X5J4H7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4H7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 aa.

						>X5J4H7_MOUSE|X5J4H7
PELVKPGASVKTSCKASGYTFTDYNMHWVKQSHGKSLEWIGYINPNNGGTSYNQKFKGKATLTVNKSSSTAYMELRSLTSEDSAVYYCAGRGYYDYDEGFAYWGQGTLV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	59.3	Low	82.5	Confident	141 Å²	141	91.5 Å²	91.5	92%	0.916	53%	0.527	S	S	*	.				0	120.6	0	-5	24.9	0	0	0	109.5	L108	P1-L108 VanDerWaalsContact CA-O 3.31Å; P1-L108 WeakPolarHBondContact CA-O 3.3Å; P1-L108 HydrophobicContact CB-CB 4.34Å; P1-L108 HydrophobicContact CB-CD2 4.49Å
2	E	69.4	Low	83.5	Confident	87 Å²	87	84.5 Å²	84.5	41%	0.407	49%	0.487	S	S	.	.			trans	-106.5	110.9	-178.6	-159.9	170.2	168.1	0	0	109.2	V4 V10 L108	E2-V4 HydrophobicContact CG-CG1 4.03Å; E2-V10 HydrophobicContact CB-CG2 4.32Å; E2-V10 HydrophobicContact CG-CG2 3.99Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.32Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-L108 PolarHBondContact N-O 3.24Å
3	L	76.4	Confident	84.5	Confident	180 Å²	180	84.1 Å²	84.1	94%	0.942	49%	0.492	S	S	*	.			trans	-88.8	110.1	178.7	-167.8	91.3	0	0	0	109.2
4	V	78.9	Confident	85.4	Confident	44 Å²	44	79.1 Å²	79.1	27%	0.267	46%	0.464	S	S	.	.			trans	-117.3	147.1	-176.3	-66.9	0	0	0	0	111.8	E2 A8 V10 L78 V109	E2-V4 HydrophobicContact CG-CG1 4.03Å; V4-A8 HydrophobicContact CB-CB 4.46Å; V4-V10 HydrophobicContact CG1-CB 4.32Å; V4-V10 HydrophobicContact CG1-CG2 4.12Å; V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; V4-V109 HydrophobicContact CG2-CG1 4.3Å
5	K	82.2	Confident	86.1	Confident	173 Å²	173	84.1 Å²	84.1	75%	0.752	48%	0.478	S	S	*	.			trans	-74.2	147	175.7	-66.1	-178.4	-178.2	178.7	0	110.1	G7 A8	K5-G7 PolarHBondContact O-N 2.99Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.2Å
6	P	82.7	Confident	86.5	Confident	111 Å²	111	79.4 Å²	79.4	72%	0.721	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	139.5	169.4	-25.3	34.3	0	0	0	111.5	A8 L78	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.79Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å
7	G	84.3	Confident	86.7	Confident	54 Å²	54	80.5 Å²	80.5	56%	0.557	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-11.6	-175	0	0	0	0	0	114.8	K5 L78	K5-G7 PolarHBondContact O-N 2.99Å; G7-L78 PolarHBondContact N-O 2.62Å
8	A	90.6	Very high	86.7	Confident	35 Å²	35	80.7 Å²	80.7	29%	0.289	49%	0.489	S	S	.	.			trans	-73.6	166.3	174.2	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.46Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.2Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.79Å; A8-S77 PolarHBondContact O-N 3.19Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	93.5	Very high	86.6	Confident	60 Å²	60	78.8 Å²	78.8	42%	0.42	47%	0.472	S	S	.	.			trans	-107.1	146.8	169.1	-57.4	0	0	0	0	109.6	L75	S9-L75 CarbonylContact C-O 3.4Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å
10	V	94.4	Very high	86.8	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.012	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.1	175.3	77	0	0	0	0	109.3	E2 V4 E74 L75 L78 V109	E2-V10 HydrophobicContact CB-CG2 4.32Å; E2-V10 HydrophobicContact CG-CG2 3.99Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.32Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V4-V10 HydrophobicContact CG1-CB 4.32Å; V4-V10 HydrophobicContact CG1-CG2 4.12Å; V10-E74 CarbonylContact O-C 3.5Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 2.76Å; V10-L78 HydrophobicContact CB-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-V109 HydrophobicContact CB-CG1 4.34Å; V10-V109 HydrophobicContact CG1-CG1 3.79Å; V10-V109 HydrophobicContact CG1-CG2 4.39Å; V10-V109 HydrophobicContact CG2-CG1 4.32Å; V10-V109 HydrophobicContact CG2-CG2 4.49Å
11	K	95.3	Very high	87	Confident	119 Å²	119	75.5 Å²	75.5	52%	0.517	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.8	176.4	-172.9	177.3	-179.5	177.8	0	109.9
12	T	95.1	Very high	88.6	Confident	8 Å²	8	70.8 Å²	70.8	5%	0.049	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151.5	176.3	58.2	0	0	0	0	110.4	W28 Y72 M73 T107 V109	T12-W28 WeakPolarHBondContact OG1-CZ3 3.37Å; T12-Y72 WeakPolarHBondContact O-CA 3.43Å; T12-M73 PolarHBondContact N-O 3.04Å; T12-M73 PolarHBondContact O-N 2.83Å; T12-M73 WeakPolarHBondContact OG1-CE 3.4Å; T12-M73 PolarHBondContact OG1-O 2.88Å; T12-T107 HydrophobicContact CG2-CG2 3.83Å; T12-V109 HydrophobicContact CG2-CG2 4.04Å
13	S	96.5	Very high	89.7	Confident	79 Å²	79	69.5 Å²	69.5	55%	0.552	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.8	179.6	73.3	0	0	0	0	111	A71	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å
14	C	96.4	Very high	90.4	Very high	15 Å²	15	63 Å²	63	10%	0.101	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	111.7	174.8	-179.5	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 3.49Å; C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.36Å
15	K	96	Very high	91.1	Very high	153 Å²	153	62 Å²	62	67%	0.665	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	122	177.8	-174.2	176	-178.9	-178	0	109.3	T70	K15-T70 HydrophobicContact CB-CG2 4.4Å
16	A	92.9	Very high	91.8	Very high	10 Å²	10	53.9 Å²	53.9	8%	0.083	34%	0.339	C	S	.	.			trans	-74.7	145.9	174.2	0	0	0	0	0	111	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.1Å; A16-Y19 HydrophobicContact CB-CE2 3.9Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 4.14Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 4.01Å; A16-S69 PolarHBondContact N-O 2.8Å
17	S	90.1	Very high	92.5	Very high	97 Å²	97	49.3 Å²	49.3	68%	0.678	31%	0.308	S	S	*	.			trans	-149	142.1	177	59	0	0	0	0	110.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.47Å
18	G	86.2	Confident	93.1	Very high	85 Å²	85	47 Å²	47	88%	0.876	28%	0.282	S	S	*	.	S	Bend	trans	86.1	3.1	175.5	0	0	0	0	0	115.4
19	Y	84.8	Confident	93.4	Very high	44 Å²	44	45.5 Å²	45.5	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-151.6	163.9	175.3	61.2	-90.5	0	0	0	111.6	A16 S17 F21 Y24 Y102	A16-Y19 HydrophobicContact CB-CE1 4.1Å; A16-Y19 HydrophobicContact CB-CE2 3.9Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; Y19-F21 PolarHBondContact O-N 2.78Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 HydrophobicContact CD2-CD1 4.46Å; Y19-Y24 AromaticContact CD2-CD2 3.33Å; Y19-Y24 HydrophobicContact CD2-CD2 3.33Å; Y19-Y24 AromaticContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 3.64Å; Y19-Y24 AromaticContact CD2-CG 3.82Å; Y19-Y24 HydrophobicContact CD2-CG 3.82Å; Y19-Y24 HydrophobicContact CE2-CD1 4.35Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.4Å; Y19-Y24 AromaticContact CE2-CG 3.73Å; Y19-Y24 HydrophobicContact CE2-CG 3.73Å; Y19-Y24 HydrophobicContact CG-CD2 4.22Å; Y19-Y24 HydrophobicContact CG-CE2 4.09Å; Y19-Y102 HydrophobicContact CD1-CD2 4.11Å; Y19-Y102 HydrophobicContact CD1-CE1 4.5Å; Y19-Y102 HydrophobicContact CD1-CE2 4.01Å; Y19-Y102 HydrophobicContact CD1-CG 4.41Å; Y19-Y102 AromaticContact CE1-CD2 3.98Å; Y19-Y102 HydrophobicContact CE1-CD2 3.98Å; Y19-Y102 HydrophobicContact CE1-CE2 4.36Å; Y19-Y102 HydrophobicContact CE1-CG 4.09Å; Y19-Y102 HydrophobicContact CG-CE2 4.38Å
