X5J5S0_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J5S0_MOUSE|X5J5S0
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGEINPSNDGTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCTRGGYGSSYWYFDV
					

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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	A	68.4	Low	88.2	Confident	158 Å²	158	100.1 Å²	100.1	100%	1.306	60%	0.6	S	S	*	*				0	132.3	0	0	0	0	0	0	107.7
2	E	79.2	Confident	88.9	Confident	125 Å²	125	94.9 Å²	94.9	58%	0.584	57%	0.567	S	S	*	*			trans	-111.8	129.6	-177.8	-164	176.5	161.8	0	0	109.2	V4 V10	E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.41Å
3	L	85	Confident	89.5	Confident	178 Å²	178	93 Å²	93	93%	0.932	56%	0.561	S	S	*	*			trans	-108.6	118.5	176	-67.7	174.8	0	0	0	108.2
4	V	88.2	Confident	90	Very high	59 Å²	59	86.4 Å²	86.4	36%	0.358	52%	0.521	S	S	.	.			trans	-123.8	150.8	-175.7	-64.7	0	0	0	0	110.4	E2 A8 L78	E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.41Å; V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å
5	K	88.1	Confident	90.4	Very high	176 Å²	176	89.7 Å²	89.7	77%	0.765	53%	0.525	S	S	*	.			trans	-71.4	147.6	176.7	-64.7	-178.3	-177.7	178.6	0	109.9	G7 A8	K5-G7 PolarHBondContact O-N 3.28Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.09Å
6	P	89.6	Confident	90.6	Very high	120 Å²	120	84.6 Å²	84.6	78%	0.779	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	141.1	168.9	-25	34.4	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.27Å
7	G	90.9	Very high	90.5	Very high	52 Å²	52	85.6 Å²	85.6	54%	0.536	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-10.6	-175.9	0	0	0	0	0	114.8	K5 L78	K5-G7 PolarHBondContact O-N 3.28Å; G7-L78 PolarHBondContact N-O 2.86Å
8	A	94	Very high	90.5	Very high	34 Å²	34	85.8 Å²	85.8	28%	0.281	53%	0.532	S	S	.	.			trans	-71.1	168.1	174.1	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.41Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.01Å; K5-A8 VanDerWaalsContact O-N 3.09Å; P6-A8 PolarHBondContact O-N 3.27Å; A8-S77 PolarHBondContact O-N 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.48Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 3.13Å
9	S	95.1	Very high	90.5	Very high	64 Å²	64	83.5 Å²	83.5	45%	0.448	51%	0.513	S	S	.	.			trans	-112	146.5	171	-58.4	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.17Å; S9-S76 WeakPolarHBondContact OG-CA 3.35Å
10	V	95.4	Very high	90.7	Very high	15 Å²	15	83.8 Å²	83.8	9%	0.091	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.9	174.7	68.8	0	0	0	0	109.9	E2 L12 Q74 L75 L78	E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.41Å; V10-L12 HydrophobicContact CG2-CD2 4.19Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.44Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.25Å; V10-L75 PolarHBondContact O-N 3.02Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å
11	K	96.4	Very high	90.8	Very high	120 Å²	120	80 Å²	80	52%	0.522	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.6	173	-174.6	178.1	179	-178.2	0	109.2	Y72	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å
12	L	96.4	Very high	92.1	Very high	38 Å²	38	75.4 Å²	75.4	20%	0.199	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146.8	174.4	-57.8	176.3	0	0	0	109.7	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.19Å; L12-W28 HydrophobicContact CB-CH2 3.96Å; L12-W28 HydrophobicContact CB-CZ3 3.86Å; L12-W28 HydrophobicContact CD1-CZ3 4.4Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; L12-Y72 WeakPolarHBondContact O-CB 3.43Å; L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 2.81Å; L12-Y86 HydrophobicContact CD1-CD1 4.26Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å
13	S	97	Very high	92.7	Very high	70 Å²	70	73.1 Å²	73.1	49%	0.49	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.2	177.4	59.3	0	0	0	0	110.3	A71	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å
14	C	96.9	Very high	93	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.8	175.3	174.4	0	0	0	0	108.7	W28 T70 A71 C88 D101	C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; C14-T70 WeakPolarHBondContact O-CG2 3.39Å; C14-A71 HydrophobicContact CB-CB 4.47Å; C14-A71 PolarHBondContact N-O 2.82Å; C14-A71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.41Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3Å; C14-D101 VanDerWaalsContact SG-CB 3.58Å
15	K	95.8	Very high	93.3	Very high	136 Å²	136	67.3 Å²	67.3	59%	0.591	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.2	-173.9	-174.1	175	-178.1	178.4	0	110.4	V102	K15-V102 PolarHBondContact N-O 2.96Å
16	A	92.8	Very high	93.7	Very high	9 Å²	9	58.9 Å²	58.9	7%	0.074	37%	0.368	C	S	.	.			trans	-67.9	140.4	173.8	0	0	0	0	0	111.7	Y19 F21 S69	A16-Y19 WeakPolarHBondContact CA-OH 3.46Å; A16-Y19 HydrophobicContact CB-CE1 3.88Å; A16-Y19 HydrophobicContact CB-CE2 3.77Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-S69 WeakPolarHBondContact CB-O 3.11Å; A16-S69 PolarHBondContact N-O 3.33Å
17	S	90	Very high	94	Very high	101 Å²	101	53.6 Å²	53.6	71%	0.706	33%	0.333	S	S	*	.			trans	-145.1	131.9	179.2	176.7	0	0	0	0	110.5	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.3Å
18	G	90.6	Very high	94.3	Very high	89 Å²	89	51.4 Å²	51.4	92%	0.918	31%	0.308	S	S	*	.	S	Bend	trans	79.7	12.5	174.1	0	0	0	0	0	115.7
19	Y	90.2	Very high	94.3	Very high	43 Å²	43	50.5 Å²	50.5	17%	0.169	30%	0.299	C	S	.	.	S	Bend	trans	-151.2	164.2	174.8	62.5	-87.4	0	0	0	111.9	A16 S17 F21 Y24 R90 D101	A16-Y19 WeakPolarHBondContact CA-OH 3.46Å; A16-Y19 HydrophobicContact CB-CE1 3.88Å; A16-Y19 HydrophobicContact CB-CE2 3.77Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; S17-Y19 WeakPolarHBondContact O-CD1 3.3Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 2.72Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.75Å; Y19-Y24 HydrophobicContact CD2-CE2 3.75Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CG-CD2 4.34Å; Y19-Y24 HydrophobicContact CG-CE2 4.22Å; Y19-R90 VanDerWaalsContact CE1-CD 3.47Å; Y19-D101 WeakPolarHBondContact CE1-OD1 2.97Å; Y19-D101 PolarHBondContact OH-OD1 3.41Å; Y19-D101 PolarHBondContact OH-OD2 2.63Å; Y19-D101 VanDerWaalsContact OH-OD2 3.05Å
