566	24%	0.236	S	C	*	.	S	Bend	trans	49.9	52.1	172.5	-57.2	0	0	0	0	112.7	A8	A8-S77 PolarHBondContact O-N 2.87Å
78	L	95.9	Very high	96.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.204	C	C	.	.			trans	-63.6	140.8	-172.3	-69.7	173.9	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 L100 V102	V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.12Å; G7-L78 PolarHBondContact N-O 2.99Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.4Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.02Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; L78-L100 HydrophobicContact CD1-CD2 4.16Å; L78-L100 HydrophobicContact CD2-CD2 4.1Å; L78-V102 HydrophobicContact CB-CG1 4.34Å; L78-V102 HydrophobicContact CB-CG2 4.01Å; L78-V102 HydrophobicContact CD1-CG2 4.46Å
79	T	95.3	Very high	96.8	Very high	56 Å²	56	33.8 Å²	33.8	34%	0.344	19%	0.194	S	C	.	.			trans	-123.7	167.8	175.1	66	0	0	0	0	109.8	E81 D82 V102	T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.08Å; T79-D82 PolarHBondContact N-OD2 3.06Å; T79-D82 WeakPolarHBondContact O-CB 3.08Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 3.48Å; T79-V102 WeakPolarHBondContact O-CB 3.35Å; T79-V102 VanDerWaalsContact O-CG2 3.28Å; T79-V102 WeakPolarHBondContact O-CG2 3.17Å
80	S	93.8	Very high	96.6	Very high	77 Å²	77	33.4 Å²	33.4	54%	0.538	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-52.6	-32.7	176.5	53.2	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.01Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.21Å; S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 3.46Å; S80-S83 VanDerWaalsContact O-OG 3.05Å
81	E	92.4	Very high	96.1	Very high	130 Å²	130	41.3 Å²	41.3	61%	0.607	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.3	-13.5	176.8	-61.4	-172.3	177.5	0	0	114.7	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.83Å; R32-E81 VanDerWaalsContact CZ-O 3.32Å; R32-E81 PolarHBondContact NE-O 3.39Å; R32-E81 PolarHBondContact NH2-O 2.92Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.08Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82	D	95.3	Very high	95.7	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.032	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-86.1	-6.9	174.2	-57.8	-47.7	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V102	K30-D82 IonicContact NZ-OD1 3.76Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.42Å; K59-D82 IonicContact NZ-OD1 2.8Å; K59-D82 PolarHBondContact NZ-OD1 3.38Å; K59-D82 IonicContact NZ-OD2 2.56Å; K59-D82 PolarHBondContact NZ-OD2 2.97Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.21Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; T79-D82 PolarHBondContact N-OD2 3.06Å; T79-D82 WeakPolarHBondContact O-CB 3.08Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 3.48Å; S80-D82 PolarHBondContact O-N 3.01Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.43Å; D82-V102 HydrophobicContact CB-CG2 4.18Å
83	S	96.5	Very high	95.4	Very high	34 Å²	34	53.6 Å²	53.6	24%	0.238	27%	0.274	C	S	.	.			trans	-62.7	113.1	172.2	-58	0	0	0	0	109.8	S80 E81 L100 V102	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.21Å; S80-S83 PolarHBondContact O-N 3.46Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 3.46Å; S80-S83 VanDerWaalsContact O-OG 3.05Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-L100 VanDerWaalsContact CA-O 3.31Å; S83-L100 WeakPolarHBondContact CA-O 3.28Å; S83-V102 PolarHBondContact OG-N 2.81Å