20	T	90.9	Very high	93.5	Very high	80 Å²	80	43.3 Å²	43.3	49%	0.491	25%	0.252	S	S	.	.			trans	-68.8	106.6	173.2	-56.7	0	0	0	0	109.6	T22 D23	T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 3.26Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-D23 WeakPolarHBondContact CB-OD2 3.42Å; T20-D23 HydrophobicContact CG2-CB 4.41Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.44Å; T20-D23 PolarHBondContact O-N 3.46Å
21	F	91.9	Very high	93.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-57.2	-30.5	-173.5	178.8	-127.3	0	0	0	114.2	A16 Y19 D23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.14Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.98Å; A16-F21 HydrophobicContact CB-CG 4.01Å; Y19-F21 PolarHBondContact O-N 2.78Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CD2-CE 4.47Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CB 4.48Å; F21-P45 HydrophobicContact CD2-CG 4.16Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE1-CG 4.03Å; F21-P45 HydrophobicContact CE2-CB 4.29Å; F21-P45 HydrophobicContact CE2-CG 3.78Å; F21-P45 HydrophobicContact CG-CB 4.29Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.89Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; F21-P45 WeakPolarHBondContact O-CG 3.41Å; F21-V64 HydrophobicContact CD1-CG2 4.46Å; F21-V64 HydrophobicContact CE1-CG2 3.26Å; F21-V64 HydrophobicContact CZ-CG2 3.5Å; F21-V64 VanDerWaalsContact CZ-CG2 3.5Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-A71 HydrophobicContact CZ-CB 4.11Å
22	T	93.1	Very high	93.5	Very high	43 Å²	43	41.3 Å²	41.3	26%	0.264	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-76.3	-9.2	178.3	51.1	0	0	0	0	114.4	T20 Y24 N46 Y93	T20-T22 WeakPolarHBondContact CG2-OG1 3.43Å; T20-T22 PolarHBondContact O-N 3.26Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-N46 WeakPolarHBondContact O-CB 3.09Å; T22-Y93 WeakPolarHBondContact O-CE2 3.18Å
23	D	91.7	Very high	93.2	Very high	60 Å²	60	48.1 Å²	48.1	32%	0.321	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-93.7	5.1	-178.7	-60.9	-10.6	0	0	0	112.3	T20 F21 Y93	T20-D23 WeakPolarHBondContact CB-OD2 3.42Å; T20-D23 HydrophobicContact CG2-CB 4.41Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.44Å; T20-D23 PolarHBondContact O-N 3.46Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.83Å; D23-Y93 VanDerWaalsContact C-CE2 3.43Å; D23-Y93 WeakPolarHBondContact O-CD2 3.31Å; D23-Y93 PolarHBondContact O-N 3Å
24	Y	91.6	Very high	92.7	Very high	43 Å²	43	48.8 Å²	48.8	17%	0.169	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.5	-174.6	-71.9	-106.2	0	0	0	111	Y19 T22 P45 R91 G92 A101 Y102	Y19-Y24 HydrophobicContact CD2-CD1 4.46Å; Y19-Y24 AromaticContact CD2-CD2 3.33Å; Y19-Y24 HydrophobicContact CD2-CD2 3.33Å; Y19-Y24 AromaticContact CD2-CE2 3.64Å; Y19-Y24 HydrophobicContact CD2-CE2 3.64Å; Y19-Y24 AromaticContact CD2-CG 3.82Å; Y19-Y24 HydrophobicContact CD2-CG 3.82Å; Y19-Y24 HydrophobicContact CE2-CD1 4.35Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.4Å; Y19-Y24 AromaticContact CE2-CG 3.73Å; Y19-Y24 HydrophobicContact CE2-CG 3.73Å; Y19-Y24 HydrophobicContact CG-CD2 4.22Å; Y19-Y24 HydrophobicContact CG-CE2 4.09Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; Y24-P45 WeakPolarHBondContact O-CD 3.43Å; Y24-P45 VanDerWaalsContact O-CG 3.31Å; Y24-P45 WeakPolarHBondContact O-CG 3.21Å; Y24-R91 CarbonylContact C-O 3.58Å; Y24-R91 VanDerWaalsContact CA-O 3.26Å; Y24-R91 WeakPolarHBondContact CA-O 3.17Å; Y24-G92 VanDerWaalsContact CE1-CA 3.5Å; Y24-A101 HydrophobicContact CE1-CB 4.4Å; Y24-Y102 HydrophobicContact CD1-CD2 4.26Å; Y24-Y102 HydrophobicContact CD1-CE2 4.37Å; Y24-Y102 AromaticContact CE1-CD2 3.84Å; Y24-Y102 HydrophobicContact CE1-CD2 3.84Å; Y24-Y102 AromaticContact CE1-CE2 3.55Å; Y24-Y102 HydrophobicContact CE1-CE2 3.55Å; Y24-Y102 AromaticContact CZ-CE2 3.82Å
25	N	93.9	Very high	92.2	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	137.7	160.9	-69.8	-46.5	0	0	0	109.6	H27 Y42 N44 G90 R91 Y93	N25-H27 WeakPolarHBondContact CB-NE2 3.47Å; N25-Y42 HydrophobicContact CB-CD2 3.95Å; N25-Y42 HydrophobicContact CB-CG 4.43Å; N25-N44 WeakPolarHBondContact OD1-CA 3.23Å; N25-N44 WeakPolarHBondContact OD1-CB 3.39Å; N25-G90 WeakPolarHBondContact O-CA 3.31Å; N25-R91 PolarHBondContact N-O 2.78Å; N25-R91 PolarHBondContact O-N 3.38Å; N25-Y93 WeakPolarHBondContact ND2-CE1 3.09Å; N25-Y93 WeakPolarHBondContact OD1-CE1 3.48Å; N25-Y93 PolarHBondContact OD1-OH 3.12Å
26	M	96	Very high	91.9	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.9	170.4	-173.6	62	67.8	0	0	109.8	F21 Y42 I43 A71 C88	F21-M26 HydrophobicContact CD2-CE 4.47Å; F21-M26 HydrophobicContact CE2-CE 3.82Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 WeakPolarHBondContact O-CB 3.48Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 3.05Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.56Å; M26-C88 HydrophobicContact SD-CB 3.74Å
27	H	96.4	Very high	91.9	Very high	15 Å²	15	55 Å²	55	7%	0.069	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151.7	178.4	-66.3	-112.3	0	0	0	110.9	N25 W39 G41 Y42 C88 A89 F100	N25-H27 WeakPolarHBondContact CB-NE2 3.47Å; H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-CE2 3.91Å; H27-W39 AromaticContact ND1-NE1 3.13Å; H27-W39 PolarHBondContact ND1-NE1 3.42Å; H27-W39 VanDerWaalsContact ND1-NE1 3.13Å; H27-G41 WeakPolarHBondContact CA-O 3.37Å; H27-Y42 AromaticContact CE1-CD1 3.92Å; H27-Y42 AromaticContact CE1-CG 3.92Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.13Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 3.02Å; H27-A89 PolarHBondContact O-N 2.87Å; H27-F100 HydrophobicContact CB-CD1 4.34Å; H27-F100 HydrophobicContact CB-CE1 3.62Å; H27-F100 HydrophobicContact CB-CZ 4.13Å; H27-F100 AromaticContact CD2-CE1 3.58Å; H27-F100 AromaticContact CE1-CE1 3.86Å; H27-F100 AromaticContact CG-CE1 3.29Å; H27-F100 AromaticContact CG-CZ 3.97Å; H27-F100 AromaticContact ND1-CE1 3.47Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.18Å; H27-F100 AromaticContact ND1-CZ 3.81Å; H27-F100 AromaticContact NE2-CE1 3.94Å