20	T	93.3	Very high	94.4	Very high	88 Å²	88	47.4 Å²	47.4	54%	0.54	28%	0.277	S	S	.	.			trans	-71.8	103.8	173.2	-55	0	0	0	0	109.7	T22 S23	T20-T22 PolarHBondContact O-N 2.87Å; T20-T22 VanDerWaalsContact O-N 3.17Å; T20-S23 WeakPolarHBondContact CB-OG 3.28Å; T20-S23 VanDerWaalsContact CG2-OG 3.32Å; T20-S23 WeakPolarHBondContact CG2-OG 3.21Å; T20-S23 WeakPolarHBondContact O-CB 3.05Å; T20-S23 PolarHBondContact O-N 3.17Å
21	F	93.9	Very high	94.4	Very high	6 Å²	6	50 Å²	50	3%	0.026	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.3	-174.8	179.3	-127.8	0	0	0	113.8	A16 Y19 S23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.02Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.09Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 HydrophobicContact CE2-CD2 4.48Å; Y19-F21 PolarHBondContact O-N 2.72Å; Y19-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 PolarHBondContact O-N 3.47Å; F21-M26 HydrophobicContact CD2-CG 4.36Å; F21-M26 HydrophobicContact CD2-SD 4.15Å; F21-M26 HydrophobicContact CE2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CG 3.6Å; F21-M26 HydrophobicContact CE2-SD 3.82Å; F21-M26 HydrophobicContact CZ-CG 4.26Å; F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.41Å; F21-P45 HydrophobicContact CE2-CG 3.89Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.89Å; F21-P45 HydrophobicContact CZ-CG 3.74Å; F21-V64 HydrophobicContact CE1-CB 4.17Å; F21-V64 HydrophobicContact CE1-CG1 4.27Å; F21-V64 HydrophobicContact CZ-CB 4.27Å; F21-V64 HydrophobicContact CZ-CG1 3.94Å; F21-A71 HydrophobicContact CE2-CB 4.31Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22	T	94.6	Very high	94.2	Very high	60 Å²	60	46.8 Å²	46.8	37%	0.368	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-74.1	-6.8	-179	54	0	0	0	0	114.5	T20 P45	T20-T22 PolarHBondContact O-N 2.87Å; T20-T22 VanDerWaalsContact O-N 3.17Å; T22-P45 HydrophobicContact CG2-CB 4.47Å
23	S	92.3	Very high	94	Very high	77 Å²	77	50.9 Å²	50.9	54%	0.538	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-88	-5.3	178.8	-57.8	0	0	0	0	113.9	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.28Å; T20-S23 VanDerWaalsContact CG2-OG 3.32Å; T20-S23 WeakPolarHBondContact CG2-OG 3.21Å; T20-S23 WeakPolarHBondContact O-CB 3.05Å; T20-S23 PolarHBondContact O-N 3.17Å; F21-S23 PolarHBondContact O-N 3.47Å
24	Y	92.5	Very high	93.7	Very high	69 Å²	69	51.9 Å²	51.9	27%	0.271	32%	0.324	S	S	.	.	S	Bend	trans	-130.7	147.8	-175.2	-64.3	-87.6	0	0	0	111.6	Y19 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.75Å; Y19-Y24 HydrophobicContact CD2-CE2 3.75Å; Y19-Y24 HydrophobicContact CD2-CG 4.41Å; Y19-Y24 AromaticContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CE2-CD2 3.92Å; Y19-Y24 HydrophobicContact CG-CD2 4.34Å; Y19-Y24 HydrophobicContact CG-CE2 4.22Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-R90 HydrophobicContact CG-CB 4.42Å
25	W	94.2	Very high	93.4	Very high	46 Å²	46	56.5 Å²	56.5	17%	0.174	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.9	164.8	-70.3	68.7	0	0	0	109	H27 E42 N44 R90 G91	W25-H27 WeakPolarHBondContact CB-NE2 3.39Å; W25-H27 PolarHBondContact O-CD2 3.16Å; W25-E42 HydrophobicContact CE3-CB 4.11Å; W25-E42 HydrophobicContact CE3-CG 3.55Å; W25-E42 HydrophobicContact CZ3-CG 3.79Å; W25-E42 VanDerWaalsContact CZ3-OE1 3.32Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.47Å; W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 HydrophobicContact CE3-CB 3.79Å; W25-N44 HydrophobicContact CG-CB 4.4Å; W25-N44 HydrophobicContact CH2-CB 3.89Å; W25-N44 HydrophobicContact CZ2-CB 3.79Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; W25-R90 VanDerWaalsContact O-CA 3.28Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; W25-G91 PolarHBondContact N-O 3.41Å; W25-G91 PolarHBondContact O-N 3.14Å; W25-G91 VanDerWaalsContact O-N 3.09Å
26	M	95.4	Very high	93.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.8	176.4	-59.6	-58.7	-54.6	0	0	108.8	F21 E42 I43 P45 A71 R90 D101	F21-M26 HydrophobicContact CD2-CG 4.36Å; F21-M26 HydrophobicContact CD2-SD 4.15Å; F21-M26 HydrophobicContact CE2-CE 4.49Å; F21-M26 HydrophobicContact CE2-CG 3.6Å; F21-M26 HydrophobicContact CE2-SD 3.82Å; F21-M26 HydrophobicContact CZ-CG 4.26Å; M26-E42 CarbonylContact O-C 3.53Å; M26-E42 WeakPolarHBondContact O-CA 3.28Å; M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.26Å; M26-I43 PolarHBondContact O-N 2.8Å; M26-P45 HydrophobicContact CG-CG 3.81Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 4.08Å; M26-R90 HydrophobicContact CE-CB 4.36Å; M26-R90 HydrophobicContact SD-CB 3.91Å; M26-D101 HydrophobicContact CE-CB 4.34Å
27	H	95.6	Very high	93.2	Very high	9 Å²	9	57 Å²	57	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.1	-175.4	-56.2	-113.1	0	0	0	109.1	W25 W39 G41 E42 C88 T89 W98	W25-H27 WeakPolarHBondContact CB-NE2 3.39Å; W25-H27 PolarHBondContact O-CD2 3.16Å; H27-W39 AromaticContact ND1-NE1 3.48Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; H27-G41 WeakPolarHBondContact CA-O 3.48Å; H27-E42 HydrophobicContact CB-CB 4.46Å; H27-E42 IonicContact CE1-OE2 2.79Å; H27-E42 PolarHBondContact CE1-OE2 3.01Å; H27-E42 IonicContact ND1-OE2 3.81Å; H27-E42 PolarHBondContact ND1-OE2 2.81Å; H27-E42 VanDerWaalsContact ND1-OE2 3.13Å; H27-E42 IonicContact NE2-OE2 3.63Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 2.9Å; H27-T89 WeakPolarHBondContact CB-OG1 3.48Å; H27-T89 PolarHBondContact N-O 3.48Å; H27-T89 PolarHBondContact O-N 3Å; H27-W98 AromaticContact CD2-CZ3 3.4Å; H27-W98 VanDerWaalsContact CD2-CZ3 3.4Å; H27-W98 WeakPolarHBondContact CD2-CZ3 3.39Å; H27-W98 AromaticContact CE1-CH2 3.28Å; H27-W98 WeakPolarHBondContact CE1-CH2 3.3Å; H27-W98 AromaticContact CE1-CZ3 3.26Å; H27-W98 WeakPolarHBondContact CE1-CZ3 3.44Å; H27-W98 AromaticContact CG-CZ3 3.88Å; H27-W98 AromaticContact ND1-CH2 3.89Å; H27-W98 AromaticContact ND1-CZ3 3.78Å; H27-W98 AromaticContact NE2-CH2 3.54Å; H27-W98 AromaticContact NE2-CZ3 3.05Å; H27-W98 WeakPolarHBondContact NE2-CZ3 3.34Å
