A0A075B603_MOUSE Loading...

T cell receptor alpha variable 6-6

AlphaFold DB , UniProt , Accession A0A075B603, Species MOUSE (Mus musculus, Mouse), Gene Trav6-6, Length 114 aa.

						>A0A075B603_MOUSE|A0A075B603|Trav6-6
MDSSPGFVAVILLILGRTHGDSVTQTEGPVTVSESESLIINCTYSATSIAYPNLFWYVRYPGEGLQLLLKVITAGQKGSSRGFEATYNKETTSFHLQKASVQESDSAVYYCALG
					

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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	M	49	Very low	71.1	Confident	237 Å²	237	135.9 Å²	135.9	100%	1.167	81%	0.81	S	S	*	*				0	91.8	0	-69.5	150.1	73.7	0	0	105.3
2	D	56.4	Low	71.7	Confident	171 Å²	171	137 Å²	137	91%	0.914	81%	0.808	S	S	*	*			trans	-95.1	107	-179.2	-145.7	-11.9	0	0	0	107.2	S4	D2-S4 PolarHBondContact O-N 3.23Å
3	S	64.2	Low	72.2	Confident	107 Å²	107	137.2 Å²	137.2	75%	0.748	80%	0.802	S	S	*	*			trans	-72.9	108.6	-176.8	-70	0	0	0	0	108.7	P5	S3-P5 WeakPolarHBondContact O-CD 3.46Å
4	S	71.2	Confident	72.5	Confident	112 Å²	112	139.3 Å²	139.3	78%	0.783	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-55.8	121.7	173.9	-173.3	0	0	0	0	109.7	D2 G6	D2-S4 PolarHBondContact O-N 3.23Å; S4-G6 PolarHBondContact O-N 3.22Å
5	P	63.6	Low	72.3	Confident	109 Å²	109	140.7 Å²	140.7	71%	0.708	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.8	118.1	-179.2	26.2	-29.9	0	0	0	108.7	S3 F7	S3-P5 WeakPolarHBondContact O-CD 3.46Å; P5-F7 PolarHBondContact O-N 3.29Å
6	G	74	Confident	72.1	Confident	69 Å²	69	135.6 Å²	135.6	71%	0.711	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-58.3	128.2	176.9	0	0	0	0	0	110.9	S4 V8	S4-G6 PolarHBondContact O-N 3.22Å; G6-V8 PolarHBondContact O-N 3.33Å
7	F	78.3	Confident	72	Confident	216 Å²	216	141.1 Å²	141.1	95%	0.947	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.1	117.1	172.9	-92.8	-96	0	0	0	109.8	P5	P5-F7 PolarHBondContact O-N 3.29Å
8	V	80.2	Confident	71.8	Confident	130 Å²	130	140.9 Å²	140.9	79%	0.788	80%	0.802	S	S	*	*			trans	-93	109	169.5	-179	0	0	0	0	108	G6 V10	G6-V8 PolarHBondContact O-N 3.33Å; V8-V10 HydrophobicContact CG1-CG2 4.34Å
9	A	81.6	Confident	71.8	Confident	87 Å²	87	141.5 Å²	141.5	72%	0.719	80%	0.797	S	S	*	*			trans	-89.7	116.6	172.6	0	0	0	0	0	109.7
10	V	82.8	Confident	72.4	Confident	117 Å²	117	136.9 Å²	136.9	71%	0.709	78%	0.782	S	S	*	*			trans	-95.8	107.4	172.9	-178.7	0	0	0	0	108.1	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.34Å; V10-L12 HydrophobicContact CG1-CG 4.37Å
11	I	80.9	Confident	73.3	Confident	140 Å²	140	133.1 Å²	133.1	72%	0.718	76%	0.76	S	S	*	*			trans	-94.4	102.3	176.1	-59.9	175.4	0	0	0	108.3	L13	I11-L13 HydrophobicContact CG2-CD2 4Å; I11-L13 HydrophobicContact CG2-CG 4.33Å; I11-L13 PolarHBondContact O-N 3.33Å
12	L	78	Confident	75.5	Confident	149 Å²	149	124.5 Å²	124.5	78%	0.78	72%	0.723	S	S	*	*			trans	-81.8	100.8	170.6	-75.1	159.7	0	0	0	108.7	V10 I14	V10-L12 HydrophobicContact CG1-CG 4.37Å; L12-I14 PolarHBondContact O-N 2.78Å