28	W	97.7	Very high	92.2	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.019	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.2	174.2	-66.6	87.8	0	0	0	109.9	T12 C14 I40 G41 L62 A71 M73 Y87 C88	T12-W28 WeakPolarHBondContact OG1-CZ3 3.37Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.39Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; W28-A71 HydrophobicContact CZ2-CB 4.31Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.57Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.75Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; W28-Y87 WeakPolarHBondContact CA-O 3.47Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å
29	V	97.1	Very high	92.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.7	-173.3	-176.2	0	0	0	0	109.2	L37 E38 Y86 Y87 W103	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 4.01Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; V29-Y87 PolarHBondContact N-O 3.28Å; V29-Y87 PolarHBondContact O-N 2.82Å; V29-W103 HydrophobicContact CB-CH2 4.28Å; V29-W103 HydrophobicContact CB-CZ3 4.06Å; V29-W103 HydrophobicContact CG1-CH2 4.25Å; V29-W103 HydrophobicContact CG1-CZ3 4.3Å; V29-W103 HydrophobicContact CG2-CH2 3.9Å; V29-W103 HydrophobicContact CG2-CZ3 4.02Å
30	K	96	Very high	93.3	Very high	13 Å²	13	49.8 Å²	49.8	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.2	175.4	-175.8	-177.1	179.9	-170.3	0	109.9	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.01Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 2.78Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CB-CZ 4.35Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; K30-E81 PolarHBondContact NZ-O 3.1Å; K30-D82 IonicContact NZ-OD1 3.86Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 VanDerWaalsContact CE-CB 3.47Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	95.9	Very high	93.6	Very high	68 Å²	68	46 Å²	46	32%	0.318	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	101.3	168.5	-168.4	-179.6	29.4	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-V85 PolarHBondContact N-O 3Å; Q31-V85 PolarHBondContact O-N 3.06Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å
32	S	93.6	Very high	93.8	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.084	26%	0.264	C	S	.	.			trans	-75.1	154.3	171.1	-72.9	0	0	0	0	111	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.01Å; S32-G34 PolarHBondContact O-N 2.99Å; S32-K35 PolarHBondContact O-N 2.8Å
33	H	88.9	Confident	94	Very high	150 Å²	150	47.1 Å²	47.1	69%	0.694	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	123.5	-179.4	-72.8	-157	0	0	0	111.5	K35	H33-K35 PolarHBondContact O-N 2.77Å
34	G	85.1	Confident	94.2	Very high	94 Å²	94	45 Å²	45	97%	0.969	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	10.5	179.7	0	0	0	0	0	115.4	S32	S32-G34 PolarHBondContact O-N 2.99Å
35	K	86.1	Confident	94.4	Very high	129 Å²	129	42.9 Å²	42.9	56%	0.561	23%	0.233	S	C	*	.	S	Bend	trans	-111.9	160.6	179.5	-62.2	-168.1	-176.7	176.3	0	112.3	S32 H33	S32-K35 PolarHBondContact O-N 2.8Å; H33-K35 PolarHBondContact O-N 2.77Å
36	S	90	Very high	94.4	Very high	93 Å²	93	46.1 Å²	46.1	65%	0.65	25%	0.25	S	S	*	.			trans	-64.6	163.3	171.3	58.4	0	0	0	0	111.8	E38	S36-E38 PolarHBondContact O-N 2.94Å
37	L	93.9	Very high	94.3	Very high	87 Å²	87	51.4 Å²	51.4	46%	0.455	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.1	171.8	-63.8	177.3	0	0	0	110.7	V29 Q31 Y87 W103	V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 4.01Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.74Å; Q31-L37 HydrophobicContact CG-CD2 3.88Å; L37-Y87 HydrophobicContact CD2-CD2 4.47Å; L37-Y87 HydrophobicContact CD2-CE2 4.35Å; L37-W103 HydrophobicContact CD1-CH2 3.91Å; L37-W103 HydrophobicContact CD1-CZ3 4.48Å
38	E	95.5	Very high	94.3	Very high	39 Å²	39	52.4 Å²	52.4	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.3	175.6	-69.8	-169.3	-105	0	0	109.8	V29 K30 S36 I40 K55	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 2.78Å; S36-E38 PolarHBondContact O-N 2.94Å; E38-I40 PolarHBondContact O-N 2.77Å; E38-K55 IonicContact OE2-NZ 2.78Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å
39	W	95.9	Very high	94.2	Very high	77 Å²	77	53.7 Å²	53.7	29%	0.292	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.6	176.4	-179.6	70.9	0	0	0	111	H27 G41 Y42 N53	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CD1 3.97Å; H27-W39 AromaticContact ND1-CE2 3.91Å; H27-W39 AromaticContact ND1-NE1 3.13Å; H27-W39 PolarHBondContact ND1-NE1 3.42Å; H27-W39 VanDerWaalsContact ND1-NE1 3.13Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.57Å; W39-Y42 HydrophobicContact CH2-CD1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.78Å; W39-Y42 HydrophobicContact CZ2-CD1 3.78Å; W39-Y42 HydrophobicContact CZ2-CG 4.48Å; W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 2.89Å
40	I	97.3	Very high	94.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-50.2	-178	-61.3	174.7	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 2.77Å; I40-N53 PolarHBondContact O-N 3Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CD1-CE1 4.47Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.16Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.02Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; I40-A60 HydrophobicContact CG2-CB 3.81Å; I40-M73 HydrophobicContact CD1-CE 4.25Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 4.12Å; I40-Y86 HydrophobicContact CD1-CD1 3.62Å; I40-Y86 HydrophobicContact CD1-CE1 3.67Å
41	G	97.3	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	175.5	-168.6	0	0	0	0	0	112.3	H27 W28 W39 S51	H27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 3.39Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.57Å; G41-S51 CarbonylContact C-O 3.51Å; G41-S51 WeakPolarHBondContact CA-O 3Å
42	Y	97	Very high	94.3	Very high	69 Å²	69	57.5 Å²	57.5	27%	0.271	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	155.5	169	81.7	-101.7	0	0	0	110.9	N25 M26 H27 W39 N44 T50 S51 L62	N25-Y42 HydrophobicContact CB-CD2 3.95Å; N25-Y42 HydrophobicContact CB-CG 4.43Å; M26-Y42 CarbonylContact O-C 3.5Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 WeakPolarHBondContact O-CB 3.48Å; H27-Y42 AromaticContact CE1-CD1 3.92Å; H27-Y42 AromaticContact CE1-CG 3.92Å; H27-Y42 WeakPolarHBondContact ND1-CB 3.13Å; W39-Y42 HydrophobicContact CH2-CD1 4.36Å; W39-Y42 AromaticContact CZ2-CD1 3.78Å; W39-Y42 HydrophobicContact CZ2-CD1 3.78Å; W39-Y42 HydrophobicContact CZ2-CG 4.48Å; Y42-N44 HydrophobicContact CE2-CB 4.35Å; Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.22Å; Y42-S51 PolarHBondContact N-O 3.34Å; Y42-S51 PolarHBondContact O-N 2.82Å; Y42-L62 VanDerWaalsContact C-CD1 3.45Å; Y42-L62 WeakPolarHBondContact O-CD1 3.26Å