28	W	97	Very high	93.4	Very high	6 Å²	6	54 Å²	54	2%	0.023	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.2	175	-69.6	89.9	0	0	0	109.8	L12 C14 I40 G41 L62 A71 M73 C88	L12-W28 HydrophobicContact CB-CH2 3.96Å; L12-W28 HydrophobicContact CB-CZ3 3.86Å; L12-W28 HydrophobicContact CD1-CZ3 4.4Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.05Å; W28-I40 PolarHBondContact O-N 3.19Å; W28-G41 PolarHBondContact N-O 3.03Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; W28-M73 HydrophobicContact CB-CE 4.39Å; W28-M73 HydrophobicContact CB-SD 3.77Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.16Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.26Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CE 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.17Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.2Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å
29	V	96	Very high	93.7	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.085	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.5	-175	-172.4	0	0	0	0	109.1	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.68Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.18Å; V29-E38 WeakPolarHBondContact CA-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; V29-Y87 PolarHBondContact N-O 3.36Å; V29-Y87 PolarHBondContact O-N 3.11Å
30	K	95.5	Very high	94	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.4	177	-176.8	-177.3	177.8	-174	0	110.3	E38 I40 F56 E81 D82 A84 V85 Y86	K30-E38 HydrophobicContact CB-CB 4.48Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CB-CG1 4.34Å; K30-F56 HydrophobicContact CD-CE1 4.38Å; K30-F56 HydrophobicContact CD-CZ 4.45Å; K30-E81 PolarHBondContact NZ-O 2.78Å; K30-D82 IonicContact NZ-OD1 3.91Å; K30-A84 HydrophobicContact CD-CB 3.93Å; K30-A84 HydrophobicContact CG-CB 3.34Å; K30-V85 CarbonylContact C-O 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.07Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 HydrophobicContact CG-CD1 4.2Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	95.3	Very high	94.2	Very high	69 Å²	69	47.6 Å²	47.6	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.5	173.4	-167.3	-179.1	30.2	0	0	110.5	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.12Å; Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.53Å
32	R	93.8	Very high	94.3	Very high	52 Å²	52	48.9 Å²	48.9	20%	0.196	29%	0.285	C	S	.	.			trans	-91.7	149.2	168.3	-61.1	-164.8	-170.6	98.1	-4.2	110.4	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.78Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.44Å; R32-E38 IonicContact CZ-OE1 3.96Å; R32-E38 IonicContact NH1-OE1 3.89Å; R32-E38 PolarHBondContact NH1-OE1 2.92Å; R32-E81 VanDerWaalsContact CZ-O 3.27Å; R32-E81 PolarHBondContact NE-O 2.75Å; R32-E81 PolarHBondContact NH2-O 2.8Å; R32-A84 HydrophobicContact CG-CB 4.13Å
33	P	91.1	Very high	94.4	Very high	124 Å²	124	46.2 Å²	46.2	81%	0.805	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	128.5	172	-24.9	34.2	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.99Å
34	G	91.1	Very high	94.5	Very high	92 Å²	92	43.3 Å²	43.3	95%	0.948	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	3.5	-179.3	0	0	0	0	0	115.5	R32	R32-G34 PolarHBondContact O-N 2.78Å
35	Q	90.4	Very high	94.7	Very high	97 Å²	97	40 Å²	40	45%	0.453	23%	0.234	S	C	.	.	S	Bend	trans	-113.9	158.7	174.2	-58.4	-174.1	-3.8	0	0	111	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 3.44Å; P33-Q35 PolarHBondContact O-N 2.99Å
36	G	91.4	Very high	94.7	Very high	55 Å²	55	40.7 Å²	40.7	57%	0.567	25%	0.245	S	C	*	.			trans	-68.5	178.4	172.3	0	0	0	0	0	112.8
37	L	93.2	Very high	94.7	Very high	99 Å²	99	45.6 Å²	45.6	52%	0.518	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.8	172.4	-69.3	172.6	0	0	0	110.2	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.68Å; V29-L37 HydrophobicContact CG1-CD2 3.74Å; V29-L37 HydrophobicContact CG1-CG 4.18Å; Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; L37-Y87 HydrophobicContact CD2-CD2 4.34Å; L37-Y87 HydrophobicContact CD2-CE2 4.41Å
38	E	95.1	Very high	94.7	Very high	40 Å²	40	49 Å²	49	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.3	173.9	-65.7	-167.5	-100	0	0	109.7	V29 K30 R32 K55	V29-E38 WeakPolarHBondContact CA-O 3.27Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; K30-E38 HydrophobicContact CB-CB 4.48Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 3.96Å; R32-E38 IonicContact NH1-OE1 3.89Å; R32-E38 PolarHBondContact NH1-OE1 2.92Å; E38-K55 IonicContact OE2-NZ 3.43Å
39	W	95.4	Very high	94.7	Very high	85 Å²	85	50 Å²	50	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.6	175.8	-179.3	76.8	0	0	0	111.1	H27 G41 E42 N51 N53	H27-W39 AromaticContact ND1-NE1 3.48Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; W39-G41 PolarHBondContact NE1-O 2.88Å; W39-E42 HydrophobicContact CZ2-CB 4Å; W39-E42 HydrophobicContact CZ2-CG 3.82Å; W39-N51 HydrophobicContact CH2-CB 4.27Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.89Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.28Å; W39-N53 PolarHBondContact O-ND2 2.91Å
40	I	97.1	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-48.2	-178.2	-63.6	172.8	0	0	0	110.7	W28 K30 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.05Å; W28-I40 PolarHBondContact O-N 3.19Å; K30-I40 HydrophobicContact CB-CD1 4.1Å; K30-I40 HydrophobicContact CB-CG1 4.34Å; I40-N53 WeakPolarHBondContact O-CB 3.26Å; I40-N53 PolarHBondContact O-N 3.25Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.24Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CB-SD 4.47Å; I40-M73 HydrophobicContact CD1-CE 3.75Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.71Å
41	G	96.4	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	177.6	-170.4	0	0	0	0	0	111.9	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 3.03Å; W39-G41 PolarHBondContact NE1-O 2.88Å; G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.4Å
