A0A075B6D0_MOUSE Loading...

T cell receptor alpha variable 6-3

AlphaFold DB , UniProt , Accession A0A075B6D0, Species MOUSE (Mus musculus, Mouse), Gene Trav6-3, Length 101 aa.

						>A0A075B6D0_MOUSE|A0A075B6D0|Trav6-3
LFLSGRTHGDSVIQMQGQVTLSENDFLFINCTYSTTGYPTLFWYVQYSGEGPQLLLQVTTANNKGSSRGFEATYDKGTTSFHLQKTSVQEIDSAVYYCAMR
					

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(Predicted Aligned Error values between residue pairs)

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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	L	36.5	Very low	56.6	Low	206 Å²	206	132.4 Å²	132.4	100%	1.079	73%	0.729	S	S	*	*				0	108.9	0	-103.7	83.6	0	0	0	107.5
2	F	35.3	Very low	59.9	Low	204 Å²	204	125.6 Å²	125.6	90%	0.895	69%	0.694	S	S	*	*			trans	-113.7	111.5	165.2	-75	-75.2	0	0	0	107	S4	F2-S4 PolarHBondContact O-N 3.41Å
3	L	42.3	Very low	62.7	Low	166 Å²	166	124.5 Å²	124.5	87%	0.869	68%	0.684	S	S	*	*			trans	-77.6	92	172.2	-68.7	167.9	0	0	0	107.4	G5	L3-G5 PolarHBondContact O-N 3.02Å
4	S	42.8	Very low	65	Low	110 Å²	110	119.6 Å²	119.6	77%	0.769	65%	0.654	S	S	*	*			trans	-86.6	96.2	170.4	-60.7	0	0	0	0	108.6	F2 R6	F2-S4 PolarHBondContact O-N 3.41Å; S4-R6 PolarHBondContact O-N 2.69Å
5	G	40.4	Very low	66.6	Low	68 Å²	68	116.3 Å²	116.3	70%	0.701	63%	0.634	S	S	*	*			trans	-56.2	124.1	169.5	0	0	0	0	0	110	L3 T7	L3-G5 PolarHBondContact O-N 3.02Å; G5-T7 PolarHBondContact O-N 3.25Å
6	R	46.5	Very low	67.8	Low	233 Å²	233	120.7 Å²	120.7	88%	0.879	65%	0.648	S	S	*	*			trans	-75.2	92.7	173.8	-74.5	-177.1	174.2	-176.7	-2.1	109	S4 H8	S4-R6 PolarHBondContact O-N 2.69Å; R6-H8 PolarHBondContact O-N 3.14Å
7	T	53.1	Low	68.9	Low	132 Å²	132	117.7 Å²	117.7	81%	0.81	65%	0.653	S	S	*	*			trans	-78.2	107.1	151.3	52.6	0	0	0	0	106.2	G5 G9	G5-T7 PolarHBondContact O-N 3.25Å; T7-G9 PolarHBondContact O-N 2.85Å
8	H	62.3	Low	70.1	Confident	137 Å²	137	121.1 Å²	121.1	63%	0.634	66%	0.663	S	S	*	*			trans	-69.1	88.9	170.6	-123.9	86.2	0	0	0	106.9	R6	R6-H8 PolarHBondContact O-N 3.14Å
9	G	78.3	Confident	71.2	Confident	45 Å²	45	118.8 Å²	118.8	46%	0.464	65%	0.653	S	S	.	*			trans	-87.7	147.1	177.2	0	0	0	0	0	110.8	T7 S11	T7-G9 PolarHBondContact O-N 2.85Å; G9-S11 PolarHBondContact O-N 3.38Å
10	D	90.4	Very high	72.4	Confident	103 Å²	103	118.9 Å²	118.9	55%	0.551	66%	0.657	S	S	*	*			trans	-58.9	128.4	173	-68.3	-26.2	0	0	0	109.8	S34 T35 M100	D10-S34 CarbonylContact C-O 3.54Å; D10-S34 VanDerWaalsContact CA-O 3.25Å; D10-S34 WeakPolarHBondContact CA-O 3.26Å; D10-T35 VanDerWaalsContact OD1-CA 3.22Å; D10-T35 WeakPolarHBondContact OD1-CA 3.49Å; D10-T35 WeakPolarHBondContact OD1-CB 3.48Å; D10-T35 PolarHBondContact OD1-OG1 2.79Å; D10-M100 HydrophobicContact CB-CE 3.7Å
11	S	94.8	Very high	73.5	Confident	52 Å²	52	116.4 Å²	116.4	36%	0.364	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.8	156.6	-179.4	55.3	0	0	0	0	112.9	G9 Y33 S34 M100	G9-S11 PolarHBondContact O-N 3.38Å; S11-Y33 CarbonylContact O-C 3.58Å; S11-Y33 VanDerWaalsContact O-CA 3.25Å; S11-Y33 WeakPolarHBondContact O-CA 3.28Å; S11-S34 PolarHBondContact N-O 2.97Å; S11-S34 PolarHBondContact O-N 2.79Å; S11-M100 VanDerWaalsContact N-CE 3.32Å; S11-M100 VanDerWaalsContact O-CE 3.28Å; S11-M100 WeakPolarHBondContact O-CE 3.4Å
12	V	96.4	Very high	76.3	Confident	51 Å²	51	110.5 Å²	110.5	31%	0.309	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	135.2	172.1	177.5	0	0	0	0	108.2	C31 T32 C98 M100	V12-C31 VanDerWaalsContact CG1-SG 3.56Å; V12-T32 CarbonylContact C-O 3.59Å; V12-T32 WeakPolarHBondContact CA-O 3.38Å; V12-C98 HydrophobicContact CG1-CB 3.99Å; V12-M100 HydrophobicContact CG2-CB 3.65Å; V12-M100 HydrophobicContact CG2-CE 4.05Å
13	I	96.3	Very high	79.3	Confident	112 Å²	112	105.9 Å²	105.9	57%	0.574	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	118.1	175.5	-57.6	175.7	0	0	0	107.8	C31 T32	I13-C31 WeakPolarHBondContact O-CA 3.43Å; I13-T32 PolarHBondContact N-O 2.82Å; I13-T32 PolarHBondContact O-N 2.94Å
14	Q	94.5	Very high	81.9	Confident	56 Å²	56	103.5 Å²	103.5	26%	0.262	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	150.4	176.9	-169.7	-178.9	-56.1	0	0	110.2	Q16 I29 N30 W43 Y96	Q14-Q16 PolarHBondContact O-N 3.1Å; Q14-I29 HydrophobicContact CG-CG2 4.24Å; Q14-N30 WeakPolarHBondContact CA-O 3.37Å; Q14-N30 VanDerWaalsContact CG-O 3.28Å; Q14-N30 WeakPolarHBondContact CG-O 3.17Å; Q14-W43 HydrophobicContact CG-CH2 4.26Å; Q14-Y96 PolarHBondContact NE2-O 2.99Å
15	M	89.5	Confident	84.5	Confident	70 Å²	70	101.4 Å²	101.4	35%	0.345	57%	0.568	S	S	.	*			trans	-53.4	128.3	165.8	174.5	170	62.7	0	0	110.4	V19 I29 N30	M15-V19 HydrophobicContact CE-CG2 3.7Å; M15-V19 HydrophobicContact SD-CG2 4.44Å; M15-I29 HydrophobicContact CE-CG2 4.21Å; M15-N30 HydrophobicContact CB-CB 4.07Å; M15-N30 PolarHBondContact N-O 3.16Å
16	Q	84.7	Confident	87.2	Confident	186 Å²	186	103.2 Å²	103.2	87%	0.869	56%	0.557	S	S	*	*			trans	-97.5	148.1	177.8	-63	-179.3	10.6	0	0	110.3	Q14	Q14-Q16 PolarHBondContact O-N 3.1Å
17	G	88	Confident	89.6	Confident	70 Å²	70	92.8 Å²	92.8	72%	0.722	52%	0.518	S	S	*	.	S	Bend	trans	107.2	176.2	176.3	0	0	0	0	0	113.6
18	Q	89.9	Confident	91.7	Very high	178 Å²	178	90.3 Å²	90.3	83%	0.832	50%	0.496	S	S	*	.			trans	-88.5	136.1	178.4	-177.1	177	-12.7	0	0	110
19	V	91	Very high	93.4	Very high	78 Å²	78	84.5 Å²	84.5	47%	0.473	47%	0.47	S	S	.	.			trans	-111.3	128.7	170.6	-174.7	0	0	0	0	107.7	M15 L21	M15-V19 HydrophobicContact CE-CG2 3.7Å; M15-V19 HydrophobicContact SD-CG2 4.44Å; V19-L21 HydrophobicContact CG1-CD1 4.43Å; V19-L21 HydrophobicContact CG1-CD2 4.09Å; V19-L21 HydrophobicContact CG1-CG 3.98Å
20	T	94.5	Very high	94.4	Very high	120 Å²	120	85.5 Å²	85.5	74%	0.736	46%	0.464	S	S	*	.			trans	-110	123.2	174.6	-51.6	0	0	0	0	108.1
21	L	95.2	Very high	94.7	Very high	68 Å²	68	80.7 Å²	80.7	36%	0.356	44%	0.439	S	S	.	.			trans	-126	151.3	178.7	-63.2	176.7	0	0	0	109.1	V19 D25 L27 V88	V19-L21 HydrophobicContact CG1-CD1 4.43Å; V19-L21 HydrophobicContact CG1-CD2 4.09Å; V19-L21 HydrophobicContact CG1-CG 3.98Å; L21-D25 HydrophobicContact CB-CB 4.08Å; L21-D25 HydrophobicContact CD2-CB 4.38Å; L21-L27 HydrophobicContact CD1-CB 4.01Å; L21-L27 HydrophobicContact CD1-CD1 3.65Å; L21-L27 HydrophobicContact CD1-CG 4.46Å; L21-V88 HydrophobicContact CB-CG2 4.11Å; L21-V88 HydrophobicContact CD1-CG1 4.43Å; L21-V88 HydrophobicContact CD1-CG2 4.42Å
22	S	97.1	Very high	94.9	Very high	81 Å²	81	80.6 Å²	80.6	57%	0.566	44%	0.436	S	S	*	.			trans	-83.5	158.5	169.5	-53.5	0	0	0	0	110	N24 D25 V88	S22-N24 PolarHBondContact O-N 2.82Å; S22-D25 WeakPolarHBondContact CA-OD2 3.49Å; S22-D25 WeakPolarHBondContact CB-OD2 3.42Å; S22-D25 PolarHBondContact N-OD2 3.03Å; S22-D25 WeakPolarHBondContact O-CB 3.46Å; S22-D25 VanDerWaalsContact O-CG 3.32Å; S22-D25 PolarHBondContact O-N 3.15Å; S22-D25 VanDerWaalsContact O-N 3.11Å; S22-V88 VanDerWaalsContact O-CG2 3.31Å; S22-V88 WeakPolarHBondContact O-CG2 3.34Å
23	E	96.8	Very high	94.9	Very high	108 Å²	108	78.7 Å²	78.7	51%	0.505	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	142.9	172.2	-69.1	-162.4	129.7	0	0	111.2	D25 V88 E90	E23-D25 PolarHBondContact O-N 2.87Å; E23-V88 WeakPolarHBondContact CA-O 3.22Å; E23-E90 HydrophobicContact CG-CG 4.23Å; E23-E90 PolarHBondContact OE1-N 2.69Å