43	I	97.4	Very high	94.5	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.8	165.8	-174.6	162.9	0	0	0	109.4	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 3.11Å; M26-I43 PolarHBondContact O-N 3.05Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.38Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.43Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.32Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 3.88Å; I43-V64 HydrophobicContact CG1-CG1 4.45Å; I43-A71 HydrophobicContact CG2-CB 4.38Å
44	N	95.8	Very high	94.8	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.08	34%	0.34	C	S	.	.			trans	-83.1	110.7	171.1	177.5	-35.9	0	0	0	108.4	N25 Y42 N46 N47 G48 G49 Y93	N25-N44 WeakPolarHBondContact OD1-CA 3.23Å; N25-N44 WeakPolarHBondContact OD1-CB 3.39Å; Y42-N44 HydrophobicContact CE2-CB 4.35Å; N44-N46 PolarHBondContact O-N 3.12Å; N44-N46 VanDerWaalsContact OD1-CA 3.31Å; N44-N46 WeakPolarHBondContact OD1-CA 3.35Å; N44-N46 WeakPolarHBondContact OD1-CB 3.47Å; N44-N46 PolarHBondContact OD1-N 3.12Å; N44-N47 VanDerWaalsContact CB-OD1 3.28Å; N44-N47 WeakPolarHBondContact CB-OD1 3.46Å; N44-N47 PolarHBondContact ND2-ND2 3.22Å; N44-N47 PolarHBondContact ND2-OD1 3Å; N44-N47 PolarHBondContact OD1-N 2.95Å; N44-N47 PolarHBondContact OD1-OD1 3.12Å; N44-G48 WeakPolarHBondContact O-CA 3.04Å; N44-G48 PolarHBondContact O-N 2.98Å; N44-G49 PolarHBondContact N-O 3.11Å; N44-Y93 PolarHBondContact ND2-OH 2.82Å; N44-Y93 PolarHBondContact OD1-OH 3.4Å
45	P	95.6	Very high	95.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.4	179.1	-23.2	38	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.35Å; F21-P45 HydrophobicContact CD2-CB 4.48Å; F21-P45 HydrophobicContact CD2-CG 4.16Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE1-CG 4.03Å; F21-P45 HydrophobicContact CE2-CB 4.29Å; F21-P45 HydrophobicContact CE2-CG 3.78Å; F21-P45 HydrophobicContact CG-CB 4.29Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.89Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; F21-P45 WeakPolarHBondContact O-CG 3.41Å; Y24-P45 WeakPolarHBondContact O-CD 3.43Å; Y24-P45 VanDerWaalsContact O-CG 3.31Å; Y24-P45 WeakPolarHBondContact O-CG 3.21Å; I43-P45 VanDerWaalsContact O-CD 3.28Å; I43-P45 WeakPolarHBondContact O-CD 3.33Å; P45-V64 HydrophobicContact CB-CG2 3.95Å; P45-V64 HydrophobicContact CG-CG2 4.45Å; P45-K66 WeakPolarHBondContact O-CD 3.33Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å
46	N	94.3	Very high	95.6	Very high	90 Å²	90	55.7 Å²	55.7	48%	0.481	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-50.3	179	-172.5	20.1	0	0	0	112	T22 N44 K66	T22-N46 WeakPolarHBondContact O-CB 3.09Å; N44-N46 PolarHBondContact O-N 3.12Å; N44-N46 VanDerWaalsContact OD1-CA 3.31Å; N44-N46 WeakPolarHBondContact OD1-CA 3.35Å; N44-N46 WeakPolarHBondContact OD1-CB 3.47Å; N44-N46 PolarHBondContact OD1-N 3.12Å; N46-K66 PolarHBondContact O-NZ 3.13Å
47	N	94.3	Very high	95.7	Very high	115 Å²	115	58 Å²	58	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-3.9	-174.4	66.5	21	0	0	0	114.9	N44 G49	N44-N47 VanDerWaalsContact CB-OD1 3.28Å; N44-N47 WeakPolarHBondContact CB-OD1 3.46Å; N44-N47 PolarHBondContact ND2-ND2 3.22Å; N44-N47 PolarHBondContact ND2-OD1 3Å; N44-N47 PolarHBondContact OD1-N 2.95Å; N44-N47 PolarHBondContact OD1-OD1 3.12Å; N47-G49 PolarHBondContact O-N 2.89Å; N47-G49 PolarHBondContact OD1-N 2.84Å
48	G	94.9	Very high	95.7	Very high	36 Å²	36	57.3 Å²	57.3	37%	0.371	31%	0.311	S	S	.	.			trans	76.9	4.6	-179.1	0	0	0	0	0	114.6	N44	N44-G48 WeakPolarHBondContact O-CA 3.04Å; N44-G48 PolarHBondContact O-N 2.98Å
49	G	96.3	Very high	95.6	Very high	31 Å²	31	57.8 Å²	57.8	32%	0.32	31%	0.313	S	S	.	.			trans	-59.9	137.3	176.7	0	0	0	0	0	111.4	I43 N44 N47	I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.38Å; N44-G49 PolarHBondContact N-O 3.11Å; N47-G49 PolarHBondContact O-N 2.89Å; N47-G49 PolarHBondContact OD1-N 2.84Å
50	T	97.3	Very high	95.7	Very high	63 Å²	63	54.3 Å²	54.3	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.7	-179.2	53.4	0	0	0	0	111.4	Y42 I43 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.29Å; Y42-T50 WeakPolarHBondContact O-CA 3.22Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; T50-L62 HydrophobicContact CG2-CB 4.19Å
51	S	96.9	Very high	95.7	Very high	46 Å²	46	56.2 Å²	56.2	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.5	168.3	-173.9	0	0	0	0	109.3	G41 Y42	G41-S51 CarbonylContact C-O 3.51Å; G41-S51 WeakPolarHBondContact CA-O 3Å; Y42-S51 PolarHBondContact N-O 3.34Å; Y42-S51 PolarHBondContact O-N 2.82Å
52	Y	97.7	Very high	95.8	Very high	56 Å²	56	56.6 Å²	56.6	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.9	-174.7	-62.4	-93	0	0	0	110.2	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; Y52-A60 HydrophobicContact CD1-CB 4.43Å; Y52-A60 HydrophobicContact CE1-CB 4.25Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.27Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 3.42Å; Y52-L62 VanDerWaalsContact OH-N 3.13Å
53	N	96.4	Very high	95.8	Very high	47 Å²	47	56.2 Å²	56.2	25%	0.251	32%	0.319	S	S	.	.			trans	-67	139.1	158.3	-179.5	-27.4	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 2.89Å; I40-N53 PolarHBondContact O-N 3Å; N53-K55 PolarHBondContact O-N 3.38Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.01Å; N53-K57 PolarHBondContact O-N 3.43Å; N53-K57 VanDerWaalsContact O-N 3.14Å
54	Q	95.4	Very high	95.8	Very high	145 Å²	145	57.9 Å²	57.9	68%	0.678	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-53.9	-35.3	-177.5	-64.9	-62.6	-15.1	0	0	112.9	F56 K57	Q54-F56 PolarHBondContact O-N 3.4Å; Q54-K57 PolarHBondContact O-N 3.05Å
55	K	92.9	Very high	95.8	Very high	147 Å²	147	60.1 Å²	60.1	64%	0.639	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61	-28.5	177.9	-65.1	-172.7	-173.3	178.6	0	113.8	E38 N53	E38-K55 IonicContact OE2-NZ 2.78Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å; N53-K55 PolarHBondContact O-N 3.38Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 2.86Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	94.8	Very high	95.8	Very high	9 Å²	9	65.2 Å²	65.2	4%	0.039	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-107.7	-5	-175.1	-62.5	-84.2	0	0	0	112.8	K30 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.35Å; K30-F56 HydrophobicContact CD-CE1 4.05Å; K30-F56 HydrophobicContact CD-CZ 3.91Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CD1-CE1 4.47Å; I40-F56 HydrophobicContact CG1-CD1 4.15Å; I40-F56 HydrophobicContact CG1-CD2 4.16Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.02Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CB 3.77Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.01Å; Q54-F56 PolarHBondContact O-N 3.4Å; F56-G58 PolarHBondContact O-N 3.45Å; F56-K59 PolarHBondContact O-N 2.76Å; F56-A60 HydrophobicContact CB-CB 4.25Å; F56-A60 PolarHBondContact O-N 3.38Å