42	E	96.1	Very high	94.9	Very high	33 Å²	33	55 Å²	55	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.9	179	65.5	-168.7	-158.8	0	0	111	W25 M26 H27 W39 T50 N51 L62	W25-E42 HydrophobicContact CE3-CB 4.11Å; W25-E42 HydrophobicContact CE3-CG 3.55Å; W25-E42 HydrophobicContact CZ3-CG 3.79Å; W25-E42 VanDerWaalsContact CZ3-OE1 3.32Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.47Å; M26-E42 CarbonylContact O-C 3.53Å; M26-E42 WeakPolarHBondContact O-CA 3.28Å; H27-E42 HydrophobicContact CB-CB 4.46Å; H27-E42 IonicContact CE1-OE2 2.79Å; H27-E42 PolarHBondContact CE1-OE2 3.01Å; H27-E42 IonicContact ND1-OE2 3.81Å; H27-E42 PolarHBondContact ND1-OE2 2.81Å; H27-E42 VanDerWaalsContact ND1-OE2 3.13Å; H27-E42 IonicContact NE2-OE2 3.63Å; W39-E42 HydrophobicContact CZ2-CB 4Å; W39-E42 HydrophobicContact CZ2-CG 3.82Å; E42-T50 VanDerWaalsContact O-CA 3.29Å; E42-T50 WeakPolarHBondContact O-CA 3.24Å; E42-N51 HydrophobicContact CG-CB 3.84Å; E42-N51 PolarHBondContact N-O 3.04Å; E42-N51 PolarHBondContact O-N 3.05Å; E42-N51 PolarHBondContact OE1-ND2 3.02Å; E42-L62 WeakPolarHBondContact O-CD1 3.08Å
43	I	96.9	Very high	95	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.2	173.9	-174.5	158.7	0	0	0	109.6	M26 P45 G49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.02Å; M26-I43 PolarHBondContact N-O 3.26Å; M26-I43 PolarHBondContact O-N 2.8Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.35Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.28Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.77Å
44	N	95.8	Very high	95.2	Very high	16 Å²	16	55.2 Å²	55.2	9%	0.086	32%	0.323	C	S	.	.			trans	-90.6	109.5	172.9	-176.9	-11.8	0	0	0	109.6	W25 S46 N47 D48 G49	W25-N44 HydrophobicContact CD2-CB 3.72Å; W25-N44 HydrophobicContact CE3-CB 3.79Å; W25-N44 HydrophobicContact CG-CB 4.4Å; W25-N44 HydrophobicContact CH2-CB 3.89Å; W25-N44 HydrophobicContact CZ2-CB 3.79Å; W25-N44 HydrophobicContact CZ3-CB 3.87Å; N44-S46 PolarHBondContact ND2-OG 3.28Å; N44-S46 VanDerWaalsContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 2.84Å; N44-S46 VanDerWaalsContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CB 3.46Å; N44-S46 PolarHBondContact OD1-N 2.9Å; N44-S46 PolarHBondContact OD1-OG 2.87Å; N44-N47 WeakPolarHBondContact CB-OD1 3.2Å; N44-N47 PolarHBondContact ND2-OD1 3.43Å; N44-N47 PolarHBondContact O-N 3Å; N44-D48 VanDerWaalsContact O-CA 3.3Å; N44-D48 WeakPolarHBondContact O-CA 3.21Å; N44-D48 PolarHBondContact O-N 2.75Å; N44-G49 PolarHBondContact N-O 3.2Å
45	P	95.9	Very high	95.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.8	-178.5	-15.2	30.4	0	0	0	114.1	F21 T22 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 3.93Å; F21-P45 HydrophobicContact CE2-CB 4.41Å; F21-P45 HydrophobicContact CE2-CG 3.89Å; F21-P45 HydrophobicContact CG-CB 4.33Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.89Å; F21-P45 HydrophobicContact CZ-CG 3.74Å; T22-P45 HydrophobicContact CG2-CB 4.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; M26-P45 HydrophobicContact CG-CG 3.81Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; P45-V64 HydrophobicContact CB-CB 4.45Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CB-CG2 4.48Å; P45-V64 HydrophobicContact CG-CG1 4.13Å; P45-K66 WeakPolarHBondContact O-CD 3.32Å; P45-K66 WeakPolarHBondContact O-CE 3.25Å; P45-K66 PolarHBondContact O-NZ 2.89Å
46	S	95.2	Very high	95.5	Very high	60 Å²	60	53.9 Å²	53.9	42%	0.42	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-45.5	175.9	65.9	0	0	0	0	112.3	N44 K66	N44-S46 PolarHBondContact ND2-OG 3.28Å; N44-S46 VanDerWaalsContact ND2-OG 3.15Å; N44-S46 PolarHBondContact O-N 2.84Å; N44-S46 VanDerWaalsContact O-N 3.12Å; N44-S46 WeakPolarHBondContact OD1-CB 3.46Å; N44-S46 PolarHBondContact OD1-N 2.9Å; N44-S46 PolarHBondContact OD1-OG 2.87Å; S46-K66 PolarHBondContact O-NZ 3.01Å
47	N	95.3	Very high	95.7	Very high	102 Å²	102	56.7 Å²	56.7	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	6.7	-170.8	68.3	8.1	0	0	0	114.4	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.2Å; N44-N47 PolarHBondContact ND2-OD1 3.43Å; N44-N47 PolarHBondContact O-N 3Å; N47-G49 PolarHBondContact O-N 3.33Å; N47-G49 VanDerWaalsContact O-N 3.11Å; N47-G49 PolarHBondContact OD1-N 3.09Å
48	D	95.6	Very high	95.7	Very high	80 Å²	80	57.3 Å²	57.3	43%	0.428	30%	0.299	S	S	.	.			trans	62.6	15.6	177.9	-47.2	-49.7	0	0	0	113.9	N44 V64 K66	N44-D48 VanDerWaalsContact O-CA 3.3Å; N44-D48 WeakPolarHBondContact O-CA 3.21Å; N44-D48 PolarHBondContact O-N 2.75Å; D48-V64 WeakPolarHBondContact OD1-CG2 2.94Å; D48-K66 WeakPolarHBondContact OD1-CE 2.95Å; D48-K66 IonicContact OD1-NZ 2.83Å; D48-K66 PolarHBondContact OD1-NZ 2.76Å; D48-K66 VanDerWaalsContact OD1-NZ 3.1Å; D48-K66 IonicContact OD2-NZ 3.13Å; D48-K66 PolarHBondContact OD2-NZ 3.05Å
49	G	96.4	Very high	95.7	Very high	27 Å²	27	57.3 Å²	57.3	28%	0.278	30%	0.298	S	S	.	.			trans	-65.7	135.7	174	0	0	0	0	0	111.2	I43 N44 N47	I43-G49 CarbonylContact C-O 3.58Å; I43-G49 WeakPolarHBondContact CA-O 3.39Å; N44-G49 PolarHBondContact N-O 3.2Å; N47-G49 PolarHBondContact O-N 3.33Å; N47-G49 VanDerWaalsContact O-N 3.11Å; N47-G49 PolarHBondContact OD1-N 3.09Å
50	T	96.8	Very high	95.8	Very high	54 Å²	54	53.4 Å²	53.4	33%	0.331	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142	-178.5	51.6	0	0	0	0	111.3	E42 I43 Y52 L62	E42-T50 VanDerWaalsContact O-CA 3.29Å; E42-T50 WeakPolarHBondContact O-CA 3.24Å; I43-T50 HydrophobicContact CB-CG2 3.94Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; T50-L62 HydrophobicContact CG2-CB 4.14Å
51	N	96.1	Very high	95.9	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.9	166.9	-64.3	-45	0	0	0	108.9	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 4.27Å; G41-N51 CarbonylContact C-O 3.49Å; G41-N51 WeakPolarHBondContact CA-O 3.4Å; E42-N51 HydrophobicContact CG-CB 3.84Å; E42-N51 PolarHBondContact N-O 3.04Å; E42-N51 PolarHBondContact O-N 3.05Å; E42-N51 PolarHBondContact OE1-ND2 3.02Å
52	Y	97.1	Very high	96	Very high	54 Å²	54	57.1 Å²	57.1	21%	0.212	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.3	-177.5	-66	-91.3	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.45Å; Y52-K57 HydrophobicContact CG-CG 4.41Å; Y52-A60 HydrophobicContact CD1-CB 4.49Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 VanDerWaalsContact CE1-O 3.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.3Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.87Å