24	N	97.1	Very high	94.9	Very high	115 Å²	115	75.1 Å²	75.1	62%	0.615	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	2.4	-174	-48.2	-73.6	0	0	0	116.2	S22 S87 V88	S22-N24 PolarHBondContact O-N 2.82Å; N24-S87 WeakPolarHBondContact CA-OG 3.46Å; N24-S87 PolarHBondContact OD1-OG 3.31Å; N24-V88 PolarHBondContact N-O 3.46Å
25	D	98.1	Very high	94.8	Very high	66 Å²	66	74.2 Å²	74.2	35%	0.353	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.5	156.4	170.6	-73	-13.4	0	0	0	111.5	L21 S22 E23 S87 V88	L21-D25 HydrophobicContact CB-CB 4.08Å; L21-D25 HydrophobicContact CD2-CB 4.38Å; S22-D25 WeakPolarHBondContact CA-OD2 3.49Å; S22-D25 WeakPolarHBondContact CB-OD2 3.42Å; S22-D25 PolarHBondContact N-OD2 3.03Å; S22-D25 WeakPolarHBondContact O-CB 3.46Å; S22-D25 VanDerWaalsContact O-CG 3.32Å; S22-D25 PolarHBondContact O-N 3.15Å; S22-D25 VanDerWaalsContact O-N 3.11Å; E23-D25 PolarHBondContact O-N 2.87Å; D25-S87 WeakPolarHBondContact O-CA 3.22Å; D25-V88 HydrophobicContact CB-CG2 4.32Å; D25-V88 PolarHBondContact O-N 2.97Å
26	F	97.7	Very high	94.8	Very high	107 Å²	107	77.1 Å²	77.1	47%	0.469	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-78.9	124.7	172	179.8	-103.2	0	0	0	110.5	F28 Q84 K85	F26-F28 HydrophobicContact CD1-CB 4.24Å; F26-F28 HydrophobicContact CE1-CB 3.74Å; F26-F28 AromaticContact CE1-CD2 3.96Å; F26-F28 HydrophobicContact CE1-CD2 3.96Å; F26-F28 HydrophobicContact CE1-CG 4.27Å; F26-F28 HydrophobicContact CZ-CD2 4.26Å; F26-Q84 HydrophobicContact CE2-CB 4.39Å; F26-Q84 HydrophobicContact CZ-CB 4.13Å; F26-Q84 HydrophobicContact CZ-CG 4.31Å; F26-K85 WeakPolarHBondContact CD2-O 3.41Å
27	L	96.8	Very high	95.1	Very high	13 Å²	13	69.9 Å²	69.9	7%	0.068	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136	171.8	175.8	69.1	0	0	0	110.8	L21 I29 F70 Q84 K85 V88	L21-L27 HydrophobicContact CD1-CB 4.01Å; L21-L27 HydrophobicContact CD1-CD1 3.65Å; L21-L27 HydrophobicContact CD1-CG 4.46Å; L27-I29 HydrophobicContact CD1-CD1 4.12Å; L27-I29 HydrophobicContact CD1-CG1 3.75Å; L27-I29 HydrophobicContact CD2-CD1 4.26Å; L27-I29 HydrophobicContact CD2-CG1 4.36Å; L27-I29 HydrophobicContact CG-CD1 4.46Å; L27-I29 HydrophobicContact CG-CG1 4.06Å; L27-F70 HydrophobicContact CD2-CD1 4.12Å; L27-F70 HydrophobicContact CD2-CE1 3.56Å; L27-Q84 VanDerWaalsContact O-CA 3.28Å; L27-Q84 WeakPolarHBondContact O-CA 3.13Å; L27-K85 HydrophobicContact CB-CB 4.13Å; L27-K85 HydrophobicContact CD2-CB 4.32Å; L27-K85 PolarHBondContact N-O 2.88Å; L27-K85 PolarHBondContact O-N 3.19Å; L27-K85 VanDerWaalsContact O-N 3.09Å; L27-V88 HydrophobicContact CB-CG1 3.54Å; L27-V88 HydrophobicContact CD2-CG1 4.35Å; L27-V88 HydrophobicContact CG-CG1 4.48Å
28	F	97.3	Very high	95.4	Very high	81 Å²	81	74.6 Å²	74.6	36%	0.355	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	115.7	170	-169.3	-97	0	0	0	110.7	F26 N30 H82 L83 Q84	F26-F28 HydrophobicContact CD1-CB 4.24Å; F26-F28 HydrophobicContact CE1-CB 3.74Å; F26-F28 AromaticContact CE1-CD2 3.96Å; F26-F28 HydrophobicContact CE1-CD2 3.96Å; F26-F28 HydrophobicContact CE1-CG 4.27Å; F26-F28 HydrophobicContact CZ-CD2 4.26Å; F28-N30 WeakPolarHBondContact CE1-OD1 3.12Å; F28-H82 AromaticContact CE1-ND1 4Å; F28-H82 HydrophobicContact CE2-CB 3.95Å; F28-H82 HydrophobicContact CZ-CB 3.83Å; F28-H82 AromaticContact CZ-CG 3.72Å; F28-H82 AromaticContact CZ-ND1 3.79Å; F28-L83 CarbonylContact C-O 3.5Å; F28-L83 WeakPolarHBondContact CA-O 3.48Å; F28-Q84 HydrophobicContact CD2-CG 3.75Å; F28-Q84 HydrophobicContact CE2-CG 4.05Å
29	I	97.6	Very high	95.7	Very high	15 Å²	15	66.4 Å²	66.4	8%	0.077	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.2	176.9	-48.8	-176.1	0	0	0	109.5	Q14 M15 L27 C31 W43 H82 L83 Y96	Q14-I29 HydrophobicContact CG-CG2 4.24Å; M15-I29 HydrophobicContact CE-CG2 4.21Å; L27-I29 HydrophobicContact CD1-CD1 4.12Å; L27-I29 HydrophobicContact CD1-CG1 3.75Å; L27-I29 HydrophobicContact CD2-CD1 4.26Å; L27-I29 HydrophobicContact CD2-CG1 4.36Å; L27-I29 HydrophobicContact CG-CD1 4.46Å; L27-I29 HydrophobicContact CG-CG1 4.06Å; I29-C31 PolarHBondContact O-N 2.6Å; I29-W43 HydrophobicContact CB-CH2 3.97Å; I29-W43 HydrophobicContact CG2-CH2 3.59Å; I29-W43 HydrophobicContact CG2-CZ3 4.17Å; I29-H82 WeakPolarHBondContact O-CA 3.33Å; I29-L83 HydrophobicContact CB-CB 4.17Å; I29-L83 HydrophobicContact CD1-CD2 4.21Å; I29-L83 PolarHBondContact N-O 3.07Å; I29-L83 PolarHBondContact O-N 2.99Å; I29-Y96 HydrophobicContact CD1-CD2 3.79Å; I29-Y96 HydrophobicContact CD1-CG 3.76Å
30	N	97.9	Very high	96	Very high	66 Å²	66	64.3 Å²	64.3	35%	0.353	35%	0.35	S	S	.	.			trans	-71.6	127	178	-75.4	-48.2	0	0	0	112.3	Q14 M15 F28 H82	Q14-N30 WeakPolarHBondContact CA-O 3.37Å; Q14-N30 VanDerWaalsContact CG-O 3.28Å; Q14-N30 WeakPolarHBondContact CG-O 3.17Å; M15-N30 HydrophobicContact CB-CB 4.07Å; M15-N30 PolarHBondContact N-O 3.16Å; F28-N30 WeakPolarHBondContact CE1-OD1 3.12Å; N30-H82 WeakPolarHBondContact CA-ND1 3.45Å; N30-H82 PolarHBondContact OD1-CE1 2.87Å; N30-H82 PolarHBondContact OD1-ND1 2.82Å
31	C	98.1	Very high	96.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	126.5	165.3	176.6	0	0	0	0	110.1	V12 I13 I29 W43 S80 F81 C98	V12-C31 VanDerWaalsContact CG1-SG 3.56Å; I13-C31 WeakPolarHBondContact O-CA 3.43Å; I29-C31 PolarHBondContact O-N 2.6Å; C31-W43 HydrophobicContact CB-CH2 3.99Å; C31-W43 HydrophobicContact CB-CZ2 3.47Å; C31-W43 VanDerWaalsContact CB-CZ2 3.47Å; C31-S80 WeakPolarHBondContact O-CA 3.25Å; C31-F81 PolarHBondContact O-N 3.36Å; C31-C98 HydrophobicContact CB-CB 3.57Å; C31-C98 WeakPolarHBondContact CB-SG 3.4Å; C31-C98 WeakPolarHBondContact SG-CB 3.39Å; C31-C98 CovalentContact SG-SG 2.02Å; C31-C98 PolarHBondContact SG-SG 2.72Å
32	T	98	Very high	96.3	Very high	50 Å²	50	56.6 Å²	56.6	31%	0.307	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.6	168.4	58.1	0	0	0	0	109.9	V12 I13 T79	V12-T32 CarbonylContact C-O 3.59Å; V12-T32 WeakPolarHBondContact CA-O 3.38Å; I13-T32 PolarHBondContact N-O 2.82Å; I13-T32 PolarHBondContact O-N 2.94Å; T32-T79 CarbonylContact C-O 3.6Å; T32-T79 VanDerWaalsContact CA-O 3.26Å; T32-T79 WeakPolarHBondContact CA-O 3.46Å; T32-T79 WeakPolarHBondContact CB-O 3.27Å
33	Y	96.3	Very high	96.4	Very high	12 Å²	12	52.8 Å²	52.8	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156.7	177.3	65.9	-87.2	0	0	0	110.1	S11 T35 P39 L41 Y74 D75 K76 T79 M100	S11-Y33 CarbonylContact O-C 3.58Å; S11-Y33 VanDerWaalsContact O-CA 3.25Å; S11-Y33 WeakPolarHBondContact O-CA 3.28Å; Y33-T35 HydrophobicContact CD2-CG2 3.7Å; Y33-T35 HydrophobicContact CE2-CG2 3.78Å; Y33-P39 HydrophobicContact CD2-CG 4.14Å; Y33-P39 HydrophobicContact CE2-CG 4Å; Y33-L41 HydrophobicContact CD1-CD1 3.83Å; Y33-L41 HydrophobicContact CD1-CD2 3.96Å; Y33-L41 HydrophobicContact CE1-CD1 3.59Å; Y33-L41 HydrophobicContact CE1-CD2 4.44Å; Y33-L41 HydrophobicContact CG-CD2 4.09Å; Y33-Y74 HydrophobicContact CE1-CD2 4.29Å; Y33-Y74 HydrophobicContact CE1-CE2 4.28Å; Y33-Y74 AromaticContact CZ-CE2 3.79Å; Y33-Y74 WeakPolarHBondContact OH-CE2 3.05Å; Y33-D75 PolarHBondContact OH-O 2.86Å; Y33-K76 WeakPolarHBondContact OH-CA 2.95Å; Y33-T79 PolarHBondContact N-O 2.7Å; Y33-T79 WeakPolarHBondContact O-CB 3.43Å; Y33-M100 HydrophobicContact CD2-SD 4.24Å