57	K	93.9	Very high	95.7	Very high	140 Å²	140	66.3 Å²	66.3	61%	0.609	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-62.8	123.9	176.6	-166.7	174.5	-177.2	179.9	0	109.3	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.43Å; N53-K57 VanDerWaalsContact O-N 3.14Å; Q54-K57 PolarHBondContact O-N 3.05Å; K57-K59 PolarHBondContact O-N 2.89Å
58	G	92.3	Very high	95.8	Very high	73 Å²	73	62.7 Å²	62.7	75%	0.753	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-15.7	-174.9	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.45Å
59	K	94.8	Very high	95.8	Very high	49 Å²	49	62.9 Å²	62.9	21%	0.213	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-42.6	174.8	-165.4	170.3	-166.7	171.6	0	112.6	F56 K57 L75 R76 D82	F56-K59 PolarHBondContact O-N 2.76Å; K57-K59 PolarHBondContact O-N 2.89Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; K59-R76 WeakPolarHBondContact CG-O 3.13Å; K59-R76 PolarHBondContact O-N 3.05Å; K59-D82 WeakPolarHBondContact CE-OD1 3.07Å; K59-D82 WeakPolarHBondContact CE-OD2 2.87Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.78Å
60	A	97.1	Very high	95.9	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.033	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.3	176.7	0	0	0	0	0	110.8	I40 Y52 F56 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.81Å; Y52-A60 HydrophobicContact CD1-CB 4.43Å; Y52-A60 HydrophobicContact CE1-CB 4.25Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.27Å; F56-A60 HydrophobicContact CB-CB 4.25Å; F56-A60 PolarHBondContact O-N 3.38Å; A60-E74 CarbonylContact C-O 3.44Å; A60-E74 WeakPolarHBondContact CA-O 3.36Å; A60-L75 HydrophobicContact CB-CD2 3.84Å
61	T	98	Very high	95.9	Very high	40 Å²	40	58.8 Å²	58.8	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.3	168.2	-59.9	0	0	0	0	108.8	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.39Å; T61-E74 PolarHBondContact N-O 2.9Å; T61-E74 PolarHBondContact O-N 3.49Å
62	L	98.3	Very high	95.9	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.6	178.8	-52.8	-176.9	0	0	0	110.3	W28 Y42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; Y42-L62 VanDerWaalsContact C-CD1 3.45Å; Y42-L62 WeakPolarHBondContact O-CD1 3.26Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.43Å; I43-L62 HydrophobicContact CD1-CB 4.37Å; I43-L62 HydrophobicContact CG2-CB 4.32Å; T50-L62 HydrophobicContact CG2-CB 4.19Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 3.42Å; Y52-L62 VanDerWaalsContact OH-N 3.13Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.42Å
63	T	98	Very high	95.9	Very high	60 Å²	60	56.6 Å²	56.6	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.2	176.8	58.8	0	0	0	0	110.8	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-A71 CarbonylContact O-C 3.6Å; T63-A71 WeakPolarHBondContact O-CA 3.48Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 2.9Å
64	V	97.4	Very high	96	Very high	40 Å²	40	57.1 Å²	57.1	24%	0.242	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.9	-177.4	65.5	0	0	0	0	111.2	F21 I43 P45	F21-V64 HydrophobicContact CD1-CG2 4.46Å; F21-V64 HydrophobicContact CE1-CG2 3.26Å; F21-V64 HydrophobicContact CZ-CG2 3.5Å; F21-V64 VanDerWaalsContact CZ-CG2 3.5Å; I43-V64 HydrophobicContact CD1-CB 3.97Å; I43-V64 HydrophobicContact CD1-CG1 3.88Å; I43-V64 HydrophobicContact CG1-CG1 4.45Å; P45-V64 HydrophobicContact CB-CG2 3.95Å; P45-V64 HydrophobicContact CG-CG2 4.45Å
65	N	96.3	Very high	96	Very high	62 Å²	62	50.2 Å²	50.2	33%	0.332	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.9	166.1	-175.3	-8.6	0	0	0	108.9	S67 S68 S69 T70 Y72	N65-S67 PolarHBondContact OD1-N 2.87Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å; N65-S67 PolarHBondContact OD1-OG 2.91Å; N65-S68 PolarHBondContact ND2-OG 3.34Å; N65-S69 PolarHBondContact O-N 3.14Å; N65-S69 VanDerWaalsContact O-N 3.16Å; N65-T70 PolarHBondContact N-O 2.85Å; N65-T70 PolarHBondContact O-N 3.14Å; N65-Y72 HydrophobicContact CB-CE2 4.02Å
66	K	93.8	Very high	96.1	Very high	108 Å²	108	48.3 Å²	48.3	47%	0.47	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-37.8	-177.8	-55.2	-171.3	-163.9	-170.3	0	112.2	P45 N46 S68 S69	P45-K66 WeakPolarHBondContact O-CD 3.33Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å; N46-K66 PolarHBondContact O-NZ 3.13Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.99Å; K66-S69 PolarHBondContact O-N 2.03Å; K66-S69 VanDerWaalsContact O-N 3.11Å
67	S	92.9	Very high	96	Very high	113 Å²	113	51.8 Å²	51.8	79%	0.79	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.8	-176.3	66	0	0	0	0	112.2	N65	N65-S67 PolarHBondContact OD1-N 2.87Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å; N65-S67 PolarHBondContact OD1-OG 2.91Å
68	S	95.6	Very high	95.9	Very high	38 Å²	38	45.5 Å²	45.5	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.6	175.3	74.4	0	0	0	0	113.7	N65 K66 T70	N65-S68 PolarHBondContact ND2-OG 3.34Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.99Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 3.27Å; S68-T70 VanDerWaalsContact OG-CB 3.29Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.99Å
69	S	96.1	Very high	95.8	Very high	40 Å²	40	45 Å²	45	28%	0.28	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	43.5	-172.9	-63.1	0	0	0	0	113.2	A16 F21 N65 K66	A16-S69 PolarHBondContact N-O 2.8Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; N65-S69 PolarHBondContact O-N 3.14Å; N65-S69 VanDerWaalsContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.03Å; K66-S69 VanDerWaalsContact O-N 3.11Å
70	T	97.3	Very high	95.5	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.9	-173.2	-46.4	0	0	0	0	111	C14 K15 N65 S68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.25Å; K15-T70 HydrophobicContact CB-CG2 4.4Å; N65-T70 PolarHBondContact N-O 2.85Å; N65-T70 PolarHBondContact O-N 3.14Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 3.27Å; S68-T70 VanDerWaalsContact OG-CB 3.29Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.47Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.83Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å
71	A	97.6	Very high	95	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	153.9	167.3	0	0	0	0	0	110.3	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.58Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; C14-A71 PolarHBondContact N-O 3.16Å; C14-A71 PolarHBondContact O-N 3.49Å; F21-A71 HydrophobicContact CZ-CB 4.11Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.56Å; W28-A71 HydrophobicContact CZ2-CB 4.31Å; I43-A71 HydrophobicContact CG2-CB 4.38Å; T63-A71 CarbonylContact O-C 3.6Å; T63-A71 WeakPolarHBondContact O-CA 3.48Å