13	L	77.9	Confident	77.4	Confident	140 Å²	140	118.4 Å²	118.4	73%	0.733	69%	0.692	S	S	*	*			trans	-71.9	96.6	169.6	-63.6	175.3	0	0	0	108.3	I11 L15	I11-L13 HydrophobicContact CG2-CD2 4Å; I11-L13 HydrophobicContact CG2-CG 4.33Å; I11-L13 PolarHBondContact O-N 3.33Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 HydrophobicContact CB-CD1 4.06Å; L13-L15 PolarHBondContact O-N 3.02Å
14	I	76.6	Confident	79	Confident	166 Å²	166	117.6 Å²	117.6	85%	0.851	68%	0.682	S	S	*	*			trans	-72	92.8	168.5	2.5	176	0	0	0	107.2	L12 G16	L12-I14 PolarHBondContact O-N 2.78Å; I14-G16 PolarHBondContact O-N 3.28Å
15	L	70.2	Confident	80.3	Confident	160 Å²	160	115.3 Å²	115.3	84%	0.838	66%	0.659	S	S	*	*			trans	-72	73.3	166.6	-76.9	92.7	0	0	0	108.5	L13 R17	L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 HydrophobicContact CB-CD1 4.06Å; L13-L15 PolarHBondContact O-N 3.02Å; L15-R17 PolarHBondContact O-N 3.25Å
16	G	69.4	Low	81.9	Confident	59 Å²	59	112.2 Å²	112.2	61%	0.608	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.5	165.5	0	0	0	0	0	108.6	I14 T18	I14-G16 PolarHBondContact O-N 3.28Å; G16-T18 PolarHBondContact O-N 3Å
17	R	69.2	Low	82.9	Confident	230 Å²	230	117.5 Å²	117.5	87%	0.868	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-63.2	116.9	164.8	-104.3	-175.6	161.4	128.4	-3.6	107.4	L15 H19	L15-R17 PolarHBondContact O-N 3.25Å; R17-H19 PolarHBondContact O-N 3.03Å
18	T	69.4	Low	83.7	Confident	137 Å²	137	110.1 Å²	110.1	84%	0.84	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-73.4	119.2	168.6	52	0	0	0	0	107.8	G16 G20	G16-T18 PolarHBondContact O-N 3Å; T18-G20 PolarHBondContact O-N 3.34Å
19	H	70.8	Confident	84.4	Confident	153 Å²	153	110 Å²	110	71%	0.708	63%	0.631	S	S	*	*			trans	-83.2	92.4	170.5	-82.3	-99.6	0	0	0	107.6	R17 T47	R17-H19 PolarHBondContact O-N 3.03Å; H19-T47 HydrophobicContact CB-CG2 3.92Å; H19-T47 PolarHBondContact O-OG1 3.04Å
20	G	83.9	Confident	85.2	Confident	48 Å²	48	109.2 Å²	109.2	50%	0.495	62%	0.617	S	S	.	*			trans	-89	160.2	175.1	0	0	0	0	0	112.5	T18	T18-G20 PolarHBondContact O-N 3.34Å
21	D	91.4	Very high	85.8	Confident	59 Å²	59	110.1 Å²	110.1	32%	0.316	62%	0.623	S	S	.	*			trans	-71.4	144.8	167.4	-68.5	-3.7	0	0	0	109.9	S45 A46 T47 L113	D21-S45 CarbonylContact C-O 3.53Å; D21-S45 VanDerWaalsContact CA-O 3.25Å; D21-S45 WeakPolarHBondContact CA-O 3.23Å; D21-A46 VanDerWaalsContact OD1-CA 3.27Å; D21-A46 WeakPolarHBondContact OD1-CA 3.38Å; D21-T47 PolarHBondContact OD1-N 2.86Å; D21-T47 PolarHBondContact OD1-OG1 3.3Å; D21-L113 HydrophobicContact CB-CD1 3.6Å; D21-L113 HydrophobicContact CB-CD2 4.26Å; D21-L113 HydrophobicContact CB-CG 4.27Å