34	S	96	Very high	96.5	Very high	37 Å²	37	51.2 Å²	51.2	26%	0.259	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.7	170.3	-175.7	0	0	0	0	107.6	D10 S11	D10-S34 CarbonylContact C-O 3.54Å; D10-S34 VanDerWaalsContact CA-O 3.25Å; D10-S34 WeakPolarHBondContact CA-O 3.26Å; S11-S34 PolarHBondContact N-O 2.97Å; S11-S34 PolarHBondContact O-N 2.79Å
35	T	93.6	Very high	96.5	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.221	24%	0.238	C	C	.	.			trans	-159.6	161.8	175.3	-175.1	0	0	0	0	109.9	D10 Y33 G37 P39 M100	D10-T35 VanDerWaalsContact OD1-CA 3.22Å; D10-T35 WeakPolarHBondContact OD1-CA 3.49Å; D10-T35 WeakPolarHBondContact OD1-CB 3.48Å; D10-T35 PolarHBondContact OD1-OG1 2.79Å; Y33-T35 HydrophobicContact CD2-CG2 3.7Å; Y33-T35 HydrophobicContact CE2-CG2 3.78Å; T35-G37 PolarHBondContact OG1-N 2.86Å; T35-P39 HydrophobicContact CG2-CB 4.4Å; T35-P39 HydrophobicContact CG2-CG 3.75Å; T35-M100 HydrophobicContact CG2-SD 4Å
36	T	89.8	Confident	96.5	Very high	132 Å²	132	45.1 Å²	45.1	81%	0.81	23%	0.233	S	C	*	.	S	Bend	trans	-90.6	-13.2	175.3	57.6	0	0	0	0	113.1
37	G	90.1	Very high	96.5	Very high	33 Å²	33	42 Å²	42	34%	0.34	22%	0.218	S	C	.	.	S	Bend	trans	-109.5	-156.6	-171.3	0	0	0	0	0	115.6	T35 P39	T35-G37 PolarHBondContact OG1-N 2.86Å; G37-P39 WeakPolarHBondContact O-CD 3.47Å
38	Y	93.9	Very high	96.4	Very high	170 Å²	170	47.5 Å²	47.5	67%	0.667	26%	0.257	S	S	*	.			trans	-112.2	84.5	172.6	-66.8	-90.8	0	0	0	108.3	A61 K76	Y38-A61 HydrophobicContact CD1-CB 4.38Å; Y38-K76 HydrophobicContact CD1-CD 4.36Å; Y38-K76 HydrophobicContact CE1-CD 3.87Å; Y38-K76 PolarHBondContact OH-NZ 3.3Å
39	P	96.1	Very high	96.3	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.032	28%	0.283	C	S	.	.			trans	-67.6	159.4	-177.2	29.9	-39.5	0	0	0	111.5	Y33 T35 G37 L41 Y74 M100 R101	Y33-P39 HydrophobicContact CD2-CG 4.14Å; Y33-P39 HydrophobicContact CE2-CG 4Å; T35-P39 HydrophobicContact CG2-CB 4.4Å; T35-P39 HydrophobicContact CG2-CG 3.75Å; G37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-L41 HydrophobicContact CB-CD2 4.05Å; P39-L41 HydrophobicContact CG-CD2 3.81Å; P39-L41 HydrophobicContact CG-CG 4.18Å; P39-Y74 WeakPolarHBondContact CD-OH 3.41Å; P39-Y74 WeakPolarHBondContact O-CE1 2.98Å; P39-M100 HydrophobicContact CB-CG 3.58Å; P39-M100 HydrophobicContact CB-SD 3.77Å; P39-M100 HydrophobicContact CG-CG 4.44Å; P39-M100 HydrophobicContact CG-SD 4.1Å; P39-R101 CarbonylContact C-O 3.57Å; P39-R101 VanDerWaalsContact CA-O 3.25Å; P39-R101 WeakPolarHBondContact CA-O 3.41Å
40	T	97.8	Very high	96.2	Very high	34 Å²	34	51.6 Å²	51.6	21%	0.209	30%	0.301	C	S	.	.			trans	-87	129	154.4	-53	0	0	0	0	108.7	F42 T59 M100 R101	T40-F42 HydrophobicContact CG2-CD2 4.39Å; T40-F42 HydrophobicContact CG2-CE1 3.8Å; T40-F42 HydrophobicContact CG2-CE2 3.6Å; T40-F42 HydrophobicContact CG2-CZ 3.26Å; T40-F42 WeakPolarHBondContact O-CD2 3.45Å; T40-F42 VanDerWaalsContact O-CE2 3.23Å; T40-F42 WeakPolarHBondContact O-CE2 3.49Å; T40-T59 HydrophobicContact CG2-CG2 3.56Å; T40-M100 WeakPolarHBondContact O-CA 3.41Å; T40-R101 PolarHBondContact N-O 3.39Å; T40-R101 PolarHBondContact O-N 2.8Å
41	L	98.4	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.6	-178.6	-58.4	174.8	0	0	0	110.1	Y33 P39 Q57 V58 Y74 F81 M100	Y33-L41 HydrophobicContact CD1-CD1 3.83Å; Y33-L41 HydrophobicContact CD1-CD2 3.96Å; Y33-L41 HydrophobicContact CE1-CD1 3.59Å; Y33-L41 HydrophobicContact CE1-CD2 4.44Å; Y33-L41 HydrophobicContact CG-CD2 4.09Å; P39-L41 HydrophobicContact CB-CD2 4.05Å; P39-L41 HydrophobicContact CG-CD2 3.81Å; P39-L41 HydrophobicContact CG-CG 4.18Å; L41-Q57 CarbonylContact O-C 3.58Å; L41-Q57 VanDerWaalsContact O-CA 3.23Å; L41-Q57 WeakPolarHBondContact O-CA 3.41Å; L41-V58 PolarHBondContact N-O 2.95Å; L41-V58 PolarHBondContact O-N 2.89Å; L41-Y74 HydrophobicContact CD1-CD1 4.11Å; L41-Y74 HydrophobicContact CD1-CD2 3.38Å; L41-Y74 HydrophobicContact CD1-CE2 3.94Å; L41-Y74 HydrophobicContact CD1-CG 3.54Å; L41-Y74 HydrophobicContact CG-CG 4.43Å; L41-F81 HydrophobicContact CB-CB 4.45Å; L41-F81 HydrophobicContact CB-CD1 3.59Å; L41-F81 HydrophobicContact CB-CD2 4.05Å; L41-F81 HydrophobicContact CB-CE1 3.67Å; L41-F81 HydrophobicContact CB-CE2 4.16Å; L41-F81 HydrophobicContact CB-CG 3.77Å; L41-F81 HydrophobicContact CB-CZ 3.97Å; L41-F81 HydrophobicContact CD1-CB 3.87Å; L41-F81 HydrophobicContact CD1-CD2 4Å; L41-F81 HydrophobicContact CD1-CG 3.9Å; L41-F81 HydrophobicContact CG-CG 4.43Å; L41-M100 HydrophobicContact CD2-CB 3.99Å; L41-M100 HydrophobicContact CD2-CG 4.39Å
42	F	98.6	Very high	96.1	Very high	26 Å²	26	54.3 Å²	54.3	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144	-173.2	-53.8	-95.1	0	0	0	110.8	T40 Y44 L54 L56 Q57 C98 A99 R101	T40-F42 HydrophobicContact CG2-CD2 4.39Å; T40-F42 HydrophobicContact CG2-CE1 3.8Å; T40-F42 HydrophobicContact CG2-CE2 3.6Å; T40-F42 HydrophobicContact CG2-CZ 3.26Å; T40-F42 WeakPolarHBondContact O-CD2 3.45Å; T40-F42 VanDerWaalsContact O-CE2 3.23Å; T40-F42 WeakPolarHBondContact O-CE2 3.49Å; F42-Y44 HydrophobicContact CB-CD2 4.1Å; F42-Y44 HydrophobicContact CB-CE2 3.61Å; F42-Y44 HydrophobicContact CD1-CE2 4.5Å; F42-Y44 HydrophobicContact CG-CE2 4.16Å; F42-L54 HydrophobicContact CB-CD1 4.39Å; F42-L54 HydrophobicContact CD1-CD1 3.84Å; F42-L56 WeakPolarHBondContact CA-O 3.49Å; F42-Q57 HydrophobicContact CD1-CB 3.57Å; F42-Q57 HydrophobicContact CE1-CB 3.84Å; F42-Q57 HydrophobicContact CG-CB 4.42Å; F42-C98 WeakPolarHBondContact O-CA 3.23Å; F42-A99 HydrophobicContact CB-CB 4.34Å; F42-A99 PolarHBondContact N-O 2.89Å; F42-A99 PolarHBondContact O-N 3.44Å; F42-R101 HydrophobicContact CE2-CB 3.85Å; F42-R101 HydrophobicContact CZ-CB 4.48Å
43	W	98.6	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	157.5	-82.5	100.2	0	0	0	109	Q14 I29 C31 L55 L56 F81 L83 Y97 C98	Q14-W43 HydrophobicContact CG-CH2 4.26Å; I29-W43 HydrophobicContact CB-CH2 3.97Å; I29-W43 HydrophobicContact CG2-CH2 3.59Å; I29-W43 HydrophobicContact CG2-CZ3 4.17Å; C31-W43 HydrophobicContact CB-CH2 3.99Å; C31-W43 HydrophobicContact CB-CZ2 3.47Å; C31-W43 VanDerWaalsContact CB-CZ2 3.47Å; W43-L55 HydrophobicContact CB-CB 4.3Å; W43-L55 HydrophobicContact CB-CD2 4.38Å; W43-L55 WeakPolarHBondContact O-CA 3.48Å; W43-L55 WeakPolarHBondContact O-CB 3.19Å; W43-L55 PolarHBondContact O-N 2.93Å; W43-L56 HydrophobicContact CB-CD1 4.06Å; W43-L56 HydrophobicContact CB-CG 4.13Å; W43-L56 HydrophobicContact CG-CD1 4.32Å; W43-L56 PolarHBondContact N-O 3.29Å; W43-L56 PolarHBondContact O-N 2.85Å; W43-F81 AromaticContact CD1-CD1 3.43Å; W43-F81 VanDerWaalsContact CD1-CD1 3.43Å; W43-F81 AromaticContact CD1-CE1 3.21Å; W43-F81 HydrophobicContact CG-CD1 4.47Å; W43-F81 HydrophobicContact CG-CE1 4.2Å; W43-F81 WeakPolarHBondContact CZ2-O 3.49Å; W43-F81 AromaticContact NE1-CD1 3.35Å; W43-F81 AromaticContact NE1-CE1 3.67Å; W43-F81 PolarHBondContact NE1-O 2.66Å; W43-L83 HydrophobicContact CB-CD1 4.26Å; W43-L83 HydrophobicContact CD2-CB 3.91Å; W43-L83 HydrophobicContact CD2-CD1 4.15Å; W43-L83 HydrophobicContact CD2-CD2 4.04Å; W43-L83 HydrophobicContact CD2-CG 4.26Å; W43-L83 HydrophobicContact CE3-CB 4.38Å; W43-L83 HydrophobicContact CE3-CD2 4.02Å; W43-L83 HydrophobicContact CG-CB 4.4Å; W43-L83 HydrophobicContact CG-CD1 3.79Å; W43-L83 HydrophobicContact CG-CD2 4.38Å; W43-L83 HydrophobicContact CG-CG 4.42Å; W43-L83 HydrophobicContact CH2-CB 4.13Å; W43-L83 HydrophobicContact CZ2-CB 3.63Å; W43-L83 HydrophobicContact CZ3-CB 4.48Å; W43-L83 HydrophobicContact CZ3-CD2 4.46Å; W43-Y97 CarbonylContact C-O 3.54Å; W43-Y97 WeakPolarHBondContact CA-O 3.13Å; W43-Y97 VanDerWaalsContact CE3-C 3.45Å; W43-C98 HydrophobicContact CD2-CB 4.27Å; W43-C98 HydrophobicContact CE3-CB 4.16Å; W43-C98 HydrophobicContact CH2-CB 3.7Å; W43-C98 HydrophobicContact CZ2-CB 3.8Å; W43-C98 HydrophobicContact CZ3-CB 3.88Å