72	Y	97.9	Very high	94.7	Very high	56 Å²	56	53.3 Å²	53.3	22%	0.22	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.6	177.4	-54.1	-94	0	0	0	110.5	T12 L62 T63 N65 T70	T12-Y72 WeakPolarHBondContact O-CA 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; T63-Y72 PolarHBondContact N-O 2.92Å; T63-Y72 PolarHBondContact O-N 2.9Å; N65-Y72 HydrophobicContact CB-CE2 4.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.47Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.83Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å
73	M	97.8	Very high	94.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.2	167.6	175.2	-174.8	68.6	0	0	108.5	T12 W28 I40 T61 L62 L75 Y86	T12-M73 PolarHBondContact N-O 3.04Å; T12-M73 PolarHBondContact O-N 2.83Å; T12-M73 WeakPolarHBondContact OG1-CE 3.4Å; T12-M73 PolarHBondContact OG1-O 2.88Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.57Å; W28-M73 HydrophobicContact CD2-CE 4.39Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4.03Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.75Å; W28-M73 HydrophobicContact CE3-SD 4Å; W28-M73 HydrophobicContact CG-CB 4.1Å; W28-M73 HydrophobicContact CG-SD 4.01Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.18Å; I40-M73 HydrophobicContact CD1-CE 4.25Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 4.12Å; T61-M73 WeakPolarHBondContact O-CA 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.42Å; M73-L75 HydrophobicContact CE-CD1 3.73Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.26Å; M73-L75 HydrophobicContact SD-CD1 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.13Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.12Å
74	E	97.3	Very high	94.3	Very high	57 Å²	57	52.8 Å²	52.8	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.7	167.7	-176.3	-176.1	-143.9	0	0	108.9	V10 A60 T61 R76	V10-E74 CarbonylContact O-C 3.5Å; V10-E74 VanDerWaalsContact O-CA 3.27Å; V10-E74 WeakPolarHBondContact O-CA 3.48Å; A60-E74 CarbonylContact C-O 3.44Å; A60-E74 WeakPolarHBondContact CA-O 3.36Å; T61-E74 PolarHBondContact N-O 2.9Å; T61-E74 PolarHBondContact O-N 3.49Å; E74-R76 HydrophobicContact CG-CG 4.23Å; E74-R76 IonicContact OE2-CZ 3.38Å; E74-R76 IonicContact OE2-NE 3.06Å; E74-R76 PolarHBondContact OE2-NE 3.13Å; E74-R76 IonicContact OE2-NH2 2.81Å; E74-R76 PolarHBondContact OE2-NH2 2.88Å
75	L	95.6	Very high	94.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.2	169.3	-63	163.4	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.4Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.81Å; V10-L75 PolarHBondContact O-N 2.76Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; A60-L75 HydrophobicContact CB-CD2 3.84Å; M73-L75 HydrophobicContact CE-CD1 3.73Å; M73-L75 HydrophobicContact CE-CD2 4.39Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.26Å; M73-L75 HydrophobicContact SD-CD1 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.03Å; M73-L75 HydrophobicContact SD-CG 4.13Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å
76	R	94.7	Very high	94.2	Very high	107 Å²	107	49.7 Å²	49.7	40%	0.404	28%	0.28	S	S	.	.			trans	-110.5	155.3	-176.3	-59.2	-178.5	178.7	175.6	-0.3	111.5	K59 E74 L78	K59-R76 WeakPolarHBondContact CG-O 3.13Å; K59-R76 PolarHBondContact O-N 3.05Å; E74-R76 HydrophobicContact CG-CG 4.23Å; E74-R76 IonicContact OE2-CZ 3.38Å; E74-R76 IonicContact OE2-NE 3.06Å; E74-R76 PolarHBondContact OE2-NE 3.13Å; E74-R76 IonicContact OE2-NH2 2.81Å; E74-R76 PolarHBondContact OE2-NH2 2.88Å; R76-L78 VanDerWaalsContact C-N 3.34Å; R76-L78 PolarHBondContact O-N 2.92Å
77	S	92.7	Very high	94.4	Very high	83 Å²	83	46.7 Å²	46.7	58%	0.58	27%	0.266	S	S	*	.	S	Bend	trans	52.1	52	173.9	-53.7	0	0	0	0	112.2	A8	A8-S77 PolarHBondContact O-N 3.19Å
78	L	91.7	Very high	94.5	Very high	7 Å²	7	42 Å²	42	4%	0.037	23%	0.233	C	C	.	.			trans	-63	139.9	-173.9	-70.6	170.2	0	0	0	112	V4 P6 G7 A8 V10 L75 R76 D82 V109	V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.29Å; G7-L78 PolarHBondContact N-O 2.62Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.38Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 3.79Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; R76-L78 VanDerWaalsContact C-N 3.34Å; R76-L78 PolarHBondContact O-N 2.92Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V109 HydrophobicContact CD1-CG1 4.24Å
79	T	91.2	Very high	94.5	Very high	64 Å²	64	40.3 Å²	40.3	39%	0.393	22%	0.222	S	C	.	.			trans	-116.9	169.8	172.9	67.8	0	0	0	0	109.7	E81 D82	T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 3.03Å
80	S	88.1	Confident	94.3	Very high	106 Å²	106	38.5 Å²	38.5	74%	0.741	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-57.5	-27.5	174.8	49.9	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 3.07Å; S80-S83 PolarHBondContact O-N 2.89Å
81	E	87.8	Confident	93.9	Very high	152 Å²	152	42.1 Å²	42.1	71%	0.71	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-70.2	-18	177	-59.3	-177.6	169.5	0	0	113.3	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 3.1Å; T79-E81 PolarHBondContact O-N 2.85Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-E81 PolarHBondContact OG1-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	91.1	Very high	93.3	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.048	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13	175.6	-61.3	-51	0	0	0	113.1	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.86Å; K59-D82 WeakPolarHBondContact CE-OD1 3.07Å; K59-D82 WeakPolarHBondContact CE-OD2 2.87Å; K59-D82 IonicContact NZ-OD1 2.77Å; K59-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 IonicContact NZ-OD2 2.57Å; K59-D82 PolarHBondContact NZ-OD2 2.78Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.96Å; T79-D82 PolarHBondContact OG1-OD2 3.03Å; S80-D82 PolarHBondContact O-N 3.07Å; D82-A84 WeakPolarHBondContact O-CB 3.31Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.39Å
83	S	92.4	Very high	92.3	Very high	58 Å²	58	43.8 Å²	43.8	41%	0.406	23%	0.231	S	C	.	.			trans	-63.5	115.7	179.2	-169.1	0	0	0	0	110.8	S80 E81 V109	S80-S83 PolarHBondContact O-N 2.89Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V109 VanDerWaalsContact CA-O 3.25Å; S83-V109 WeakPolarHBondContact CA-O 3.42Å; S83-V109 PolarHBondContact OG-O 3.43Å
84	A	94.6	Very high	91.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-169.7	165.3	-167.9	0	0	0	0	0	110.9	K30 Q31 D82 Y86 V109	K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 VanDerWaalsContact CE-CB 3.47Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.3Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; D82-A84 WeakPolarHBondContact O-CB 3.31Å; D82-A84 PolarHBondContact O-N 2.93Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; A84-V109 PolarHBondContact N-O 2.64Å; A84-V109 VanDerWaalsContact N-O 3.11Å; A84-V109 PolarHBondContact O-N 2.81Å; A84-V109 VanDerWaalsContact O-N 3.12Å