22	S	94.5	Very high	86.6	Confident	56 Å²	56	105.6 Å²	105.6	39%	0.392	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.2	159.6	-177.9	56.5	0	0	0	0	112.8	Y44 S45 L113	S22-Y44 CarbonylContact O-C 3.6Å; S22-Y44 VanDerWaalsContact O-CA 3.31Å; S22-Y44 WeakPolarHBondContact O-CA 3.48Å; S22-S45 PolarHBondContact N-O 3.49Å; S22-S45 PolarHBondContact O-N 2.69Å; S22-L113 VanDerWaalsContact C-CD2 3.44Å; S22-L113 WeakPolarHBondContact O-CD2 3.26Å
23	V	97	Very high	87.5	Confident	43 Å²	43	101.7 Å²	101.7	26%	0.261	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.8	148.3	164.9	-66.8	0	0	0	0	109.9	T43 C111 L113	V23-T43 CarbonylContact C-O 3.57Å; V23-T43 WeakPolarHBondContact CA-O 3.42Å; V23-C111 HydrophobicContact CG2-CB 4.5Å; V23-C111 WeakPolarHBondContact CG2-O 3.44Å; V23-L113 HydrophobicContact CG1-CB 4.36Å; V23-L113 HydrophobicContact CG1-CD2 3.59Å
24	T	97.9	Very high	88.4	Confident	89 Å²	89	101 Å²	101	55%	0.546	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.8	120.3	168.3	-58.3	0	0	0	0	108.1	C42 T43	T24-C42 CarbonylContact O-C 3.54Å; T24-C42 WeakPolarHBondContact O-CA 3.47Å; T24-T43 PolarHBondContact N-O 2.83Å; T24-T43 PolarHBondContact O-N 2.88Å; T24-T43 PolarHBondContact O-OG1 2.85Å
25	Q	98.1	Very high	89.4	Confident	65 Å²	65	97.4 Å²	97.4	30%	0.304	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	166.2	-178	62.3	175.7	56.7	0	0	112	E27 N41 Y109	Q25-E27 PolarHBondContact O-N 3.48Å; Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 WeakPolarHBondContact CA-O 3.5Å; Q25-N41 WeakPolarHBondContact CB-O 3.46Å; Q25-Y109 PolarHBondContact NE2-O 3.02Å
26	T	97.6	Very high	90.8	Very high	44 Å²	44	94.3 Å²	94.3	27%	0.27	55%	0.551	S	S	.	*			trans	-50.8	125.6	171.9	-58	0	0	0	0	110.1	V30 N41	T26-V30 HydrophobicContact CG2-CG2 3.79Å; T26-N41 PolarHBondContact N-O 2.9Å; T26-N41 PolarHBondContact OG1-N 3.14Å
27	E	94.9	Very high	92.1	Very high	179 Å²	179	95.5 Å²	95.5	84%	0.836	55%	0.55	S	S	*	.			trans	-86.8	145.9	179.9	-63.9	-173.1	170.8	0	0	111.6	Q25	Q25-E27 PolarHBondContact O-N 3.48Å
28	G	95.1	Very high	93.5	Very high	61 Å²	61	85.5 Å²	85.5	63%	0.629	51%	0.514	S	S	*	.	S	Bend	trans	75.9	-177.8	176	0	0	0	0	0	114.6
29	P	96.1	Very high	94.9	Very high	128 Å²	128	83.3 Å²	83.3	83%	0.831	50%	0.496	S	S	*	.			trans	-71.7	141.2	178.2	29.7	-33.4	0	0	0	111
30	V	96.7	Very high	96.2	Very high	71 Å²	71	76.8 Å²	76.8	43%	0.43	47%	0.466	S	S	.	.			trans	-110.7	125.3	170.5	-176.3	0	0	0	0	107.7	T26 V32 L38	T26-V30 HydrophobicContact CG2-CG2 3.79Å; V30-V32 HydrophobicContact CG1-CG2 3.96Å; V30-L38 HydrophobicContact CB-CD1 4.48Å; V30-L38 HydrophobicContact CG1-CD1 3.65Å
31	T	96.9	Very high	96.9	Very high	135 Å²	135	78.4 Å²	78.4	83%	0.828	46%	0.463	S	S	*	.			trans	-116.3	128.9	178.3	-52.6	0	0	0	0	108.9