44	Y	98.5	Very high	96.2	Very high	76 Å²	76	58.9 Å²	58.9	30%	0.298	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.9	167.5	-68.2	-98.7	0	0	0	109.4	F42 P52 Q53 L54 Y96 Y97 A99	F42-Y44 HydrophobicContact CB-CD2 4.1Å; F42-Y44 HydrophobicContact CB-CE2 3.61Å; F42-Y44 HydrophobicContact CD1-CE2 4.5Å; F42-Y44 HydrophobicContact CG-CE2 4.16Å; Y44-P52 HydrophobicContact CD1-CB 4.28Å; Y44-Q53 CarbonylContact C-O 3.59Å; Y44-Q53 WeakPolarHBondContact CA-O 3.34Å; Y44-Q53 WeakPolarHBondContact CB-O 3.31Å; Y44-Q53 VanDerWaalsContact CD1-C 3.48Å; Y44-Q53 WeakPolarHBondContact CD1-O 3.41Å; Y44-L54 HydrophobicContact CD1-CB 4.45Å; Y44-L54 HydrophobicContact CE1-CB 4.15Å; Y44-L54 HydrophobicContact CE1-CD1 4.34Å; Y44-L54 HydrophobicContact CE2-CD1 4.5Å; Y44-Y96 CarbonylContact O-C 3.59Å; Y44-Y96 WeakPolarHBondContact O-CA 3.45Å; Y44-Y97 PolarHBondContact N-O 2.96Å; Y44-Y97 PolarHBondContact O-N 2.89Å; Y44-A99 HydrophobicContact CD2-CB 4.45Å; Y44-A99 HydrophobicContact CE2-CB 4.31Å
45	V	98.3	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.9	169.2	64.8	0	0	0	0	109.1	Y47 Q53 L55 A94 V95 Y96	V45-Y47 HydrophobicContact CG1-CE2 4.09Å; V45-Y47 HydrophobicContact CG2-CE1 4.21Å; V45-Y47 HydrophobicContact CG2-CE2 4.33Å; V45-Q53 HydrophobicContact CG1-CB 4.48Å; V45-Q53 PolarHBondContact N-O 3.36Å; V45-Q53 PolarHBondContact O-N 2.84Å; V45-L55 HydrophobicContact CB-CB 4.42Å; V45-L55 HydrophobicContact CG1-CB 4.25Å; V45-A94 HydrophobicContact CG2-CB 3.41Å; V45-A94 VanDerWaalsContact CG2-CB 3.41Å; V45-V95 CarbonylContact C-O 3.5Å; V45-V95 WeakPolarHBondContact CA-O 3.47Å; V45-Y96 HydrophobicContact CB-CD1 4.11Å; V45-Y96 HydrophobicContact CB-CE1 4.02Å; V45-Y96 HydrophobicContact CG2-CD1 4.02Å; V45-Y96 HydrophobicContact CG2-CE1 3.62Å
46	Q	98.1	Very high	96.6	Very high	53 Å²	53	56.1 Å²	56.1	25%	0.248	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	109.5	176.1	-175	177.6	3	0	0	109.1	E50 A94 V95 Y97	Q46-E50 VanDerWaalsContact CG-O 3.26Å; Q46-E50 WeakPolarHBondContact CG-O 3.5Å; Q46-E50 PolarHBondContact NE2-O 2.91Å; Q46-A94 WeakPolarHBondContact O-CB 3.21Å; Q46-V95 HydrophobicContact CB-CB 4.46Å; Q46-V95 PolarHBondContact N-O 2.93Å; Q46-V95 PolarHBondContact O-N 2.79Å; Q46-Y97 HydrophobicContact CB-CD2 4.48Å; Q46-Y97 HydrophobicContact CB-CE2 3.81Å; Q46-Y97 VanDerWaalsContact OE1-CE2 3.31Å; Q46-Y97 PolarHBondContact OE1-OH 3.24Å; Q46-Y97 VanDerWaalsContact OE1-OH 3.14Å
47	Y	96.6	Very high	97	Very high	42 Å²	42	54.6 Å²	54.6	17%	0.165	32%	0.315	C	S	.	.			trans	-76.3	158.1	171.8	-61.5	-69.8	0	0	0	110.9	V45 G49 E50 R68 I91 A94	V45-Y47 HydrophobicContact CG1-CE2 4.09Å; V45-Y47 HydrophobicContact CG2-CE1 4.21Å; V45-Y47 HydrophobicContact CG2-CE2 4.33Å; Y47-G49 PolarHBondContact O-N 3.05Å; Y47-E50 WeakPolarHBondContact CD2-OE2 3.43Å; Y47-E50 PolarHBondContact O-N 3.48Å; Y47-R68 PolarHBondContact OH-NH1 2.82Å; Y47-I91 VanDerWaalsContact CE1-O 3.28Å; Y47-I91 WeakPolarHBondContact CE1-O 3.37Å; Y47-A94 HydrophobicContact CD1-CB 3.68Å; Y47-A94 HydrophobicContact CE1-CB 3.84Å; Y47-A94 HydrophobicContact CG-CB 4.49Å
48	S	94.7	Very high	97.4	Very high	127 Å²	127	53.5 Å²	53.5	89%	0.888	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	125.7	179.5	-170	0	0	0	0	111	E50	S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 3.37Å
49	G	95.4	Very high	97.6	Very high	88 Å²	88	49.1 Å²	49.1	91%	0.907	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-2.2	-178.7	0	0	0	0	0	115.4	Y47	Y47-G49 PolarHBondContact O-N 3.05Å
50	E	95.8	Very high	97.7	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-106	165.4	178.3	-60.4	-171.6	175.1	0	0	112.1	Q46 Y47 S48 Q53	Q46-E50 VanDerWaalsContact CG-O 3.26Å; Q46-E50 WeakPolarHBondContact CG-O 3.5Å; Q46-E50 PolarHBondContact NE2-O 2.91Å; Y47-E50 WeakPolarHBondContact CD2-OE2 3.43Å; Y47-E50 PolarHBondContact O-N 3.48Å; S48-E50 VanDerWaalsContact C-N 3.26Å; S48-E50 PolarHBondContact O-N 3.37Å; E50-Q53 PolarHBondContact OE2-NE2 3.07Å
51	G	96.6	Very high	97.6	Very high	45 Å²	45	51.8 Å²	51.8	46%	0.464	31%	0.312	S	S	.	.			trans	-83.2	164.1	168.6	0	0	0	0	0	112.2	Q53	G51-Q53 PolarHBondContact O-N 3.11Å
52	P	97.6	Very high	97.6	Very high	79 Å²	79	56.8 Å²	56.8	51%	0.513	34%	0.339	S	S	.	.			trans	-58.5	130.5	174.8	-23.6	33.8	0	0	0	112.4	Y44	Y44-P52 HydrophobicContact CD1-CB 4.28Å
53	Q	98.3	Very high	97.6	Very high	77 Å²	77	59.6 Å²	59.6	36%	0.36	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.5	178	-64.5	171.8	17	0	0	110	Y44 V45 E50 G51 L55	Y44-Q53 CarbonylContact C-O 3.59Å; Y44-Q53 WeakPolarHBondContact CA-O 3.34Å; Y44-Q53 WeakPolarHBondContact CB-O 3.31Å; Y44-Q53 VanDerWaalsContact CD1-C 3.48Å; Y44-Q53 WeakPolarHBondContact CD1-O 3.41Å; V45-Q53 HydrophobicContact CG1-CB 4.48Å; V45-Q53 PolarHBondContact N-O 3.36Å; V45-Q53 PolarHBondContact O-N 2.84Å; E50-Q53 PolarHBondContact OE2-NE2 3.07Å; G51-Q53 PolarHBondContact O-N 3.11Å; Q53-L55 PolarHBondContact O-N 3.05Å; Q53-L55 VanDerWaalsContact O-N 3.16Å
54	L	98.4	Very high	97.5	Very high	82 Å²	82	65.1 Å²	65.1	43%	0.429	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	119.2	175.4	-179.5	64.2	0	0	0	109.6	F42 Y44 Q57	F42-L54 HydrophobicContact CB-CD1 4.39Å; F42-L54 HydrophobicContact CD1-CD1 3.84Å; Y44-L54 HydrophobicContact CD1-CB 4.45Å; Y44-L54 HydrophobicContact CE1-CB 4.15Å; Y44-L54 HydrophobicContact CE1-CD1 4.34Å; Y44-L54 HydrophobicContact CE2-CD1 4.5Å; L54-Q57 HydrophobicContact CD1-CB 4.39Å
55	L	98.5	Very high	97.5	Very high	6 Å²	6	62 Å²	62	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-55.4	173.2	177.4	60	0	0	0	110	W43 V45 Q53 S67 F70 L83 Y96	W43-L55 HydrophobicContact CB-CB 4.3Å; W43-L55 HydrophobicContact CB-CD2 4.38Å; W43-L55 WeakPolarHBondContact O-CA 3.48Å; W43-L55 WeakPolarHBondContact O-CB 3.19Å; W43-L55 PolarHBondContact O-N 2.93Å; V45-L55 HydrophobicContact CB-CB 4.42Å; V45-L55 HydrophobicContact CG1-CB 4.25Å; Q53-L55 PolarHBondContact O-N 3.05Å; Q53-L55 VanDerWaalsContact O-N 3.16Å; L55-S67 WeakPolarHBondContact O-CB 3.28Å; L55-S67 PolarHBondContact O-OG 3.16Å; L55-F70 HydrophobicContact CD1-CD2 3.87Å; L55-F70 HydrophobicContact CD1-CE2 4.45Å; L55-F70 HydrophobicContact CD1-CG 4.34Å; L55-F70 HydrophobicContact CD2-CB 4.02Å; L55-F70 HydrophobicContact CD2-CD1 4.13Å; L55-F70 HydrophobicContact CD2-CD2 4.07Å; L55-F70 HydrophobicContact CD2-CG 3.81Å; L55-F70 HydrophobicContact CG-CB 4.47Å; L55-L83 HydrophobicContact CD2-CD1 4.1Å; L55-L83 HydrophobicContact CD2-CD2 3.93Å; L55-Y96 HydrophobicContact CD2-CD1 4.08Å; L55-Y96 HydrophobicContact CD2-CE1 3.99Å