85	V	95.8	Very high	89.5	Confident	34 Å²	34	53.3 Å²	53.3	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.2	165.3	-171.7	0	0	0	0	108.8	Q31 Y87 T107 L108	Q31-V85 PolarHBondContact N-O 3Å; Q31-V85 PolarHBondContact O-N 3.06Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.81Å; V85-Y87 HydrophobicContact CG1-CE2 3.61Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å; V85-T107 WeakPolarHBondContact CA-O 3.01Å; V85-L108 HydrophobicContact CG2-CD1 4.32Å
86	Y	96.4	Very high	87.8	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.4	178.5	-71	-90.8	0	0	0	110.2	V29 K30 I40 M73 L75 D82 A84 G106 T107 V109	V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 4.04Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.62Å; I40-Y86 HydrophobicContact CD1-CE1 3.67Å; M73-Y86 HydrophobicContact CE-CD1 3.62Å; M73-Y86 HydrophobicContact CE-CE1 4.2Å; M73-Y86 HydrophobicContact CE-CG 4.12Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.39Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y86-G106 CarbonylContact O-C 3.51Å; Y86-G106 WeakPolarHBondContact O-CA 3.19Å; Y86-T107 PolarHBondContact N-O 2.88Å; Y86-T107 PolarHBondContact O-N 2.88Å; Y86-V109 HydrophobicContact CD2-CB 3.77Å; Y86-V109 HydrophobicContact CD2-CG2 3.76Å; Y86-V109 HydrophobicContact CE2-CB 3.76Å; Y86-V109 HydrophobicContact CE2-CG1 4.33Å; Y86-V109 HydrophobicContact CE2-CG2 4.21Å
87	Y	96.8	Very high	86.1	Confident	45 Å²	45	65 Å²	65	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.4	-179.3	-56.2	-88.8	0	0	0	110.2	W28 V29 Q31 L37 V85 W103	W28-Y87 WeakPolarHBondContact CA-O 3.47Å; V29-Y87 PolarHBondContact N-O 3.28Å; V29-Y87 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.7Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å; L37-Y87 HydrophobicContact CD2-CD2 4.47Å; L37-Y87 HydrophobicContact CD2-CE2 4.35Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.47Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.81Å; V85-Y87 HydrophobicContact CG1-CE2 3.61Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å; Y87-W103 HydrophobicContact CG-CE3 4.26Å; Y87-W103 HydrophobicContact CG-CZ3 4.24Å
88	C	96.3	Very high	84.6	Confident	15 Å²	15	68.5 Å²	68.5	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148.6	160.4	61.2	0	0	0	0	109.7	C14 M26 H27 W28 G104	C14-C88 HydrophobicContact CB-CB 3.39Å; C14-C88 WeakPolarHBondContact CB-SG 3.28Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.36Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å; C88-G104 PolarHBondContact O-N 3.31Å
89	A	94.9	Very high	83.5	Confident	2 Å²	2	70 Å²	70	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.4	178.5	0	0	0	0	0	111.7	H27 F100 Y102 W103	H27-A89 HydrophobicContact CB-CB 4.43Å; H27-A89 PolarHBondContact N-O 3.02Å; H27-A89 PolarHBondContact O-N 2.87Å; A89-F100 HydrophobicContact CB-CB 4.01Å; A89-F100 HydrophobicContact CB-CD1 3.76Å; A89-F100 HydrophobicContact CB-CD2 4.49Å; A89-F100 HydrophobicContact CB-CE1 4.43Å; A89-F100 HydrophobicContact CB-CG 3.82Å; A89-Y102 CarbonylContact C-O 3.56Å; A89-Y102 WeakPolarHBondContact CA-O 3.34Å; A89-Y102 WeakPolarHBondContact CB-O 3.38Å; A89-W103 HydrophobicContact CB-CD2 3.87Å; A89-W103 HydrophobicContact CB-CE3 3.99Å; A89-W103 HydrophobicContact CB-CG 4.36Å; A89-W103 HydrophobicContact CB-CH2 4.43Å; A89-W103 HydrophobicContact CB-CZ2 4.34Å; A89-W103 HydrophobicContact CB-CZ3 4.27Å
90	G	92.4	Very high	82.8	Confident	2 Å²	2	70.2 Å²	70.2	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.7	177.9	0	0	0	0	0	111.6	N25 F100 A101 Y102	N25-G90 WeakPolarHBondContact O-CA 3.31Å; G90-F100 CarbonylContact O-C 3.5Å; G90-A101 PolarHBondContact O-N 2.81Å; G90-Y102 PolarHBondContact N-O 2.8Å; G90-Y102 PolarHBondContact O-N 2.97Å
91	R	88.9	Confident	82.4	Confident	85 Å²	85	67.5 Å²	67.5	32%	0.321	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122	169.5	-180	173.8	173.3	168.8	-0.7	110.6	Y24 N25 E98 F100	Y24-R91 CarbonylContact C-O 3.58Å; Y24-R91 VanDerWaalsContact CA-O 3.26Å; Y24-R91 WeakPolarHBondContact CA-O 3.17Å; N25-R91 PolarHBondContact N-O 2.78Å; N25-R91 PolarHBondContact O-N 3.38Å; R91-E98 VanDerWaalsContact CZ-O 3.29Å; R91-E98 PolarHBondContact NH1-O 3.25Å; R91-E98 VanDerWaalsContact NH1-O 3.11Å; R91-F100 HydrophobicContact CB-CD1 4.07Å; R91-F100 HydrophobicContact CB-CE1 4.39Å
92	G	85.8	Confident	82.4	Confident	8 Å²	8	65.1 Å²	65.1	8%	0.082	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	149.4	-177.3	0	0	0	0	0	112.3	Y24 Y94	Y24-G92 VanDerWaalsContact CE1-CA 3.5Å; G92-Y94 VanDerWaalsContact C-N 3.34Å
93	Y	74.9	Confident	82.5	Confident	83 Å²	83	70.2 Å²	70.2	33%	0.325	33%	0.334	S	S	.	.	S	Bend	trans	-70.6	-32.8	173.5	-66.8	-64	0	0	0	113.2	T22 D23 N25 N44	T22-Y93 WeakPolarHBondContact O-CE2 3.18Å; D23-Y93 VanDerWaalsContact C-CE2 3.43Å; D23-Y93 WeakPolarHBondContact O-CD2 3.31Å; D23-Y93 PolarHBondContact O-N 3Å; N25-Y93 WeakPolarHBondContact ND2-CE1 3.09Å; N25-Y93 WeakPolarHBondContact OD1-CE1 3.48Å; N25-Y93 PolarHBondContact OD1-OH 3.12Å; N44-Y93 PolarHBondContact ND2-OH 2.82Å; N44-Y93 PolarHBondContact OD1-OH 3.4Å
94	Y	74.1	Confident	82.6	Confident	183 Å²	183	68.7 Å²	68.7	72%	0.718	33%	0.327	S	S	*	.	S	Bend	trans	-98.8	0.8	-172.7	-55.2	-71.5	0	0	0	112.8	G92 Y96	G92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-Y96 PolarHBondContact O-N 3.11Å
95	D	63.9	Low	82.5	Confident	73 Å²	73	77.6 Å²	77.6	39%	0.39	37%	0.369	S	S	.	.			trans	-81.6	115.6	-179.9	-144.3	-16.5	0	0	0	108.9	D97	D95-D97 PolarHBondContact O-N 3.16Å
96	Y	59.9	Low	82.4	Confident	227 Å²	227	77.5 Å²	77.5	89%	0.89	38%	0.375	S	S	*	.			trans	-76.1	-12.4	176.8	-67	-81.1	0	0	0	111.8	Y94	Y94-Y96 PolarHBondContact O-N 3.11Å
97	D	58.4	Low	82.2	Confident	125 Å²	125	79.7 Å²	79.7	67%	0.668	39%	0.389	S	S	*	.	S	Bend	trans	-83	121	171.5	-138.1	-24.3	0	0	0	108.8	D95 G99	D95-D97 PolarHBondContact O-N 3.16Å; D97-G99 PolarHBondContact O-N 2.88Å
98	E	60.9	Low	82.1	Confident	157 Å²	157	81.1 Å²	81.1	73%	0.734	40%	0.399	S	S	*	.			trans	-72.3	4.5	-166.9	-62.8	-165.1	160.7	0	0	114.7	R91	R91-E98 VanDerWaalsContact CZ-O 3.29Å; R91-E98 PolarHBondContact NH1-O 3.25Å; R91-E98 VanDerWaalsContact NH1-O 3.11Å
99	G	68.4	Low	81.7	Confident	40 Å²	40	81.4 Å²	81.4	41%	0.412	40%	0.4	S	S	.	.	S	Bend	trans	-85.5	167.3	-172	0	0	0	0	0	115.7	D97 A101	D97-G99 PolarHBondContact O-N 2.88Å; G99-A101 PolarHBondContact O-N 3.45Å