53	N	96	Very high	96.1	Very high	46 Å²	46	58.4 Å²	58.4	25%	0.246	32%	0.316	C	S	.	.			trans	-71.9	132.1	156.4	-177	-24.4	0	0	0	108.4	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.89Å; W39-N53 VanDerWaalsContact CZ3-N 3.32Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.28Å; W39-N53 PolarHBondContact O-ND2 2.91Å; I40-N53 WeakPolarHBondContact O-CB 3.26Å; I40-N53 PolarHBondContact O-N 3.25Å; N53-K55 PolarHBondContact O-N 2.77Å; N53-K55 PolarHBondContact OD1-N 2.98Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 3.13Å; N53-K57 PolarHBondContact O-N 3.49Å
54	E	95.8	Very high	96.1	Very high	135 Å²	135	59.6 Å²	59.6	63%	0.631	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	-177	-69.7	-61.9	148.1	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 3.48Å; E54-K57 IonicContact OE1-NZ 2.53Å; E54-K57 PolarHBondContact OE1-NZ 2.88Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.11Å; E54-K57 IonicContact OE2-NZ 2.91Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
55	K	93.5	Very high	96.2	Very high	149 Å²	149	61.4 Å²	61.4	65%	0.648	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29	175.1	-67.4	-174	-177.5	-179.5	0	114.2	E38 N53	E38-K55 IonicContact OE2-NZ 3.43Å; N53-K55 PolarHBondContact O-N 2.77Å; N53-K55 PolarHBondContact OD1-N 2.98Å
56	F	95.2	Very high	96.1	Very high	12 Å²	12	65.6 Å²	65.6	5%	0.053	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.5	-172.4	-61.9	-82.5	0	0	0	113.4	K30 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.38Å; K30-F56 HydrophobicContact CD-CZ 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.19Å; I40-F56 HydrophobicContact CG1-CE1 4.24Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.34Å; I40-F56 HydrophobicContact CG2-CD2 4.38Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 3.13Å; E54-F56 PolarHBondContact O-N 3.48Å; F56-S58 PolarHBondContact O-N 3.17Å; F56-S58 VanDerWaalsContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.23Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.15Å
57	K	94	Very high	96.1	Very high	114 Å²	114	68 Å²	68	50%	0.496	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.4	-174	-169	176.1	-172.1	175.6	0	114.5	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.41Å; N53-K57 PolarHBondContact O-N 3.49Å; E54-K57 IonicContact OE1-NZ 2.53Å; E54-K57 PolarHBondContact OE1-NZ 2.88Å; E54-K57 VanDerWaalsContact OE2-CD 3.32Å; E54-K57 WeakPolarHBondContact OE2-CD 3.11Å; E54-K57 IonicContact OE2-NZ 2.91Å; E54-K57 PolarHBondContact OE2-NZ 2.82Å
58	S	94.5	Very high	96.1	Very high	113 Å²	113	65 Å²	65	79%	0.79	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.7	176.2	58.6	0	0	0	0	114	F56	F56-S58 PolarHBondContact O-N 3.17Å; F56-S58 VanDerWaalsContact O-N 3.15Å
59	K	95.1	Very high	96.2	Very high	39 Å²	39	63.1 Å²	63.1	17%	0.17	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-32.7	-167.3	-161.2	172.5	-168.2	170.1	0	113.7	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.23Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; K59-S76 WeakPolarHBondContact CE-O 3.32Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.83Å; K59-S77 WeakPolarHBondContact CE-O 3.44Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 3.1Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å
60	A	97.4	Very high	96.2	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	-178.7	0	0	0	0	0	110.6	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CD1-CB 4.49Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 VanDerWaalsContact CE1-O 3.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.3Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 3.15Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.39Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.37Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.1	Very high	96.3	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.6	169	-57.8	0	0	0	0	108.5	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.38Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 2.86Å
62	L	98.3	Very high	96.4	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.7	177.9	-52	-176	0	0	0	110.5	W28 E42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; E42-L62 WeakPolarHBondContact O-CD1 3.08Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.38Å; I43-L62 HydrophobicContact CD1-CB 4.16Å; I43-L62 HydrophobicContact CG2-CB 4.35Å; T50-L62 HydrophobicContact CG2-CB 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.87Å; L62-Y72 WeakPolarHBondContact CA-O 3.12Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.11Å
63	T	98.2	Very high	96.4	Very high	60 Å²	60	55.7 Å²	55.7	37%	0.368	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.6	176.3	53.8	0	0	0	0	110.4	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T63-Y72 PolarHBondContact N-O 3.01Å; T63-Y72 PolarHBondContact O-N 2.84Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.35Å
64	V	97.7	Very high	96.5	Very high	29 Å²	29	57.8 Å²	57.8	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	147.4	175.4	-69.1	0	0	0	0	110.5	F21 I43 P45 D48 K66 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.17Å; F21-V64 HydrophobicContact CE1-CG1 4.27Å; F21-V64 HydrophobicContact CZ-CB 4.27Å; F21-V64 HydrophobicContact CZ-CG1 3.94Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.28Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.77Å; P45-V64 HydrophobicContact CB-CB 4.45Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CB-CG2 4.48Å; P45-V64 HydrophobicContact CG-CG1 4.13Å; D48-V64 WeakPolarHBondContact OD1-CG2 2.94Å; V64-K66 HydrophobicContact CG2-CG 4.49Å; V64-T70 CarbonylContact C-O 3.59Å; V64-T70 WeakPolarHBondContact CA-O 3.28Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