56	L	98.4	Very high	97.5	Very high	9 Å²	9	66 Å²	66	5%	0.047	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	159.7	176.8	57.2	80.9	0	0	0	111.4	F42 W43 F70 A72 F81 L83	F42-L56 WeakPolarHBondContact CA-O 3.49Å; W43-L56 HydrophobicContact CB-CD1 4.06Å; W43-L56 HydrophobicContact CB-CG 4.13Å; W43-L56 HydrophobicContact CG-CD1 4.32Å; W43-L56 PolarHBondContact N-O 3.29Å; W43-L56 PolarHBondContact O-N 2.85Å; L56-F70 HydrophobicContact CD2-CB 4.34Å; L56-A72 HydrophobicContact CD1-CB 3.84Å; L56-A72 HydrophobicContact CD2-CB 4.41Å; L56-F81 HydrophobicContact CD1-CE1 3.91Å; L56-F81 HydrophobicContact CD1-CZ 3.51Å; L56-L83 HydrophobicContact CD2-CD1 4.02Å
57	Q	98.3	Very high	97.6	Very high	100 Å²	100	65.4 Å²	65.4	47%	0.467	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149	173.7	65	173	65.6	0	0	111.3	L41 F42 L54	L41-Q57 CarbonylContact O-C 3.58Å; L41-Q57 VanDerWaalsContact O-CA 3.23Å; L41-Q57 WeakPolarHBondContact O-CA 3.41Å; F42-Q57 HydrophobicContact CD1-CB 3.57Å; F42-Q57 HydrophobicContact CE1-CB 3.84Å; F42-Q57 HydrophobicContact CG-CB 4.42Å; L54-Q57 HydrophobicContact CD1-CB 4.39Å
58	V	98.6	Very high	97.6	Very high	10 Å²	10	68.8 Å²	68.8	6%	0.061	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	125.7	174.2	-175.2	0	0	0	0	109.4	L41 T60 N63 G65 Y74 F81	L41-V58 PolarHBondContact N-O 2.95Å; L41-V58 PolarHBondContact O-N 2.89Å; V58-T60 WeakPolarHBondContact CG1-O 3.25Å; V58-N63 HydrophobicContact CG1-CB 3.99Å; V58-G65 VanDerWaalsContact CG2-N 3.35Å; V58-Y74 HydrophobicContact CG1-CD1 4.23Å; V58-F81 HydrophobicContact CB-CE2 3.87Å; V58-F81 HydrophobicContact CB-CZ 4.07Å; V58-F81 HydrophobicContact CG2-CE2 3.66Å; V58-F81 HydrophobicContact CG2-CZ 3.78Å
59	T	97.9	Very high	97.7	Very high	78 Å²	78	65.1 Å²	65.1	48%	0.479	39%	0.394	S	S	.	.			trans	-100.6	-24.7	-179	53.3	0	0	0	0	113	T40	T40-T59 HydrophobicContact CG2-CG2 3.56Å
60	T	97.8	Very high	97.9	Very high	72 Å²	72	60.9 Å²	60.9	44%	0.442	35%	0.351	S	S	.	.	S	Bend	trans	-104	125.4	-171.6	-53.6	0	0	0	0	109.9	V58 N62 N63 Y74	V58-T60 WeakPolarHBondContact CG1-O 3.25Å; T60-N62 PolarHBondContact O-N 2.81Å; T60-N63 VanDerWaalsContact CB-ND2 3.33Å; T60-N63 WeakPolarHBondContact CB-ND2 3.43Å; T60-N63 WeakPolarHBondContact O-CB 3.25Å; T60-N63 PolarHBondContact O-N 2.82Å; T60-N63 VanDerWaalsContact O-N 3.16Å; T60-Y74 VanDerWaalsContact C-CD1 3.43Å; T60-Y74 WeakPolarHBondContact O-CD1 3.23Å
61	A	96.8	Very high	98	Very high	23 Å²	23	59.5 Å²	59.5	19%	0.19	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	138.2	176.7	0	0	0	0	0	111.3	Y38 N63 Y74 K76	Y38-A61 HydrophobicContact CD1-CB 4.38Å; A61-N63 PolarHBondContact O-N 2.87Å; A61-Y74 HydrophobicContact CB-CD1 4.48Å; A61-Y74 HydrophobicContact CB-CE1 4.03Å; A61-Y74 HydrophobicContact CB-CE2 4.21Å; A61-K76 HydrophobicContact CB-CB 4.07Å; A61-K76 HydrophobicContact CB-CD 4.15Å
62	N	97.4	Very high	98.1	Very high	106 Å²	106	57.4 Å²	57.4	57%	0.567	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	9.6	-178.5	-47.7	-43.8	0	0	0	115.3	T60 Y74 K76	T60-N62 PolarHBondContact O-N 2.81Å; N62-Y74 WeakPolarHBondContact CA-O 3.38Å; N62-Y74 PolarHBondContact N-O 2.9Å; N62-K76 PolarHBondContact OD1-N 2.9Å
63	N	98.3	Very high	98.2	Very high	84 Å²	84	56.5 Å²	56.5	45%	0.449	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-86.5	155.9	169.2	-74.3	2.2	0	0	0	111.5	V58 T60 A61 Y74	V58-N63 HydrophobicContact CG1-CB 3.99Å; T60-N63 VanDerWaalsContact CB-ND2 3.33Å; T60-N63 WeakPolarHBondContact CB-ND2 3.43Å; T60-N63 WeakPolarHBondContact O-CB 3.25Å; T60-N63 PolarHBondContact O-N 2.82Å; T60-N63 VanDerWaalsContact O-N 3.16Å; A61-N63 PolarHBondContact O-N 2.87Å; N63-Y74 PolarHBondContact O-N 2.95Å
64	K	98.4	Very high	98.2	Very high	117 Å²	117	52.9 Å²	52.9	51%	0.509	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	134.2	173.8	-171.5	173.3	75.6	162.1	0	110.2	E71 A72	K64-E71 HydrophobicContact CD-CB 4.29Å; K64-E71 IonicContact NZ-OE1 2.86Å; K64-E71 PolarHBondContact NZ-OE1 3.46Å; K64-E71 IonicContact NZ-OE2 2.8Å; K64-E71 PolarHBondContact NZ-OE2 3.03Å; K64-A72 WeakPolarHBondContact CA-O 3.4Å
65	G	98.3	Very high	98.1	Very high	11 Å²	11	51.3 Å²	51.3	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	150.3	166.9	0	0	0	0	0	110.3	V58 E71 A72	V58-G65 VanDerWaalsContact CG2-N 3.35Å; G65-E71 WeakPolarHBondContact O-CA 3.43Å; G65-A72 PolarHBondContact N-O 2.85Å; G65-A72 PolarHBondContact O-N 3.07Å
66	S	98.4	Very high	98	Very high	83 Å²	83	54.9 Å²	54.9	58%	0.58	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.5	174.4	62.7	0	0	0	0	112.2	F70	S66-F70 CarbonylContact C-O 3.5Å; S66-F70 WeakPolarHBondContact CA-O 3.33Å; S66-F70 WeakPolarHBondContact CB-O 3.25Å
67	S	98.4	Very high	97.9	Very high	41 Å²	41	57.9 Å²	57.9	29%	0.287	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	134.9	178.3	178.7	0	0	0	0	109.9	L55 G69 F70	L55-S67 WeakPolarHBondContact O-CB 3.28Å; L55-S67 PolarHBondContact O-OG 3.16Å; S67-G69 PolarHBondContact O-N 2.02Å; S67-G69 VanDerWaalsContact O-N 3.07Å; S67-F70 PolarHBondContact N-O 2.78Å; S67-F70 WeakPolarHBondContact O-CA 3.28Å; S67-F70 WeakPolarHBondContact O-CB 3.43Å; S67-F70 WeakPolarHBondContact O-CD2 3.41Å; S67-F70 PolarHBondContact O-N 2.78Å
68	R	96.9	Very high	97.9	Very high	112 Å²	112	56.8 Å²	56.8	42%	0.423	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	33.9	178.5	-62.2	-174.1	-75	-173	-13.4	114.6	Y47 F70 K85	Y47-R68 PolarHBondContact OH-NH1 2.82Å; R68-F70 HydrophobicContact CB-CD2 4.18Å; R68-F70 HydrophobicContact CB-CE2 4.49Å; R68-F70 WeakPolarHBondContact O-CD2 3.05Å; R68-F70 PolarHBondContact O-N 3.47Å; R68-K85 PolarHBondContact O-NZ 3.37Å
69	G	97.6	Very high	97.8	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-2	-177.2	0	0	0	0	0	115	S67	S67-G69 PolarHBondContact O-N 2.02Å; S67-G69 VanDerWaalsContact O-N 3.07Å
70	F	98.6	Very high	97.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	146.7	168.7	-62.4	-94.7	0	0	0	110.4	L27 L55 L56 S66 S67 R68 L83 Q84 K85 D92 Y96	L27-F70 HydrophobicContact CD2-CD1 4.12Å; L27-F70 HydrophobicContact CD2-CE1 3.56Å; L55-F70 HydrophobicContact CD1-CD2 3.87Å; L55-F70 HydrophobicContact CD1-CE2 4.45Å; L55-F70 HydrophobicContact CD1-CG 4.34Å; L55-F70 HydrophobicContact CD2-CB 4.02Å; L55-F70 HydrophobicContact CD2-CD1 4.13Å; L55-F70 HydrophobicContact CD2-CD2 4.07Å; L55-F70 HydrophobicContact CD2-CG 3.81Å; L55-F70 HydrophobicContact CG-CB 4.47Å; L56-F70 HydrophobicContact CD2-CB 4.34Å; S66-F70 CarbonylContact C-O 3.5Å; S66-F70 WeakPolarHBondContact CA-O 3.33Å; S66-F70 WeakPolarHBondContact CB-O 3.25Å; S67-F70 PolarHBondContact N-O 2.78Å; S67-F70 WeakPolarHBondContact O-CA 3.28Å; S67-F70 WeakPolarHBondContact O-CB 3.43Å; S67-F70 WeakPolarHBondContact O-CD2 3.41Å; S67-F70 PolarHBondContact O-N 2.78Å; R68-F70 HydrophobicContact CB-CD2 4.18Å; R68-F70 HydrophobicContact CB-CE2 4.49Å; R68-F70 WeakPolarHBondContact O-CD2 3.05Å; R68-F70 PolarHBondContact O-N 3.47Å; F70-L83 HydrophobicContact CB-CD1 3.92Å; F70-L83 HydrophobicContact CB-CG 4.49Å; F70-L83 HydrophobicContact CD1-CD1 4.26Å; F70-L83 HydrophobicContact CD1-CD2 3.8Å; F70-L83 HydrophobicContact CD1-CG 3.96Å; F70-L83 HydrophobicContact CE1-CD2 4.31Å; F70-Q84 CarbonylContact C-O 3.49Å; F70-Q84 VanDerWaalsContact CA-O 3.25Å; F70-Q84 WeakPolarHBondContact CA-O 3.34Å; F70-K85 HydrophobicContact CD1-CB 3.82Å; F70-K85 HydrophobicContact CD1-CD 3.94Å; F70-K85 HydrophobicContact CD1-CG 4.5Å; F70-K85 HydrophobicContact CD2-CD 3.95Å; F70-K85 HydrophobicContact CE1-CB 4.03Å; F70-K85 HydrophobicContact CE1-CD 3.68Å; F70-K85 HydrophobicContact CE2-CD 3.66Å; F70-K85 HydrophobicContact CG-CB 4.36Å; F70-K85 HydrophobicContact CG-CD 4.07Å; F70-K85 HydrophobicContact CZ-CD 3.51Å; F70-D92 WeakPolarHBondContact CE2-OD1 3.07Å; F70-D92 HydrophobicContact CZ-CB 4.06Å; F70-D92 WeakPolarHBondContact CZ-OD1 3.36Å; F70-Y96 HydrophobicContact CD1-CE1 4.29Å; F70-Y96 AromaticContact CE1-CE1 3.6Å; F70-Y96 HydrophobicContact CE1-CE1 3.6Å; F70-Y96 AromaticContact CE1-CZ 3.78Å; F70-Y96 AromaticContact CZ-CE1 3.8Å; F70-Y96 HydrophobicContact CZ-CE1 3.8Å; F70-Y96 AromaticContact CZ-CZ 3.8Å; F70-Y96 WeakPolarHBondContact CZ-OH 3.34Å