100	F	77.3	Confident	81	Confident	68 Å²	68	85.4 Å²	85.4	30%	0.298	42%	0.419	S	S	.	.			trans	-79.7	106.7	166.1	-67.4	-60.4	0	0	0	109.3	H27 A89 G90 R91 Y102 W103	H27-F100 HydrophobicContact CB-CD1 4.34Å; H27-F100 HydrophobicContact CB-CE1 3.62Å; H27-F100 HydrophobicContact CB-CZ 4.13Å; H27-F100 AromaticContact CD2-CE1 3.58Å; H27-F100 AromaticContact CE1-CE1 3.86Å; H27-F100 AromaticContact CG-CE1 3.29Å; H27-F100 AromaticContact CG-CZ 3.97Å; H27-F100 AromaticContact ND1-CE1 3.47Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.18Å; H27-F100 AromaticContact ND1-CZ 3.81Å; H27-F100 AromaticContact NE2-CE1 3.94Å; A89-F100 HydrophobicContact CB-CB 4.01Å; A89-F100 HydrophobicContact CB-CD1 3.76Å; A89-F100 HydrophobicContact CB-CD2 4.49Å; A89-F100 HydrophobicContact CB-CE1 4.43Å; A89-F100 HydrophobicContact CB-CG 3.82Å; G90-F100 CarbonylContact O-C 3.5Å; R91-F100 HydrophobicContact CB-CD1 4.07Å; R91-F100 HydrophobicContact CB-CE1 4.39Å; F100-Y102 VanDerWaalsContact C-N 3.3Å; F100-Y102 PolarHBondContact O-N 3.37Å; F100-W103 HydrophobicContact CB-CZ2 4.08Å; F100-W103 VanDerWaalsContact CB-NE1 3.33Å; F100-W103 HydrophobicContact CD2-CH2 4.2Å; F100-W103 AromaticContact CD2-CZ2 3.46Å; F100-W103 HydrophobicContact CD2-CZ2 3.46Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.46Å; F100-W103 HydrophobicContact CE2-CZ2 4.21Å; F100-W103 HydrophobicContact CG-CZ2 4.02Å
101	A	79.6	Confident	80.4	Confident	48 Å²	48	89.7 Å²	89.7	40%	0.397	44%	0.44	S	S	.	.	S	Bend	trans	-66.5	-30.5	-177.9	0	0	0	0	0	113.1	Y24 G90 G99	Y24-A101 HydrophobicContact CE1-CB 4.4Å; G90-A101 PolarHBondContact O-N 2.81Å; G99-A101 PolarHBondContact O-N 3.45Å
102	Y	87.6	Confident	79.9	Confident	103 Å²	103	90 Å²	90	40%	0.404	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.1	-177.3	-57.9	-79.2	0	0	0	111.2	Y19 Y24 A89 G90 F100	Y19-Y102 HydrophobicContact CD1-CD2 4.11Å; Y19-Y102 HydrophobicContact CD1-CE1 4.5Å; Y19-Y102 HydrophobicContact CD1-CE2 4.01Å; Y19-Y102 HydrophobicContact CD1-CG 4.41Å; Y19-Y102 AromaticContact CE1-CD2 3.98Å; Y19-Y102 HydrophobicContact CE1-CD2 3.98Å; Y19-Y102 HydrophobicContact CE1-CE2 4.36Å; Y19-Y102 HydrophobicContact CE1-CG 4.09Å; Y19-Y102 HydrophobicContact CG-CE2 4.38Å; Y24-Y102 HydrophobicContact CD1-CD2 4.26Å; Y24-Y102 HydrophobicContact CD1-CE2 4.37Å; Y24-Y102 AromaticContact CE1-CD2 3.84Å; Y24-Y102 HydrophobicContact CE1-CD2 3.84Å; Y24-Y102 AromaticContact CE1-CE2 3.55Å; Y24-Y102 HydrophobicContact CE1-CE2 3.55Å; Y24-Y102 AromaticContact CZ-CE2 3.82Å; A89-Y102 CarbonylContact C-O 3.56Å; A89-Y102 WeakPolarHBondContact CA-O 3.34Å; A89-Y102 WeakPolarHBondContact CB-O 3.38Å; G90-Y102 PolarHBondContact N-O 2.8Å; G90-Y102 PolarHBondContact O-N 2.97Å; F100-Y102 VanDerWaalsContact C-N 3.3Å; F100-Y102 PolarHBondContact O-N 3.37Å
103	W	93.4	Very high	79.6	Confident	115 Å²	115	94.8 Å²	94.8	44%	0.436	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.5	173.4	-74.6	81.9	0	0	0	110.9	V29 L37 Y87 A89 F100	V29-W103 HydrophobicContact CB-CH2 4.28Å; V29-W103 HydrophobicContact CB-CZ3 4.06Å; V29-W103 HydrophobicContact CG1-CH2 4.25Å; V29-W103 HydrophobicContact CG1-CZ3 4.3Å; V29-W103 HydrophobicContact CG2-CH2 3.9Å; V29-W103 HydrophobicContact CG2-CZ3 4.02Å; L37-W103 HydrophobicContact CD1-CH2 3.91Å; L37-W103 HydrophobicContact CD1-CZ3 4.48Å; Y87-W103 HydrophobicContact CG-CE3 4.26Å; Y87-W103 HydrophobicContact CG-CZ3 4.24Å; A89-W103 HydrophobicContact CB-CD2 3.87Å; A89-W103 HydrophobicContact CB-CE3 3.99Å; A89-W103 HydrophobicContact CB-CG 4.36Å; A89-W103 HydrophobicContact CB-CH2 4.43Å; A89-W103 HydrophobicContact CB-CZ2 4.34Å; A89-W103 HydrophobicContact CB-CZ3 4.27Å; F100-W103 HydrophobicContact CB-CZ2 4.08Å; F100-W103 VanDerWaalsContact CB-NE1 3.33Å; F100-W103 HydrophobicContact CD2-CH2 4.2Å; F100-W103 AromaticContact CD2-CZ2 3.46Å; F100-W103 HydrophobicContact CD2-CZ2 3.46Å; F100-W103 VanDerWaalsContact CD2-CZ2 3.46Å; F100-W103 HydrophobicContact CE2-CZ2 4.21Å; F100-W103 HydrophobicContact CG-CZ2 4.02Å
104	G	93.6	Very high	79.9	Confident	26 Å²	26	95.6 Å²	95.6	27%	0.268	48%	0.477	S	S	.	.			trans	-73.6	160.8	165.8	0	0	0	0	0	111.6	C88 G106	C88-G104 PolarHBondContact O-N 3.31Å; G104-G106 PolarHBondContact O-N 3.13Å; G104-G106 VanDerWaalsContact O-N 3.12Å
105	Q	93.2	Very high	80.3	Confident	188 Å²	188	89.7 Å²	89.7	88%	0.879	46%	0.461	S	S	*	.			trans	-65.4	-14	179.2	-65.4	-63.5	-39	0	0	114
106	G	92.9	Very high	81.4	Confident	32 Å²	32	90.9 Å²	90.9	33%	0.33	47%	0.466	S	S	.	.			trans	83.7	156.4	-176.5	0	0	0	0	0	113	Y86 G104	Y86-G106 CarbonylContact O-C 3.51Å; Y86-G106 WeakPolarHBondContact O-CA 3.19Å; G104-G106 PolarHBondContact O-N 3.13Å; G104-G106 VanDerWaalsContact O-N 3.12Å
107	T	93.7	Very high	83.1	Confident	48 Å²	48	80.5 Å²	80.5	29%	0.294	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.8	172.3	-173.6	0	0	0	0	110.4	T12 V85 Y86 V109	T12-T107 HydrophobicContact CG2-CG2 3.83Å; V85-T107 WeakPolarHBondContact CA-O 3.01Å; Y86-T107 PolarHBondContact N-O 2.88Å; Y86-T107 PolarHBondContact O-N 2.88Å; T107-V109 HydrophobicContact CG2-CG2 4.34Å
108	L	92.9	Very high	85.1	Confident	75 Å²	75	76.8 Å²	76.8	39%	0.393	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.5	170.6	-177.7	66.5	0	0	0	109.3	P1 E2 V85	P1-L108 VanDerWaalsContact CA-O 3.31Å; P1-L108 WeakPolarHBondContact CA-O 3.3Å; P1-L108 HydrophobicContact CB-CB 4.34Å; P1-L108 HydrophobicContact CB-CD2 4.49Å; E2-L108 PolarHBondContact N-O 3.24Å; V85-L108 HydrophobicContact CG2-CD1 4.32Å
109	V	88.1	Confident	87.4	Confident	21 Å²	21	69.5 Å²	69.5	13%	0.127	39%	0.385	C	S	.	.			trans	-117	0	169.8	175.1	0	0	0	0	108	V4 V10 T12 L78 S83 A84 Y86 T107	V4-V109 HydrophobicContact CG2-CG1 4.3Å; V10-V109 HydrophobicContact CB-CG1 4.34Å; V10-V109 HydrophobicContact CG1-CG1 3.79Å; V10-V109 HydrophobicContact CG1-CG2 4.39Å; V10-V109 HydrophobicContact CG2-CG1 4.32Å; V10-V109 HydrophobicContact CG2-CG2 4.49Å; T12-V109 HydrophobicContact CG2-CG2 4.04Å; L78-V109 HydrophobicContact CD1-CG1 4.24Å; S83-V109 VanDerWaalsContact CA-O 3.25Å; S83-V109 WeakPolarHBondContact CA-O 3.42Å; S83-V109 PolarHBondContact OG-O 3.43Å; A84-V109 PolarHBondContact N-O 2.64Å; A84-V109 VanDerWaalsContact N-O 3.11Å; A84-V109 PolarHBondContact O-N 2.81Å; A84-V109 VanDerWaalsContact O-N 3.12Å; Y86-V109 HydrophobicContact CD2-CB 3.77Å; Y86-V109 HydrophobicContact CD2-CG2 3.76Å; Y86-V109 HydrophobicContact CE2-CB 3.76Å; Y86-V109 HydrophobicContact CE2-CG1 4.33Å; Y86-V109 HydrophobicContact CE2-CG2 4.21Å; T107-V109 HydrophobicContact CG2-CG2 4.34Å

Retrieved 109 of 109 residues in 30.2 ms (Link to these results)

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