32	V	96.4	Very high	97.2	Very high	45 Å²	45	75.6 Å²	75.6	27%	0.273	45%	0.448	S	S	.	.			trans	-139.9	144.1	-174.2	179.3	0	0	0	0	107.5	V30 E36 L38 V101	V30-V32 HydrophobicContact CG1-CG2 3.96Å; V32-E36 HydrophobicContact CG1-CB 3.48Å; V32-E36 VanDerWaalsContact CG1-CB 3.48Å; V32-E36 HydrophobicContact CG1-CG 4.5Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.5Å; V32-L38 HydrophobicContact CG2-CD1 3.84Å; V32-V101 HydrophobicContact CB-CG2 4.25Å; V32-V101 HydrophobicContact CG1-CG2 3.74Å
33	S	97.8	Very high	97.4	Very high	67 Å²	67	75.3 Å²	75.3	47%	0.469	44%	0.444	S	S	.	.			trans	-74.5	153.2	177.3	-42.6	0	0	0	0	110.7	S35 E36 V101	S33-S35 PolarHBondContact O-N 3.15Å; S33-E36 VanDerWaalsContact CB-OE1 3.26Å; S33-E36 WeakPolarHBondContact CB-OE1 3.5Å; S33-E36 PolarHBondContact N-OE2 2.92Å; S33-E36 WeakPolarHBondContact O-CB 3.43Å; S33-E36 PolarHBondContact O-N 3.13Å; S33-E36 VanDerWaalsContact O-N 3.14Å; S33-E36 PolarHBondContact OG-OE1 2.99Å; S33-E36 PolarHBondContact OG-OE2 2.96Å; S33-V101 WeakPolarHBondContact O-CG2 3.26Å
34	E	97.2	Very high	97.3	Very high	126 Å²	126	74.1 Å²	74.1	59%	0.589	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	145.2	172.1	-70.1	-159.1	135.3	0	0	111.6	E36 E103	E34-E36 PolarHBondContact O-N 3.22Å; E34-E36 VanDerWaalsContact O-N 3.15Å; E34-E103 WeakPolarHBondContact OE1-CB 3.34Å; E34-E103 PolarHBondContact OE1-N 2.99Å; E34-E103 VanDerWaalsContact OE1-N 3.13Å
35	S	97.4	Very high	97.1	Very high	90 Å²	90	72.9 Å²	72.9	63%	0.629	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-5	-176.5	-50.4	0	0	0	0	116.5	S33 S100 V101	S33-S35 PolarHBondContact O-N 3.15Å; S35-S100 WeakPolarHBondContact CA-OG 3.15Å; S35-V101 PolarHBondContact N-O 3Å
36	E	98.3	Very high	96.8	Very high	96 Å²	96	71.4 Å²	71.4	45%	0.449	43%	0.429	S	S	.	.	S	Bend	trans	-76.7	164.6	169.9	-69.1	175.8	-177.2	0	0	111.4	V32 S33 E34 S100 V101	V32-E36 HydrophobicContact CG1-CB 3.48Å; V32-E36 VanDerWaalsContact CG1-CB 3.48Å; V32-E36 HydrophobicContact CG1-CG 4.5Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.5Å; S33-E36 VanDerWaalsContact CB-OE1 3.26Å; S33-E36 WeakPolarHBondContact CB-OE1 3.5Å; S33-E36 PolarHBondContact N-OE2 2.92Å; S33-E36 WeakPolarHBondContact O-CB 3.43Å; S33-E36 PolarHBondContact O-N 3.13Å; S33-E36 VanDerWaalsContact O-N 3.14Å; S33-E36 PolarHBondContact OG-OE1 2.99Å; S33-E36 PolarHBondContact OG-OE2 2.96Å; E34-E36 PolarHBondContact O-N 3.22Å; E34-E36 VanDerWaalsContact O-N 3.15Å; E36-S100 WeakPolarHBondContact O-CA 3.34Å; E36-V101 WeakPolarHBondContact O-CG2 3.39Å; E36-V101 PolarHBondContact O-N 3.12Å
37	S	98.2	Very high	96.2	Very high	84 Å²	84	72.9 Å²	72.9	59%	0.587	44%	0.438	S	S	*	.			trans	-87	143	174.8	61	0	0	0	0	111.3	K98	S37-K98 CarbonylContact C-O 3.54Å; S37-K98 VanDerWaalsContact CA-O 3.29Å; S37-K98 WeakPolarHBondContact CA-O 3.11Å