71	E	98.8	Very high	97.8	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	176.7	-55.6	-163.8	143.6	0	0	110.7	K64 G65 L83 Q84	K64-E71 HydrophobicContact CD-CB 4.29Å; K64-E71 IonicContact NZ-OE1 2.86Å; K64-E71 PolarHBondContact NZ-OE1 3.46Å; K64-E71 IonicContact NZ-OE2 2.8Å; K64-E71 PolarHBondContact NZ-OE2 3.03Å; G65-E71 WeakPolarHBondContact O-CA 3.43Å; E71-L83 CarbonylContact O-C 3.52Å; E71-Q84 PolarHBondContact N-O 3.43Å; E71-Q84 PolarHBondContact O-N 2.97Å
72	A	98.7	Very high	97.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.1	168.3	0	0	0	0	0	110.3	L56 K64 G65 F81 H82 L83	L56-A72 HydrophobicContact CD1-CB 3.84Å; L56-A72 HydrophobicContact CD2-CB 4.41Å; K64-A72 WeakPolarHBondContact CA-O 3.4Å; G65-A72 PolarHBondContact N-O 2.85Å; G65-A72 PolarHBondContact O-N 3.07Å; A72-F81 HydrophobicContact CB-CD1 4.46Å; A72-F81 HydrophobicContact CB-CD2 3.91Å; A72-F81 HydrophobicContact CB-CE1 4.17Å; A72-F81 HydrophobicContact CB-CE2 3.55Å; A72-F81 HydrophobicContact CB-CG 4.35Å; A72-F81 HydrophobicContact CB-CZ 3.71Å; A72-H82 WeakPolarHBondContact CA-O 3.43Å; A72-H82 WeakPolarHBondContact CB-O 3.33Å; A72-L83 HydrophobicContact CB-CD1 4.33Å
73	T	98.8	Very high	98	Very high	61 Å²	61	48.2 Å²	48.2	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.6	177.5	-59.4	0	0	0	0	109	D75 F81	T73-D75 VanDerWaalsContact C-N 3.29Å; T73-D75 PolarHBondContact O-N 3.41Å; T73-F81 WeakPolarHBondContact O-CD2 3.45Å
74	Y	98.4	Very high	98	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	28%	0.279	C	S	.	.			trans	-73.5	87	169.7	173.6	-177	0	0	0	107.9	Y33 P39 L41 V58 T60 A61 N62 N63 K76	Y33-Y74 HydrophobicContact CE1-CD2 4.29Å; Y33-Y74 HydrophobicContact CE1-CE2 4.28Å; Y33-Y74 AromaticContact CZ-CE2 3.79Å; Y33-Y74 WeakPolarHBondContact OH-CE2 3.05Å; P39-Y74 WeakPolarHBondContact CD-OH 3.41Å; P39-Y74 WeakPolarHBondContact O-CE1 2.98Å; L41-Y74 HydrophobicContact CD1-CD1 4.11Å; L41-Y74 HydrophobicContact CD1-CD2 3.38Å; L41-Y74 HydrophobicContact CD1-CE2 3.94Å; L41-Y74 HydrophobicContact CD1-CG 3.54Å; L41-Y74 HydrophobicContact CG-CG 4.43Å; V58-Y74 HydrophobicContact CG1-CD1 4.23Å; T60-Y74 VanDerWaalsContact C-CD1 3.43Å; T60-Y74 WeakPolarHBondContact O-CD1 3.23Å; A61-Y74 HydrophobicContact CB-CD1 4.48Å; A61-Y74 HydrophobicContact CB-CE1 4.03Å; A61-Y74 HydrophobicContact CB-CE2 4.21Å; N62-Y74 WeakPolarHBondContact CA-O 3.38Å; N62-Y74 PolarHBondContact N-O 2.9Å; N63-Y74 PolarHBondContact O-N 2.95Å; Y74-K76 HydrophobicContact CE2-CB 4.2Å; Y74-K76 PolarHBondContact O-N 2.8Å
75	D	98.1	Very high	98	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.262	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-86.5	112.1	176.3	-174.2	-19.2	0	0	0	110	Y33 T73 G77 T78 T79 S80	Y33-D75 PolarHBondContact OH-O 2.86Å; T73-D75 VanDerWaalsContact C-N 3.29Å; T73-D75 PolarHBondContact O-N 3.41Å; D75-G77 WeakPolarHBondContact OD1-CA 3.45Å; D75-G77 PolarHBondContact OD1-N 3.09Å; D75-T78 WeakPolarHBondContact CB-OG1 3.34Å; D75-T78 PolarHBondContact OD1-N 2.82Å; D75-T78 PolarHBondContact OD1-OG1 2.85Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.33Å; D75-T78 PolarHBondContact OD2-OG1 2.99Å; D75-T79 WeakPolarHBondContact O-CA 3.48Å; D75-T79 PolarHBondContact O-N 2.86Å; D75-S80 PolarHBondContact N-O 3.06Å; D75-S80 PolarHBondContact O-N 3.21Å
76	K	96	Very high	98	Very high	80 Å²	80	47.7 Å²	47.7	35%	0.348	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.5	177.3	-168.9	-177.9	178.8	-166.1	0	112.5	Y33 Y38 A61 N62 Y74	Y33-K76 WeakPolarHBondContact OH-CA 2.95Å; Y38-K76 HydrophobicContact CD1-CD 4.36Å; Y38-K76 HydrophobicContact CE1-CD 3.87Å; Y38-K76 PolarHBondContact OH-NZ 3.3Å; A61-K76 HydrophobicContact CB-CB 4.07Å; A61-K76 HydrophobicContact CB-CD 4.15Å; N62-K76 PolarHBondContact OD1-N 2.9Å; Y74-K76 HydrophobicContact CE2-CB 4.2Å; Y74-K76 PolarHBondContact O-N 2.8Å
77	G	96.3	Very high	97.9	Very high	72 Å²	72	45.7 Å²	45.7	74%	0.742	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-42.2	-178.8	0	0	0	0	0	112.1	D75	D75-G77 WeakPolarHBondContact OD1-CA 3.45Å; D75-G77 PolarHBondContact OD1-N 3.09Å
78	T	97.2	Very high	97.9	Very high	77 Å²	77	44.3 Å²	44.3	47%	0.472	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	0.1	177.6	62.6	0	0	0	0	113.7	D75 S80	D75-T78 WeakPolarHBondContact CB-OG1 3.34Å; D75-T78 PolarHBondContact OD1-N 2.82Å; D75-T78 PolarHBondContact OD1-OG1 2.85Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.33Å; D75-T78 PolarHBondContact OD2-OG1 2.99Å; T78-S80 VanDerWaalsContact C-N 3.32Å; T78-S80 PolarHBondContact O-N 3.33Å; T78-S80 PolarHBondContact OG1-OG 2.88Å
79	T	97.1	Very high	97.9	Very high	65 Å²	65	44.3 Å²	44.3	40%	0.399	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	49.1	-175.4	56.9	0	0	0	0	112.5	T32 Y33 D75	T32-T79 CarbonylContact C-O 3.6Å; T32-T79 VanDerWaalsContact CA-O 3.26Å; T32-T79 WeakPolarHBondContact CA-O 3.46Å; T32-T79 WeakPolarHBondContact CB-O 3.27Å; Y33-T79 PolarHBondContact N-O 2.7Å; Y33-T79 WeakPolarHBondContact O-CB 3.43Å; D75-T79 WeakPolarHBondContact O-CA 3.48Å; D75-T79 PolarHBondContact O-N 2.86Å
80	S	98.1	Very high	97.8	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.028	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-131.9	158.8	-171.9	75	0	0	0	0	114.7	C31 D75 T78 H82	C31-S80 WeakPolarHBondContact O-CA 3.25Å; D75-S80 PolarHBondContact N-O 3.06Å; D75-S80 PolarHBondContact O-N 3.21Å; T78-S80 VanDerWaalsContact C-N 3.32Å; T78-S80 PolarHBondContact O-N 3.33Å; T78-S80 PolarHBondContact OG1-OG 2.88Å; S80-H82 VanDerWaalsContact CB-CD2 3.47Å; S80-H82 WeakPolarHBondContact CB-CD2 3.28Å; S80-H82 WeakPolarHBondContact CB-NE2 3.44Å; S80-H82 PolarHBondContact OG-CD2 2.97Å; S80-H82 VanDerWaalsContact OG-CD2 3.31Å; S80-H82 PolarHBondContact OG-NE2 3.17Å
81	F	98.4	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.			trans	-148.8	51.7	177.1	-164	-128.1	0	0	0	110.9	C31 L41 W43 L56 V58 A72 T73 L83	C31-F81 PolarHBondContact O-N 3.36Å; L41-F81 HydrophobicContact CB-CB 4.45Å; L41-F81 HydrophobicContact CB-CD1 3.59Å; L41-F81 HydrophobicContact CB-CD2 4.05Å; L41-F81 HydrophobicContact CB-CE1 3.67Å; L41-F81 HydrophobicContact CB-CE2 4.16Å; L41-F81 HydrophobicContact CB-CG 3.77Å; L41-F81 HydrophobicContact CB-CZ 3.97Å; L41-F81 HydrophobicContact CD1-CB 3.87Å; L41-F81 HydrophobicContact CD1-CD2 4Å; L41-F81 HydrophobicContact CD1-CG 3.9Å; L41-F81 HydrophobicContact CG-CG 4.43Å; W43-F81 AromaticContact CD1-CD1 3.43Å; W43-F81 VanDerWaalsContact CD1-CD1 3.43Å; W43-F81 AromaticContact CD1-CE1 3.21Å; W43-F81 HydrophobicContact CG-CD1 4.47Å; W43-F81 HydrophobicContact CG-CE1 4.2Å; W43-F81 WeakPolarHBondContact CZ2-O 3.49Å; W43-F81 AromaticContact NE1-CD1 3.35Å; W43-F81 AromaticContact NE1-CE1 3.67Å; W43-F81 PolarHBondContact NE1-O 2.66Å; L56-F81 HydrophobicContact CD1-CE1 3.91Å; L56-F81 HydrophobicContact CD1-CZ 3.51Å; V58-F81 HydrophobicContact CB-CE2 3.87Å; V58-F81 HydrophobicContact CB-CZ 4.07Å; V58-F81 HydrophobicContact CG2-CE2 3.66Å; V58-F81 HydrophobicContact CG2-CZ 3.78Å; A72-F81 HydrophobicContact CB-CD1 4.46Å; A72-F81 HydrophobicContact CB-CD2 3.91Å; A72-F81 HydrophobicContact CB-CE1 4.17Å; A72-F81 HydrophobicContact CB-CE2 3.55Å; A72-F81 HydrophobicContact CB-CG 4.35Å; A72-F81 HydrophobicContact CB-CZ 3.71Å; T73-F81 WeakPolarHBondContact O-CD2 3.45Å; F81-L83 PolarHBondContact O-N 3.36Å