84	A	97.3	Very high	95.3	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.033	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	172.4	-170.5	0	0	0	0	0	110.3	K30 Q31 R32 D82 Y86 L100	K30-A84 HydrophobicContact CD-CB 4.28Å; K30-A84 HydrophobicContact CG-CB 3.63Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.15Å; R32-A84 HydrophobicContact CG-CB 4.15Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L100 PolarHBondContact N-O 3.19Å; A84-L100 VanDerWaalsContact N-O 3.08Å; A84-L100 PolarHBondContact O-N 3.4Å
85	V	97.9	Very high	95.1	Very high	32 Å²	32	56.7 Å²	56.7	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.1	161.4	-169.5	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.61Å; Q31-V85 PolarHBondContact O-N 2.96Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.74Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å
86	Y	98.1	Very high	95	Very high	3 Å²	3	65.7 Å²	65.7	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.2	177.9	-68.5	-89.1	0	0	0	109.8	L12 V29 K30 I40 M73 L75 D82 A84 G97 T98 L100	L12-Y86 HydrophobicContact CD1-CD1 4.41Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.92Å; K30-Y86 WeakPolarHBondContact CE-OH 3.44Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.73Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.86Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.22Å; M73-Y86 HydrophobicContact CE-CG 4.2Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.28Å; D82-Y86 PolarHBondContact O-OH 3.43Å; A84-Y86 HydrophobicContact CB-CD2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G97 CarbonylContact O-C 3.57Å; Y86-G97 VanDerWaalsContact O-CA 3.25Å; Y86-G97 WeakPolarHBondContact O-CA 3.3Å; Y86-T98 PolarHBondContact N-O 3.28Å; Y86-T98 PolarHBondContact O-N 2.81Å; Y86-L100 HydrophobicContact CD2-CB 3.88Å; Y86-L100 HydrophobicContact CD2-CD2 4.33Å; Y86-L100 HydrophobicContact CE2-CB 3.74Å; Y86-L100 HydrophobicContact CE2-CD2 3.68Å; Y86-L100 HydrophobicContact CE2-CG 4.35Å
87	Y	98.1	Very high	94.9	Very high	44 Å²	44	65.3 Å²	65.3	17%	0.173	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.8	-179.9	-55.8	-87.1	0	0	0	110.2	W28 V29 Q31 V85 W94	W28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.74Å; V85-Y87 HydrophobicContact CG1-CE2 3.66Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.5Å; Y87-W94 HydrophobicContact CD1-CE3 4.46Å; Y87-W94 HydrophobicContact CD2-CZ3 4.45Å; Y87-W94 HydrophobicContact CG-CE3 4.03Å; Y87-W94 HydrophobicContact CG-CZ3 4.26Å
88	C	97.4	Very high	95	Very high	15 Å²	15	63.9 Å²	63.9	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.4	155.8	62.1	0	0	0	0	109.4	C14 M26 H27 W28 G95	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 2.89Å; C14-C88 WeakPolarHBondContact SG-CB 3.28Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.42Å; M26-C88 HydrophobicContact CG-CB 4.35Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.37Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G95 PolarHBondContact O-N 3.12Å
89	A	96.9	Very high	95	Very high	6 Å²	6	66.6 Å²	66.6	5%	0.05	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.6	-179.5	0	0	0	0	0	112.2	H27 Y93 W94	H27-A89 HydrophobicContact CB-CB 4.44Å; H27-A89 PolarHBondContact N-O 3.43Å; H27-A89 PolarHBondContact O-N 3.14Å; A89-Y93 CarbonylContact C-O 3.57Å; A89-Y93 VanDerWaalsContact CA-O 3.29Å; A89-Y93 WeakPolarHBondContact CA-O 3.36Å; A89-W94 HydrophobicContact CB-CD2 3.84Å; A89-W94 HydrophobicContact CB-CE3 3.99Å; A89-W94 HydrophobicContact CB-CG 4.29Å; A89-W94 HydrophobicContact CB-CH2 4.45Å; A89-W94 HydrophobicContact CB-CZ2 4.33Å; A89-W94 HydrophobicContact CB-CZ3 4.29Å