65	D	97.1	Very high	96.5	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	105.3	164.4	174.9	6.1	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.5Å; D65-S67 PolarHBondContact OD1-OG 2.01Å; D65-S67 PolarHBondContact OD2-OG 3.43Å; D65-S68 WeakPolarHBondContact CB-OG 3.18Å; D65-S68 PolarHBondContact OD1-N 2.78Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 2.82Å; D65-S69 WeakPolarHBondContact O-CA 3.12Å; D65-S69 PolarHBondContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	95	Very high	96.6	Very high	88 Å²	88	46 Å²	46	38%	0.383	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.7	-177.1	-55.2	178.9	-162.2	-174.6	0	111.6	P45 S46 D48 V64 S69	P45-K66 WeakPolarHBondContact O-CD 3.32Å; P45-K66 WeakPolarHBondContact O-CE 3.25Å; P45-K66 PolarHBondContact O-NZ 2.89Å; S46-K66 PolarHBondContact O-NZ 3.01Å; D48-K66 WeakPolarHBondContact OD1-CE 2.95Å; D48-K66 IonicContact OD1-NZ 2.83Å; D48-K66 PolarHBondContact OD1-NZ 2.76Å; D48-K66 VanDerWaalsContact OD1-NZ 3.1Å; D48-K66 IonicContact OD2-NZ 3.13Å; D48-K66 PolarHBondContact OD2-NZ 3.05Å; V64-K66 HydrophobicContact CG2-CG 4.49Å; K66-S69 PolarHBondContact O-N 2.87Å
67	S	94.8	Very high	96.6	Very high	111 Å²	111	49.1 Å²	49.1	78%	0.776	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-39.9	-178.6	74.2	0	0	0	0	112	D65	D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 2.83Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.5Å; D65-S67 PolarHBondContact OD1-OG 2.01Å; D65-S67 PolarHBondContact OD2-OG 3.43Å
68	S	96.1	Very high	96.6	Very high	38 Å²	38	44.3 Å²	44.3	27%	0.266	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.7	176.6	65.9	0	0	0	0	113.5	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.18Å; D65-S68 PolarHBondContact OD1-N 2.78Å; D65-S68 WeakPolarHBondContact OD2-CB 3.49Å; D65-S68 PolarHBondContact OD2-OG 2.82Å; S68-T70 PolarHBondContact O-N 2.92Å; S68-T70 PolarHBondContact O-OG1 2.99Å; S68-T70 VanDerWaalsContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.28Å; S68-T70 PolarHBondContact OG-OG1 3.15Å; S68-T70 VanDerWaalsContact OG-OG1 3.14Å
69	S	96.3	Very high	96.5	Very high	41 Å²	41	42.1 Å²	42.1	29%	0.287	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	43.4	-173.9	-60.9	0	0	0	0	112.6	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.11Å; A16-S69 PolarHBondContact N-O 3.33Å; D65-S69 WeakPolarHBondContact O-CA 3.12Å; D65-S69 PolarHBondContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.87Å
70	T	97.7	Very high	96.3	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128	-175	-53	0	0	0	0	110.8	C14 V64 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.6Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; C14-T70 WeakPolarHBondContact O-CG2 3.39Å; V64-T70 CarbonylContact C-O 3.59Å; V64-T70 WeakPolarHBondContact CA-O 3.28Å; D65-T70 PolarHBondContact N-O 2.87Å; D65-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-N 2.92Å; S68-T70 PolarHBondContact O-OG1 2.99Å; S68-T70 VanDerWaalsContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.28Å; S68-T70 PolarHBondContact OG-OG1 3.15Å; S68-T70 VanDerWaalsContact OG-OG1 3.14Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
71	A	97.8	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.4	167.4	0	0	0	0	0	110	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å; C14-A71 HydrophobicContact CB-CB 4.47Å; C14-A71 PolarHBondContact N-O 2.82Å; C14-A71 PolarHBondContact O-N 2.94Å; F21-A71 HydrophobicContact CE2-CB 4.31Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 4.08Å; W28-A71 HydrophobicContact CZ2-CB 4.41Å; V64-A71 HydrophobicContact CG1-CB 4.21Å
72	Y	98.1	Very high	95.7	Very high	51 Å²	51	48.8 Å²	48.8	20%	0.2	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.7	178.4	-57.7	-86.2	0	0	0	111.2	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.35Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; L12-Y72 WeakPolarHBondContact O-CB 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.12Å; T63-Y72 PolarHBondContact N-O 3.01Å; T63-Y72 PolarHBondContact O-N 2.84Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.35Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.25Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
73	M	98	Very high	95.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.7	167.1	176.8	174.6	68.9	0	0	109	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 2.81Å; W28-M73 HydrophobicContact CB-CE 4.39Å; W28-M73 HydrophobicContact CB-SD 3.77Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.16Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.26Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CE 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.17Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.2Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; I40-M73 HydrophobicContact CB-SD 4.47Å; I40-M73 HydrophobicContact CD1-CE 3.75Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.38Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.11Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.38Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.33Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 3.98Å; M73-Y86 HydrophobicContact CE-CG 4.3Å
74	Q	97.9	Very high	95.3	Very high	89 Å²	89	51.4 Å²	51.4	42%	0.416	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.4	168.8	-175	175.1	4.4	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.44Å; A60-Q74 CarbonylContact C-O 3.52Å; A60-Q74 WeakPolarHBondContact CA-O 3.37Å; T61-Q74 PolarHBondContact N-O 2.85Å; T61-Q74 PolarHBondContact O-N 2.86Å
75	L	96.6	Very high	95.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.9	170.5	-66.2	168.2	0	0	0	108.7	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.46Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.17Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.36Å; V10-L75 PolarHBondContact N-O 3.25Å; V10-L75 PolarHBondContact O-N 3.02Å; K59-L75 WeakPolarHBondContact O-CA 3.29Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.38Å; M73-L75 HydrophobicContact CE-CG 4.09Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.13Å; M73-L75 HydrophobicContact SD-CG 4.33Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.36Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.29Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.32Å
76	S	95.6	Very high	95.1	Very high	34 Å²	34	53.3 Å²	53.3	24%	0.238	32%	0.316	C	S	.	.			trans	-106.1	159.5	178.7	60.6	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.35Å; K59-S76 WeakPolarHBondContact CE-O 3.32Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.97Å; K59-S76 PolarHBondContact O-OG 2.83Å; S76-L78 PolarHBondContact O-N 2.8Å