82	H	98.5	Very high	97.6	Very high	40 Å²	40	53.1 Å²	53.1	19%	0.185	30%	0.299	C	S	.	.			trans	-60	134.2	-177.2	-54.7	-79.3	0	0	0	111.7	F28 I29 N30 A72 S80	F28-H82 AromaticContact CE1-ND1 4Å; F28-H82 HydrophobicContact CE2-CB 3.95Å; F28-H82 HydrophobicContact CZ-CB 3.83Å; F28-H82 AromaticContact CZ-CG 3.72Å; F28-H82 AromaticContact CZ-ND1 3.79Å; I29-H82 WeakPolarHBondContact O-CA 3.33Å; N30-H82 WeakPolarHBondContact CA-ND1 3.45Å; N30-H82 PolarHBondContact OD1-CE1 2.87Å; N30-H82 PolarHBondContact OD1-ND1 2.82Å; A72-H82 WeakPolarHBondContact CA-O 3.43Å; A72-H82 WeakPolarHBondContact CB-O 3.33Å; S80-H82 VanDerWaalsContact CB-CD2 3.47Å; S80-H82 WeakPolarHBondContact CB-CD2 3.28Å; S80-H82 WeakPolarHBondContact CB-NE2 3.44Å; S80-H82 PolarHBondContact OG-CD2 2.97Å; S80-H82 VanDerWaalsContact OG-CD2 3.31Å; S80-H82 PolarHBondContact OG-NE2 3.17Å
83	L	98.6	Very high	97.5	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.9	172.2	-165.8	65.3	0	0	0	109.7	F28 I29 W43 L55 L56 F70 E71 A72 F81 Y96	F28-L83 CarbonylContact C-O 3.5Å; F28-L83 WeakPolarHBondContact CA-O 3.48Å; I29-L83 HydrophobicContact CB-CB 4.17Å; I29-L83 HydrophobicContact CD1-CD2 4.21Å; I29-L83 PolarHBondContact N-O 3.07Å; I29-L83 PolarHBondContact O-N 2.99Å; W43-L83 HydrophobicContact CB-CD1 4.26Å; W43-L83 HydrophobicContact CD2-CB 3.91Å; W43-L83 HydrophobicContact CD2-CD1 4.15Å; W43-L83 HydrophobicContact CD2-CD2 4.04Å; W43-L83 HydrophobicContact CD2-CG 4.26Å; W43-L83 HydrophobicContact CE3-CB 4.38Å; W43-L83 HydrophobicContact CE3-CD2 4.02Å; W43-L83 HydrophobicContact CG-CB 4.4Å; W43-L83 HydrophobicContact CG-CD1 3.79Å; W43-L83 HydrophobicContact CG-CD2 4.38Å; W43-L83 HydrophobicContact CG-CG 4.42Å; W43-L83 HydrophobicContact CH2-CB 4.13Å; W43-L83 HydrophobicContact CZ2-CB 3.63Å; W43-L83 HydrophobicContact CZ3-CB 4.48Å; W43-L83 HydrophobicContact CZ3-CD2 4.46Å; L55-L83 HydrophobicContact CD2-CD1 4.1Å; L55-L83 HydrophobicContact CD2-CD2 3.93Å; L56-L83 HydrophobicContact CD2-CD1 4.02Å; F70-L83 HydrophobicContact CB-CD1 3.92Å; F70-L83 HydrophobicContact CB-CG 4.49Å; F70-L83 HydrophobicContact CD1-CD1 4.26Å; F70-L83 HydrophobicContact CD1-CD2 3.8Å; F70-L83 HydrophobicContact CD1-CG 3.96Å; F70-L83 HydrophobicContact CE1-CD2 4.31Å; E71-L83 CarbonylContact O-C 3.52Å; A72-L83 HydrophobicContact CB-CD1 4.33Å; F81-L83 PolarHBondContact O-N 3.36Å; L83-Y96 HydrophobicContact CD2-CD1 3.51Å; L83-Y96 HydrophobicContact CD2-CE1 4.03Å; L83-Y96 HydrophobicContact CD2-CG 4.14Å
84	Q	98.3	Very high	97.4	Very high	68 Å²	68	56.4 Å²	56.4	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149	179.5	-52	-175.5	5.1	0	0	110.4	F26 L27 F28 F70 E71	F26-Q84 HydrophobicContact CE2-CB 4.39Å; F26-Q84 HydrophobicContact CZ-CB 4.13Å; F26-Q84 HydrophobicContact CZ-CG 4.31Å; L27-Q84 VanDerWaalsContact O-CA 3.28Å; L27-Q84 WeakPolarHBondContact O-CA 3.13Å; F28-Q84 HydrophobicContact CD2-CG 3.75Å; F28-Q84 HydrophobicContact CE2-CG 4.05Å; F70-Q84 CarbonylContact C-O 3.49Å; F70-Q84 VanDerWaalsContact CA-O 3.25Å; F70-Q84 WeakPolarHBondContact CA-O 3.34Å; E71-Q84 PolarHBondContact N-O 3.43Å; E71-Q84 PolarHBondContact O-N 2.97Å
85	K	98.3	Very high	97.3	Very high	20 Å²	20	60 Å²	60	9%	0.087	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	129.5	166.2	177.9	162.4	-179.2	165.5	0	109.2	F26 L27 R68 F70 S87 V88 D92	F26-K85 WeakPolarHBondContact CD2-O 3.41Å; L27-K85 HydrophobicContact CB-CB 4.13Å; L27-K85 HydrophobicContact CD2-CB 4.32Å; L27-K85 PolarHBondContact N-O 2.88Å; L27-K85 PolarHBondContact O-N 3.19Å; L27-K85 VanDerWaalsContact O-N 3.09Å; R68-K85 PolarHBondContact O-NZ 3.37Å; F70-K85 HydrophobicContact CD1-CB 3.82Å; F70-K85 HydrophobicContact CD1-CD 3.94Å; F70-K85 HydrophobicContact CD1-CG 4.5Å; F70-K85 HydrophobicContact CD2-CD 3.95Å; F70-K85 HydrophobicContact CE1-CB 4.03Å; F70-K85 HydrophobicContact CE1-CD 3.68Å; F70-K85 HydrophobicContact CE2-CD 3.66Å; F70-K85 HydrophobicContact CG-CB 4.36Å; F70-K85 HydrophobicContact CG-CD 4.07Å; F70-K85 HydrophobicContact CZ-CD 3.51Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-S87 WeakPolarHBondContact CE-O 3.14Å; K85-S87 PolarHBondContact O-N 3.01Å; K85-V88 HydrophobicContact CG-CG1 4.45Å; K85-D92 WeakPolarHBondContact CE-OD2 3.35Å; K85-D92 IonicContact NZ-OD1 2.7Å; K85-D92 PolarHBondContact NZ-OD1 2.8Å; K85-D92 IonicContact NZ-OD2 2.79Å; K85-D92 PolarHBondContact NZ-OD2 3.32Å
86	T	97.9	Very high	97.3	Very high	113 Å²	113	58.5 Å²	58.5	69%	0.693	34%	0.339	S	S	*	.	S	Bend	trans	-66.1	-35.4	-170.6	-49.4	0	0	0	0	113.6
87	S	97.8	Very high	97.4	Very high	42 Å²	42	59.4 Å²	59.4	29%	0.294	34%	0.34	S	S	.	.	S	Bend	trans	-148	115.4	-179.4	157	0	0	0	0	107.8	N24 D25 K85	N24-S87 WeakPolarHBondContact CA-OG 3.46Å; N24-S87 PolarHBondContact OD1-OG 3.31Å; D25-S87 WeakPolarHBondContact O-CA 3.22Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-S87 WeakPolarHBondContact CE-O 3.14Å; K85-S87 PolarHBondContact O-N 3.01Å
88	V	97.8	Very high	97.5	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	31%	0.31	C	S	.	.			trans	-84.9	149.8	176.5	-63.6	0	0	0	0	112	L21 S22 E23 N24 D25 L27 K85 D92	L21-V88 HydrophobicContact CB-CG2 4.11Å; L21-V88 HydrophobicContact CD1-CG1 4.43Å; L21-V88 HydrophobicContact CD1-CG2 4.42Å; S22-V88 VanDerWaalsContact O-CG2 3.31Å; S22-V88 WeakPolarHBondContact O-CG2 3.34Å; E23-V88 WeakPolarHBondContact CA-O 3.22Å; N24-V88 PolarHBondContact N-O 3.46Å; D25-V88 HydrophobicContact CB-CG2 4.32Å; D25-V88 PolarHBondContact O-N 2.97Å; L27-V88 HydrophobicContact CB-CG1 3.54Å; L27-V88 HydrophobicContact CD2-CG1 4.35Å; L27-V88 HydrophobicContact CG-CG1 4.48Å; K85-V88 HydrophobicContact CG-CG1 4.45Å; V88-D92 WeakPolarHBondContact CA-OD2 3.46Å; V88-D92 HydrophobicContact CB-CB 4.46Å
89	Q	97.6	Very high	97.5	Very high	111 Å²	111	54.6 Å²	54.6	52%	0.519	30%	0.3	S	S	.	.			trans	-121.2	164.6	173.1	-64.1	176.9	33.3	0	0	109.6	I91 D92	Q89-I91 HydrophobicContact CB-CG2 4.14Å; Q89-I91 PolarHBondContact O-N 3.28Å; Q89-I91 VanDerWaalsContact O-N 3.1Å; Q89-D92 PolarHBondContact N-OD2 3.47Å; Q89-D92 VanDerWaalsContact O-CB 3.27Å; Q89-D92 WeakPolarHBondContact O-CB 3.26Å; Q89-D92 PolarHBondContact O-N 3.46Å
90	E	95.5	Very high	97.5	Very high	159 Å²	159	53.5 Å²	53.5	74%	0.743	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-52.8	-35	177.4	-76.6	-168	159.8	0	0	113.6	E23 D92 S93	E23-E90 HydrophobicContact CG-CG 4.23Å; E23-E90 PolarHBondContact OE1-N 2.69Å; E90-D92 PolarHBondContact O-N 2.98Å; E90-D92 VanDerWaalsContact O-N 3.15Å; E90-S93 VanDerWaalsContact O-CB 3.22Å; E90-S93 WeakPolarHBondContact O-CB 3.19Å; E90-S93 PolarHBondContact O-N 3.16Å