90	R	93.8	Very high	95.1	Very high	34 Å²	34	63.9 Å²	63.9	13%	0.128	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	107.1	172.1	178.6	-164.4	68.3	151.7	-4	108.1	Y19 Y24 D92 Y93	Y19-R90 VanDerWaalsContact CB-NH1 3.29Å; Y19-R90 VanDerWaalsContact CD2-NH1 3.29Å; Y24-R90 HydrophobicContact CD2-CG 4.47Å; Y24-R90 HydrophobicContact CG-CG 4.06Å; R90-D92 PolarHBondContact O-N 3.19Å; R90-Y93 PolarHBondContact N-O 3.3Å; R90-Y93 WeakPolarHBondContact O-CB 3.29Å; R90-Y93 PolarHBondContact O-N 2.94Å
91	W	87	Confident	95.2	Very high	173 Å²	173	62.7 Å²	62.7	66%	0.655	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	-122.4	-171.6	-64.8	-46.6	0	0	0	110.8	Y24 Y93	Y24-W91 HydrophobicContact CD1-CD2 4.41Å; Y24-W91 HydrophobicContact CD1-CE3 4.05Å; Y24-W91 AromaticContact CD1-CH2 3.56Å; Y24-W91 HydrophobicContact CD1-CH2 3.56Å; Y24-W91 AromaticContact CD1-CZ2 3.83Å; Y24-W91 HydrophobicContact CD1-CZ2 3.83Å; Y24-W91 AromaticContact CD1-CZ3 3.62Å; Y24-W91 HydrophobicContact CD1-CZ3 3.62Å; Y24-W91 AromaticContact CE1-CE3 3.94Å; Y24-W91 HydrophobicContact CE1-CE3 3.94Å; Y24-W91 AromaticContact CE1-CH2 2.94Å; Y24-W91 HydrophobicContact CE1-CH2 2.94Å; Y24-W91 AromaticContact CE1-CZ2 3.65Å; Y24-W91 HydrophobicContact CE1-CZ2 3.65Å; Y24-W91 AromaticContact CE1-CZ3 3.06Å; Y24-W91 HydrophobicContact CE1-CZ3 3.06Å; Y24-W91 HydrophobicContact CE2-CZ3 4.4Å; Y24-W91 AromaticContact CZ-CH2 3.73Å; Y24-W91 AromaticContact CZ-CZ3 3.45Å; Y24-W91 VanDerWaalsContact CZ-CZ3 3.45Å; W91-Y93 VanDerWaalsContact C-N 3.27Å; W91-Y93 PolarHBondContact O-N 2.95Å
92	D	88.3	Confident	95.3	Very high	151 Å²	151	56.8 Å²	56.8	81%	0.807	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.4	-178.3	-53.8	-41.7	0	0	0	113.3	R90	R90-D92 PolarHBondContact O-N 3.19Å
93	Y	92.6	Very high	95	Very high	158 Å²	158	58.7 Å²	58.7	62%	0.62	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.5	178.5	-63	-85.2	0	0	0	111.1	A89 R90 W91	A89-Y93 CarbonylContact C-O 3.57Å; A89-Y93 VanDerWaalsContact CA-O 3.29Å; A89-Y93 WeakPolarHBondContact CA-O 3.36Å; R90-Y93 PolarHBondContact N-O 3.3Å; R90-Y93 WeakPolarHBondContact O-CB 3.29Å; R90-Y93 PolarHBondContact O-N 2.94Å; W91-Y93 VanDerWaalsContact C-N 3.27Å; W91-Y93 PolarHBondContact O-N 2.95Å
94	W	95.8	Very high	93.9	Very high	122 Å²	122	65 Å²	65	46%	0.462	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141	178.6	-68.1	72.3	0	0	0	110.6	V29 L37 Y87 A89	V29-W94 HydrophobicContact CB-CH2 4.22Å; V29-W94 HydrophobicContact CB-CZ3 3.89Å; V29-W94 HydrophobicContact CG1-CH2 4.12Å; V29-W94 HydrophobicContact CG1-CZ3 4.04Å; V29-W94 HydrophobicContact CG2-CH2 3.86Å; V29-W94 HydrophobicContact CG2-CZ3 3.9Å; L37-W94 HydrophobicContact CD1-CH2 3.83Å; L37-W94 HydrophobicContact CD1-CZ2 4.39Å; L37-W94 HydrophobicContact CD1-CZ3 4.43Å; Y87-W94 HydrophobicContact CD1-CE3 4.46Å; Y87-W94 HydrophobicContact CD2-CZ3 4.45Å; Y87-W94 HydrophobicContact CG-CE3 4.03Å; Y87-W94 HydrophobicContact CG-CZ3 4.26Å; A89-W94 HydrophobicContact CB-CD2 3.84Å; A89-W94 HydrophobicContact CB-CE3 3.99Å; A89-W94 HydrophobicContact CB-CG 4.29Å; A89-W94 HydrophobicContact CB-CH2 4.45Å; A89-W94 HydrophobicContact CB-CZ2 4.33Å; A89-W94 HydrophobicContact CB-CZ3 4.29Å
95	G	95.2	Very high	93.7	Very high	27 Å²	27	68 Å²	68	28%	0.278	36%	0.357	S	S	.	.			trans	-67.8	163.5	166	0	0	0	0	0	111.1	C88 G97	C88-G95 PolarHBondContact O-N 3.12Å; G95-G97 PolarHBondContact O-N 2.61Å
96	Q	94.6	Very high	93.5	Very high	190 Å²	190	69.9 Å²	69.9	89%	0.888	37%	0.366	S	S	*	.			trans	-60.4	-19.2	178.6	-63.9	-62.9	-39.2	0	0	113.5
97	G	95.6	Very high	93.3	Very high	27 Å²	27	73.6 Å²	73.6	28%	0.278	39%	0.386	S	S	.	.			trans	83.3	151.5	-175.9	0	0	0	0	0	112.5	Y86 G95	Y86-G97 CarbonylContact O-C 3.57Å; Y86-G97 VanDerWaalsContact O-CA 3.25Å; Y86-G97 WeakPolarHBondContact O-CA 3.3Å; G95-G97 PolarHBondContact O-N 2.61Å