77	S	94.3	Very high	95.1	Very high	79 Å²	79	52.7 Å²	52.7	55%	0.552	31%	0.312	S	S	*	.	S	Bend	trans	50.9	52	171.8	-57.8	0	0	0	0	112.9	A8 K59	A8-S77 PolarHBondContact O-N 2.96Å; K59-S77 WeakPolarHBondContact CE-O 3.44Å
78	L	94.1	Very high	95.2	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.063	28%	0.276	C	S	.	.			trans	-64.4	140.2	-172.9	-68	170.7	0	0	0	112.4	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.42Å; V4-L78 VanDerWaalsContact CG2-CD1 3.42Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.48Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.22Å; A8-L78 PolarHBondContact O-N 3.13Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 PolarHBondContact O-N 2.8Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.71Å
79	T	93.2	Very high	95.1	Very high	68 Å²	68	46.2 Å²	46.2	42%	0.417	27%	0.266	S	S	.	.			trans	-120.5	171.5	175	68.4	0	0	0	0	109.9	E81 D82	T79-E81 PolarHBondContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 2.94Å; T79-D82 PolarHBondContact N-OD2 3.37Å; T79-D82 WeakPolarHBondContact O-CB 3.18Å; T79-D82 PolarHBondContact O-N 2.61Å; T79-D82 PolarHBondContact OG1-OD2 3.12Å
80	S	90.6	Very high	94.9	Very high	108 Å²	108	46.1 Å²	46.1	76%	0.755	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-57.1	-29.6	175.1	50.8	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.97Å; S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 VanDerWaalsContact O-N 3.16Å
81	E	89.5	Confident	94.5	Very high	131 Å²	131	45.7 Å²	45.7	61%	0.612	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.8	-18.4	177.2	-62	-176.7	177.5	0	0	113.2	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.78Å; R32-E81 VanDerWaalsContact CZ-O 3.27Å; R32-E81 PolarHBondContact NE-O 2.75Å; R32-E81 PolarHBondContact NH2-O 2.8Å; T79-E81 PolarHBondContact O-N 3.17Å; T79-E81 PolarHBondContact OG1-N 2.94Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	92.6	Very high	93.5	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-81.8	-10.4	175.8	-56.7	-51.3	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.91Å; K59-D82 WeakPolarHBondContact CE-OD2 3.38Å; K59-D82 IonicContact NZ-OD1 3.1Å; K59-D82 PolarHBondContact NZ-OD1 2.96Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.83Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.71Å; T79-D82 PolarHBondContact N-OD2 3.37Å; T79-D82 WeakPolarHBondContact O-CB 3.18Å; T79-D82 PolarHBondContact O-N 2.61Å; T79-D82 PolarHBondContact OG1-OD2 3.12Å; S80-D82 PolarHBondContact O-N 2.97Å; D82-A84 PolarHBondContact O-N 2.85Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.01Å
83	S	93.2	Very high	91.7	Very high	95 Å²	95	54.6 Å²	54.6	66%	0.664	30%	0.299	S	S	*	.			trans	-64	110.8	176.1	-165.5	0	0	0	0	110.3	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.45Å; S80-S83 PolarHBondContact O-N 3.26Å; S80-S83 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.32Å
84	A	94.6	Very high	90.1	Very high	28 Å²	28	58.6 Å²	58.6	23%	0.231	34%	0.34	C	S	.	.	S	Bend	trans	-166.4	169.3	-172.9	0	0	0	0	0	110.7	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 3.93Å; K30-A84 HydrophobicContact CG-CB 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.12Å; R32-A84 HydrophobicContact CG-CB 4.13Å; D82-A84 PolarHBondContact O-N 2.85Å; A84-Y86 HydrophobicContact CB-CE2 4.03Å
85	V	95.3	Very high	88.6	Confident	75 Å²	75	56.5 Å²	56.5	46%	0.455	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.7	162.1	-171.9	0	0	0	0	108.3	K30 Q31 Y87	K30-V85 CarbonylContact C-O 3.6Å; Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 2.87Å; V85-Y87 HydrophobicContact CB-CE2 4.02Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.66Å; V85-Y87 HydrophobicContact CG1-CE2 3.73Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å
86	Y	95.9	Very high	87.3	Confident	49 Å²	49	61 Å²	61	19%	0.192	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.9	177.4	-69.6	-91.2	0	0	0	109	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.26Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 WeakPolarHBondContact O-CA 3.49Å; K30-Y86 HydrophobicContact CB-CD1 4.07Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.89Å; K30-Y86 HydrophobicContact CG-CD1 4.2Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.71Å; M73-Y86 HydrophobicContact CE-CD1 3.57Å; M73-Y86 HydrophobicContact CE-CE1 3.98Å; M73-Y86 HydrophobicContact CE-CG 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.36Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.29Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.01Å; A84-Y86 HydrophobicContact CB-CE2 4.03Å
87	Y	95.6	Very high	86.3	Confident	74 Å²	74	67 Å²	67	29%	0.29	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.4	178.8	-56.4	-79.1	0	0	0	109.2	V29 Q31 L37 V85 F100	V29-Y87 PolarHBondContact N-O 3.36Å; V29-Y87 PolarHBondContact O-N 3.11Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.53Å; L37-Y87 HydrophobicContact CD2-CD2 4.34Å; L37-Y87 HydrophobicContact CD2-CE2 4.41Å; V85-Y87 HydrophobicContact CB-CE2 4.02Å; V85-Y87 HydrophobicContact CG1-CD1 4.34Å; V85-Y87 HydrophobicContact CG1-CD2 4.39Å; V85-Y87 HydrophobicContact CG1-CE1 3.66Å; V85-Y87 HydrophobicContact CG1-CE2 3.73Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.37Å; Y87-F100 HydrophobicContact CD1-CD1 4.22Å; Y87-F100 HydrophobicContact CD1-CE1 4.29Å; Y87-F100 HydrophobicContact CG-CD1 4.24Å; Y87-F100 HydrophobicContact CG-CE1 4.04Å
88	C	95.4	Very high	85.8	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.034	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.2	159.3	59.8	0	0	0	0	109.7	C14 H27 W28 D101	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.5Å; C14-C88 WeakPolarHBondContact SG-CB 3.41Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 2.9Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.26Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; C88-D101 PolarHBondContact O-N 2.87Å; C88-D101 PolarHBondContact SG-O 3.1Å