91	I	95	Very high	97.2	Very high	125 Å²	125	64.6 Å²	64.6	64%	0.641	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.3	-12.6	177.5	-162.4	162.4	0	0	0	113.7	Y47 Q89 S93	Y47-I91 VanDerWaalsContact CE1-O 3.28Å; Y47-I91 WeakPolarHBondContact CE1-O 3.37Å; Q89-I91 HydrophobicContact CB-CG2 4.14Å; Q89-I91 PolarHBondContact O-N 3.28Å; Q89-I91 VanDerWaalsContact O-N 3.1Å; I91-S93 VanDerWaalsContact C-N 3.28Å
92	D	97	Very high	97.2	Very high	16 Å²	16	67.8 Å²	67.8	9%	0.086	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-84.5	-2.9	174	-61.5	-46.4	0	0	0	112.7	F70 K85 V88 Q89 E90 A94 Y96	F70-D92 WeakPolarHBondContact CE2-OD1 3.07Å; F70-D92 HydrophobicContact CZ-CB 4.06Å; F70-D92 WeakPolarHBondContact CZ-OD1 3.36Å; K85-D92 WeakPolarHBondContact CE-OD2 3.35Å; K85-D92 IonicContact NZ-OD1 2.7Å; K85-D92 PolarHBondContact NZ-OD1 2.8Å; K85-D92 IonicContact NZ-OD2 2.79Å; K85-D92 PolarHBondContact NZ-OD2 3.32Å; V88-D92 WeakPolarHBondContact CA-OD2 3.46Å; V88-D92 HydrophobicContact CB-CB 4.46Å; Q89-D92 PolarHBondContact N-OD2 3.47Å; Q89-D92 VanDerWaalsContact O-CB 3.27Å; Q89-D92 WeakPolarHBondContact O-CB 3.26Å; Q89-D92 PolarHBondContact O-N 3.46Å; E90-D92 PolarHBondContact O-N 2.98Å; E90-D92 VanDerWaalsContact O-N 3.15Å; D92-A94 PolarHBondContact O-N 3.19Å; D92-Y96 PolarHBondContact O-OH 2.77Å
93	S	96.8	Very high	97.1	Very high	102 Å²	102	69.3 Å²	69.3	71%	0.713	36%	0.358	S	S	*	.			trans	-68.2	104.9	175.7	-170.6	0	0	0	0	110.9	E90 I91	E90-S93 VanDerWaalsContact O-CB 3.22Å; E90-S93 WeakPolarHBondContact O-CB 3.19Å; E90-S93 PolarHBondContact O-N 3.16Å; I91-S93 VanDerWaalsContact C-N 3.28Å
94	A	96.9	Very high	97	Very high	29 Å²	29	73.1 Å²	73.1	24%	0.24	38%	0.377	C	S	.	.	S	Bend	trans	-162.4	172.6	-173.8	0	0	0	0	0	111.3	V45 Q46 Y47 D92 Y96	V45-A94 HydrophobicContact CG2-CB 3.41Å; V45-A94 VanDerWaalsContact CG2-CB 3.41Å; Q46-A94 WeakPolarHBondContact O-CB 3.21Å; Y47-A94 HydrophobicContact CD1-CB 3.68Å; Y47-A94 HydrophobicContact CE1-CB 3.84Å; Y47-A94 HydrophobicContact CG-CB 4.49Å; D92-A94 PolarHBondContact O-N 3.19Å; A94-Y96 HydrophobicContact CB-CE2 3.98Å; A94-Y96 WeakPolarHBondContact O-CD2 3.17Å; A94-Y96 WeakPolarHBondContact O-CE2 3.42Å
95	V	97.1	Very high	96.9	Very high	75 Å²	75	73.4 Å²	73.4	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.5	167.1	-170.9	0	0	0	0	109.3	V45 Q46 Y97	V45-V95 CarbonylContact C-O 3.5Å; V45-V95 WeakPolarHBondContact CA-O 3.47Å; Q46-V95 HydrophobicContact CB-CB 4.46Å; Q46-V95 PolarHBondContact N-O 2.93Å; Q46-V95 PolarHBondContact O-N 2.79Å; V95-Y97 HydrophobicContact CB-CE2 4.01Å; V95-Y97 HydrophobicContact CG1-CD2 4.36Å; V95-Y97 HydrophobicContact CG1-CE1 3.89Å; V95-Y97 HydrophobicContact CG1-CE2 3.64Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.33Å
96	Y	97.6	Very high	96.8	Very high	19 Å²	19	76.8 Å²	76.8	8%	0.075	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	-179.9	-64	-93.9	0	0	0	110.2	Q14 I29 Y44 V45 L55 F70 L83 D92 A94	Q14-Y96 PolarHBondContact NE2-O 2.99Å; I29-Y96 HydrophobicContact CD1-CD2 3.79Å; I29-Y96 HydrophobicContact CD1-CG 3.76Å; Y44-Y96 CarbonylContact O-C 3.59Å; Y44-Y96 WeakPolarHBondContact O-CA 3.45Å; V45-Y96 HydrophobicContact CB-CD1 4.11Å; V45-Y96 HydrophobicContact CB-CE1 4.02Å; V45-Y96 HydrophobicContact CG2-CD1 4.02Å; V45-Y96 HydrophobicContact CG2-CE1 3.62Å; L55-Y96 HydrophobicContact CD2-CD1 4.08Å; L55-Y96 HydrophobicContact CD2-CE1 3.99Å; F70-Y96 HydrophobicContact CD1-CE1 4.29Å; F70-Y96 AromaticContact CE1-CE1 3.6Å; F70-Y96 HydrophobicContact CE1-CE1 3.6Å; F70-Y96 AromaticContact CE1-CZ 3.78Å; F70-Y96 AromaticContact CZ-CE1 3.8Å; F70-Y96 HydrophobicContact CZ-CE1 3.8Å; F70-Y96 AromaticContact CZ-CZ 3.8Å; F70-Y96 WeakPolarHBondContact CZ-OH 3.34Å; L83-Y96 HydrophobicContact CD2-CD1 3.51Å; L83-Y96 HydrophobicContact CD2-CE1 4.03Å; L83-Y96 HydrophobicContact CD2-CG 4.14Å; D92-Y96 PolarHBondContact O-OH 2.77Å; A94-Y96 HydrophobicContact CB-CE2 3.98Å; A94-Y96 WeakPolarHBondContact O-CD2 3.17Å; A94-Y96 WeakPolarHBondContact O-CE2 3.42Å
97	Y	97.7	Very high	96.8	Very high	98 Å²	98	74.3 Å²	74.3	38%	0.384	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123	-178.5	-57.6	-83.6	0	0	0	111.3	W43 Y44 Q46 V95	W43-Y97 CarbonylContact C-O 3.54Å; W43-Y97 WeakPolarHBondContact CA-O 3.13Å; W43-Y97 VanDerWaalsContact CE3-C 3.45Å; Y44-Y97 PolarHBondContact N-O 2.96Å; Y44-Y97 PolarHBondContact O-N 2.89Å; Q46-Y97 HydrophobicContact CB-CD2 4.48Å; Q46-Y97 HydrophobicContact CB-CE2 3.81Å; Q46-Y97 VanDerWaalsContact OE1-CE2 3.31Å; Q46-Y97 PolarHBondContact OE1-OH 3.24Å; Q46-Y97 VanDerWaalsContact OE1-OH 3.14Å; V95-Y97 HydrophobicContact CB-CE2 4.01Å; V95-Y97 HydrophobicContact CG1-CD2 4.36Å; V95-Y97 HydrophobicContact CG1-CE1 3.89Å; V95-Y97 HydrophobicContact CG1-CE2 3.64Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.33Å
98	C	98.1	Very high	96.7	Very high	16 Å²	16	76.6 Å²	76.6	11%	0.108	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.1	169.2	-164.7	0	0	0	0	110.3	V12 C31 F42 W43	V12-C98 HydrophobicContact CG1-CB 3.99Å; C31-C98 HydrophobicContact CB-CB 3.57Å; C31-C98 WeakPolarHBondContact CB-SG 3.4Å; C31-C98 WeakPolarHBondContact SG-CB 3.39Å; C31-C98 CovalentContact SG-SG 2.02Å; C31-C98 PolarHBondContact SG-SG 2.72Å; F42-C98 WeakPolarHBondContact O-CA 3.23Å; W43-C98 HydrophobicContact CD2-CB 4.27Å; W43-C98 HydrophobicContact CE3-CB 4.16Å; W43-C98 HydrophobicContact CH2-CB 3.7Å; W43-C98 HydrophobicContact CZ2-CB 3.8Å; W43-C98 HydrophobicContact CZ3-CB 3.88Å
99	A	97.7	Very high	96.6	Very high	32 Å²	32	81.6 Å²	81.6	26%	0.264	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.6	179.8	0	0	0	0	0	112.2	F42 Y44	F42-A99 HydrophobicContact CB-CB 4.34Å; F42-A99 PolarHBondContact N-O 2.89Å; F42-A99 PolarHBondContact O-N 3.44Å; Y44-A99 HydrophobicContact CD2-CB 4.45Å; Y44-A99 HydrophobicContact CE2-CB 4.31Å
100	M	95.9	Very high	96.5	Very high	42 Å²	42	79.2 Å²	79.2	21%	0.207	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.4	-177.2	158.6	170.3	67.2	0	0	110.1	D10 S11 V12 Y33 T35 P39 T40 L41	D10-M100 HydrophobicContact CB-CE 3.7Å; S11-M100 VanDerWaalsContact N-CE 3.32Å; S11-M100 VanDerWaalsContact O-CE 3.28Å; S11-M100 WeakPolarHBondContact O-CE 3.4Å; V12-M100 HydrophobicContact CG2-CB 3.65Å; V12-M100 HydrophobicContact CG2-CE 4.05Å; Y33-M100 HydrophobicContact CD2-SD 4.24Å; T35-M100 HydrophobicContact CG2-SD 4Å; P39-M100 HydrophobicContact CB-CG 3.58Å; P39-M100 HydrophobicContact CB-SD 3.77Å; P39-M100 HydrophobicContact CG-CG 4.44Å; P39-M100 HydrophobicContact CG-SD 4.1Å; T40-M100 WeakPolarHBondContact O-CA 3.41Å; L41-M100 HydrophobicContact CD2-CB 3.99Å; L41-M100 HydrophobicContact CD2-CG 4.39Å
101	R	93.2	Very high	96.6	Very high	237 Å²	237	71.9 Å²	71.9	89%	0.894	37%	0.37	S	S	*	.			trans	-135.4	0	167.2	179.5	-176.4	152.2	129	0.4	111.3	P39 T40 F42	P39-R101 CarbonylContact C-O 3.57Å; P39-R101 VanDerWaalsContact CA-O 3.25Å; P39-R101 WeakPolarHBondContact CA-O 3.41Å; T40-R101 PolarHBondContact N-O 3.39Å; T40-R101 PolarHBondContact O-N 2.8Å; F42-R101 HydrophobicContact CE2-CB 3.85Å; F42-R101 HydrophobicContact CZ-CB 4.48Å

Retrieved 101 of 101 residues in 139.8 ms (Link to these results)

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