98	T	96.7	Very high	93	Very high	52 Å²	52	75.4 Å²	75.4	32%	0.319	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.9	174.6	-58.6	0	0	0	0	108.8	L12 Y86 L100	L12-T98 HydrophobicContact CD2-CG2 3.98Å; Y86-T98 PolarHBondContact N-O 3.28Å; Y86-T98 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact O-N 2.95Å
99	T	97.1	Very high	92.7	Very high	57 Å²	57	79.1 Å²	79.1	35%	0.35	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.2	171.5	-48.1	0	0	0	0	109.6	T1 E2	T1-T99 CarbonylContact C-O 3.44Å; T1-T99 WeakPolarHBondContact CA-O 3.31Å; T1-T99 HydrophobicContact CG2-CG2 4.02Å; E2-T99 PolarHBondContact N-O 3.32Å
100	L	96.1	Very high	92.4	Very high	0 Å²	0	84 Å²	84	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.5	171.2	-177.6	67.9	0	0	0	108.7	E2 V4 V10 L75 L78 S83 A84 Y86 T98	E2-L100 HydrophobicContact CB-CD1 4Å; E2-L100 HydrophobicContact CG-CD1 4.24Å; V4-L100 HydrophobicContact CG1-CD1 4.06Å; V4-L100 HydrophobicContact CG2-CD1 3.86Å; V4-L100 HydrophobicContact CG2-CG 4.47Å; V10-L100 HydrophobicContact CB-CD1 4.42Å; V10-L100 HydrophobicContact CG1-CD1 4.12Å; V10-L100 HydrophobicContact CG1-CD2 3.89Å; V10-L100 HydrophobicContact CG2-CD1 4.19Å; L75-L100 HydrophobicContact CD1-CD2 4.21Å; L78-L100 HydrophobicContact CD1-CD2 4.16Å; L78-L100 HydrophobicContact CD2-CD2 4.1Å; S83-L100 VanDerWaalsContact CA-O 3.31Å; S83-L100 WeakPolarHBondContact CA-O 3.28Å; A84-L100 PolarHBondContact N-O 3.19Å; A84-L100 VanDerWaalsContact N-O 3.08Å; A84-L100 PolarHBondContact O-N 3.4Å; Y86-L100 HydrophobicContact CD2-CB 3.88Å; Y86-L100 HydrophobicContact CD2-CD2 4.33Å; Y86-L100 HydrophobicContact CE2-CB 3.74Å; Y86-L100 HydrophobicContact CE2-CD2 3.68Å; Y86-L100 HydrophobicContact CE2-CG 4.35Å; T98-L100 PolarHBondContact O-N 2.95Å
101	T	96.3	Very high	92.3	Very high	52 Å²	52	87.6 Å²	87.6	32%	0.319	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.6	176.3	-56.3	0	0	0	0	108.8	E2 L3 V4	E2-T101 PolarHBondContact O-N 2.69Å; L3-T101 WeakPolarHBondContact CA-O 3.46Å; L3-T101 HydrophobicContact CD1-CG2 3.92Å; V4-T101 PolarHBondContact N-O 2.93Å
102	V	94.9	Very high	92.7	Very high	6 Å²	6	81 Å²	81	4%	0.036	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.1	175.6	-170.8	0	0	0	0	107.3	V4 P6 L78 T79 D82 S83 S104	V4-V102 HydrophobicContact CG2-CB 4.27Å; V4-V102 HydrophobicContact CG2-CG1 4.38Å; V4-V102 HydrophobicContact CG2-CG2 3.77Å; V4-V102 CarbonylContact O-C 3.49Å; V4-V102 WeakPolarHBondContact O-CA 3.41Å; P6-V102 HydrophobicContact CB-CG1 4.46Å; P6-V102 HydrophobicContact CG-CG1 4.23Å; L78-V102 HydrophobicContact CB-CG1 4.34Å; L78-V102 HydrophobicContact CB-CG2 4.01Å; L78-V102 HydrophobicContact CD1-CG2 4.46Å; T79-V102 WeakPolarHBondContact O-CB 3.35Å; T79-V102 VanDerWaalsContact O-CG2 3.28Å; T79-V102 WeakPolarHBondContact O-CG2 3.17Å; D82-V102 HydrophobicContact CB-CG2 4.18Å; S83-V102 PolarHBondContact OG-N 2.81Å; V102-S104 PolarHBondContact O-N 2.63Å
103	S	88.5	Confident	93.1	Very high	46 Å²	46	75.2 Å²	75.2	32%	0.322	42%	0.419	S	S	.	.			trans	-63.2	134.4	178.5	60.9	0	0	0	0	109.6	V4 P6	V4-S103 PolarHBondContact O-N 3.5Å; V4-S103 PolarHBondContact O-OG 3.27Å; P6-S103 WeakPolarHBondContact CD-O 3.4Å; P6-S103 WeakPolarHBondContact CG-O 3.48Å
104	S	73.9	Confident	93.1	Very high	165 Å²	165	67.6 Å²	67.6	100%	1.154	40%	0.401	S	S	*	.			trans	-67.8	0	170.9	46.6	0	0	0	0	112.6	V102	V102-S104 PolarHBondContact O-N 2.63Å

Retrieved 104 of 104 residues in 28.2 ms (Link to these results)

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