89	T	94.6	Very high	85.5	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.055	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.6	174	62.7	0	0	0	0	109.9	H27 Y99 F100	H27-T89 WeakPolarHBondContact CB-OG1 3.48Å; H27-T89 PolarHBondContact N-O 3.48Å; H27-T89 PolarHBondContact O-N 3Å; T89-Y99 CarbonylContact C-O 3.38Å; T89-Y99 WeakPolarHBondContact CA-O 3.44Å; T89-Y99 VanDerWaalsContact CB-O 3.28Å; T89-Y99 WeakPolarHBondContact CB-O 3.34Å; T89-F100 HydrophobicContact CG2-CD1 3.47Å; T89-F100 VanDerWaalsContact CG2-CD1 3.47Å; T89-F100 HydrophobicContact CG2-CE1 3.63Å; T89-F100 HydrophobicContact CG2-CG 4.08Å; T89-F100 HydrophobicContact CG2-CZ 4.36Å
90	R	93.1	Very high	85.3	Confident	38 Å²	38	77.7 Å²	77.7	14%	0.143	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	147.9	171.9	66	-176.9	178.2	80.3	5.3	112.4	Y19 Y24 W25 M26 W98 Y99 D101	Y19-R90 VanDerWaalsContact CE1-CD 3.47Å; Y24-R90 HydrophobicContact CG-CB 4.42Å; W25-R90 VanDerWaalsContact O-CA 3.28Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; M26-R90 HydrophobicContact CE-CB 4.36Å; M26-R90 HydrophobicContact SD-CB 3.91Å; R90-W98 WeakPolarHBondContact O-CA 3.38Å; R90-Y99 HydrophobicContact CG-CD2 4.45Å; R90-Y99 PolarHBondContact N-O 3.33Å; R90-Y99 PolarHBondContact O-N 3.22Å; R90-D101 VanDerWaalsContact CB-OD2 3.3Å; R90-D101 WeakPolarHBondContact CB-OD2 3Å; R90-D101 VanDerWaalsContact CD-OD2 3.25Å; R90-D101 WeakPolarHBondContact CD-OD2 3.4Å; R90-D101 WeakPolarHBondContact CG-OD2 3.1Å; R90-D101 IonicContact NE-OD1 2.77Å; R90-D101 IonicContact NE-OD2 3.81Å
91	G	88.8	Confident	85.1	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153	167.2	0	0	0	0	0	113.4	W25 W98	W25-G91 PolarHBondContact N-O 3.41Å; W25-G91 PolarHBondContact O-N 3.14Å; W25-G91 VanDerWaalsContact O-N 3.09Å; G91-W98 VanDerWaalsContact CA-CZ3 3.41Å
92	G	75.8	Confident	84.7	Confident	22 Å²	22	74.8 Å²	74.8	23%	0.227	40%	0.396	C	S	.	.			trans	-86.9	155.8	177.6	0	0	0	0	0	111.7	G94 S95	G92-G94 PolarHBondContact O-N 3.14Å; G92-G94 VanDerWaalsContact O-N 3.15Å; G92-S95 VanDerWaalsContact O-CB 3.28Å; G92-S95 WeakPolarHBondContact O-CB 3.37Å; G92-S95 PolarHBondContact O-N 2.61Å
93	Y	62.3	Low	84.3	Confident	215 Å²	215	78 Å²	78	84%	0.843	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	117.2	175.3	-162.7	-98.9	0	0	0	110.2
94	G	63.2	Low	83.8	Confident	84 Å²	84	77.1 Å²	77.1	87%	0.866	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	6.9	-176	0	0	0	0	0	115.8	G92	G92-G94 PolarHBondContact O-N 3.14Å; G92-G94 VanDerWaalsContact O-N 3.15Å
95	S	66.4	Low	83.2	Confident	45 Å²	45	79.8 Å²	79.8	32%	0.315	41%	0.408	S	S	.	.			trans	-79.9	133.1	174.5	177.9	0	0	0	0	111.4	G92 Y97	G92-S95 VanDerWaalsContact O-CB 3.28Å; G92-S95 WeakPolarHBondContact O-CB 3.37Å; G92-S95 PolarHBondContact O-N 2.61Å; S95-Y97 VanDerWaalsContact C-N 3.26Å; S95-Y97 PolarHBondContact OG-N 3.15Å; S95-Y97 PolarHBondContact OG-O 3.46Å
96	S	69.6	Low	82.5	Confident	97 Å²	97	80.1 Å²	80.1	68%	0.678	41%	0.405	S	S	*	.	S	Bend	trans	-81.4	-3.8	167.6	53.6	0	0	0	0	113.5
97	Y	75.1	Confident	81.7	Confident	159 Å²	159	82 Å²	82	62%	0.624	42%	0.419	S	S	*	.			trans	-108.3	130.1	-176.8	-59.3	-79.1	0	0	0	111.8	S95	S95-Y97 VanDerWaalsContact C-N 3.26Å; S95-Y97 PolarHBondContact OG-N 3.15Å; S95-Y97 PolarHBondContact OG-O 3.46Å
98	W	82.6	Confident	80.8	Confident	134 Å²	134	82.5 Å²	82.5	51%	0.508	43%	0.427	S	S	.	.			trans	-115.5	137.1	175.1	-56.1	101.8	0	0	0	109.5	H27 R90 G91	H27-W98 AromaticContact CD2-CZ3 3.4Å; H27-W98 VanDerWaalsContact CD2-CZ3 3.4Å; H27-W98 WeakPolarHBondContact CD2-CZ3 3.39Å; H27-W98 AromaticContact CE1-CH2 3.28Å; H27-W98 WeakPolarHBondContact CE1-CH2 3.3Å; H27-W98 AromaticContact CE1-CZ3 3.26Å; H27-W98 WeakPolarHBondContact CE1-CZ3 3.44Å; H27-W98 AromaticContact CG-CZ3 3.88Å; H27-W98 AromaticContact ND1-CH2 3.89Å; H27-W98 AromaticContact ND1-CZ3 3.78Å; H27-W98 AromaticContact NE2-CH2 3.54Å; H27-W98 AromaticContact NE2-CZ3 3.05Å; H27-W98 WeakPolarHBondContact NE2-CZ3 3.34Å; R90-W98 WeakPolarHBondContact O-CA 3.38Å; G91-W98 VanDerWaalsContact CA-CZ3 3.41Å
99	Y	88.6	Confident	79.7	Confident	118 Å²	118	88.1 Å²	88.1	46%	0.463	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.9	175.5	-60.2	-89.2	0	0	0	109.5	T89 R90	T89-Y99 CarbonylContact C-O 3.38Å; T89-Y99 WeakPolarHBondContact CA-O 3.44Å; T89-Y99 VanDerWaalsContact CB-O 3.28Å; T89-Y99 WeakPolarHBondContact CB-O 3.34Å; R90-Y99 HydrophobicContact CG-CD2 4.45Å; R90-Y99 PolarHBondContact N-O 3.33Å; R90-Y99 PolarHBondContact O-N 3.22Å
100	F	88.2	Confident	78.6	Confident	132 Å²	132	94.2 Å²	94.2	58%	0.579	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.9	172.1	-68.8	-83.7	0	0	0	110.3	Y87 T89	Y87-F100 HydrophobicContact CD1-CD1 4.22Å; Y87-F100 HydrophobicContact CD1-CE1 4.29Å; Y87-F100 HydrophobicContact CG-CD1 4.24Å; Y87-F100 HydrophobicContact CG-CE1 4.04Å; T89-F100 HydrophobicContact CG2-CD1 3.47Å; T89-F100 VanDerWaalsContact CG2-CD1 3.47Å; T89-F100 HydrophobicContact CG2-CE1 3.63Å; T89-F100 HydrophobicContact CG2-CG 4.08Å; T89-F100 HydrophobicContact CG2-CZ 4.36Å
101	D	87.9	Confident	77.4	Confident	26 Å²	26	98.8 Å²	98.8	14%	0.139	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	172.1	170.9	-68.1	-58.5	0	0	0	109.5	C14 Y19 M26 C88 R90	C14-D101 VanDerWaalsContact SG-CB 3.58Å; Y19-D101 WeakPolarHBondContact CE1-OD1 2.97Å; Y19-D101 PolarHBondContact OH-OD1 3.41Å; Y19-D101 PolarHBondContact OH-OD2 2.63Å; Y19-D101 VanDerWaalsContact OH-OD2 3.05Å; M26-D101 HydrophobicContact CE-CB 4.34Å; C88-D101 PolarHBondContact O-N 2.87Å; C88-D101 PolarHBondContact SG-O 3.1Å; R90-D101 VanDerWaalsContact CB-OD2 3.3Å; R90-D101 WeakPolarHBondContact CB-OD2 3Å; R90-D101 VanDerWaalsContact CD-OD2 3.25Å; R90-D101 WeakPolarHBondContact CD-OD2 3.4Å; R90-D101 WeakPolarHBondContact CG-OD2 3.1Å; R90-D101 IonicContact NE-OD1 2.77Å; R90-D101 IonicContact NE-OD2 3.81Å
102	V	80.1	Confident	76.3	Confident	153 Å²	153	107.7 Å²	107.7	93%	0.927	56%	0.561	S	S	*	*			trans	-124.5	0	-175.7	-173.7	0	0	0	0	111	K15	K15-V102 PolarHBondContact N-O 2.96Å

Retrieved 102 of 102 residues in 21.7 ms (Link to these results)

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