38	L	97.7	Very high	95.3	Very high	20 Å²	20	68.9 Å²	68.9	11%	0.105	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.2	177.4	170.6	67.9	0	0	0	109.8	V30 V32 I40 F83 Q97 K98 V101	V30-L38 HydrophobicContact CB-CD1 4.48Å; V30-L38 HydrophobicContact CG1-CD1 3.65Å; V32-L38 HydrophobicContact CG2-CD1 3.84Å; L38-I40 HydrophobicContact CD1-CG1 4.04Å; L38-I40 HydrophobicContact CD2-CD1 4.26Å; L38-I40 HydrophobicContact CD2-CG1 4.24Å; L38-I40 HydrophobicContact CG-CG1 4.14Å; L38-F83 HydrophobicContact CD2-CE1 4.3Å; L38-Q97 CarbonylContact O-C 3.56Å; L38-Q97 VanDerWaalsContact O-CA 3.27Å; L38-Q97 WeakPolarHBondContact O-CA 3.47Å; L38-K98 PolarHBondContact N-O 3.1Å; L38-K98 PolarHBondContact O-N 2.88Å; L38-V101 HydrophobicContact CB-CG1 3.44Å; L38-V101 VanDerWaalsContact CB-CG1 3.44Å; L38-V101 HydrophobicContact CD2-CG1 4.07Å; L38-V101 HydrophobicContact CG-CG1 4.4Å
39	I	98.2	Very high	94.5	Very high	90 Å²	90	69.6 Å²	69.6	46%	0.462	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.8	166.4	-55.5	-178.2	0	0	0	108.4	H95 L96 Q97	I39-H95 HydrophobicContact CG2-CB 4.26Å; I39-L96 CarbonylContact C-O 3.49Å; I39-L96 WeakPolarHBondContact CA-O 3.25Å; I39-Q97 HydrophobicContact CG1-CG 4.13Å; I39-Q97 HydrophobicContact CG2-CG 4.31Å
40	I	98.4	Very high	93.8	Very high	17 Å²	17	67 Å²	67	9%	0.087	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.2	168.3	-52	-179.9	0	0	0	107.2	L38 W56 H95 L96 Y109	L38-I40 HydrophobicContact CD1-CG1 4.04Å; L38-I40 HydrophobicContact CD2-CD1 4.26Å; L38-I40 HydrophobicContact CD2-CG1 4.24Å; L38-I40 HydrophobicContact CG-CG1 4.14Å; I40-W56 HydrophobicContact CB-CH2 4.14Å; I40-W56 HydrophobicContact CG2-CH2 3.66Å; I40-W56 HydrophobicContact CG2-CZ3 4.27Å; I40-H95 CarbonylContact O-C 3.57Å; I40-H95 WeakPolarHBondContact O-CA 3.37Å; I40-L96 HydrophobicContact CB-CB 4.28Å; I40-L96 HydrophobicContact CD1-CD2 4.44Å; I40-L96 PolarHBondContact N-O 3.22Å; I40-L96 PolarHBondContact O-N 3.1Å; I40-Y109 HydrophobicContact CD1-CD2 4.01Å; I40-Y109 HydrophobicContact CD1-CG 4.05Å
41	N	98.5	Very high	93.2	Very high	81 Å²	81	70.5 Å²	70.5	43%	0.433	41%	0.414	S	S	.	.			trans	-71.1	139.1	-180	-65.5	-29.6	0	0	0	109.3	Q25 T26	Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 WeakPolarHBondContact CA-O 3.5Å; Q25-N41 WeakPolarHBondContact CB-O 3.46Å; T26-N41 PolarHBondContact N-O 2.9Å; T26-N41 PolarHBondContact OG1-N 3.14Å
42	C	98.6	Very high	93.1	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	130.7	166.2	175.6	0	0	0	0	109.2	T24 W56 S93 F94 H95 C111	T24-C42 CarbonylContact O-C 3.54Å; T24-C42 WeakPolarHBondContact O-CA 3.47Å; C42-W56 HydrophobicContact CB-CH2 4.01Å; C42-W56 HydrophobicContact CB-CZ2 3.42Å; C42-W56 VanDerWaalsContact CB-CZ2 3.42Å; C42-S93 WeakPolarHBondContact O-CA 3.27Å; C42-F94 PolarHBondContact O-N 2.92Å; C42-H95 PolarHBondContact N-ND1 3.4Å; C42-H95 VanDerWaalsContact N-ND1 3.12Å; C42-H95 PolarHBondContact O-CE1 2.87Å; C42-H95 VanDerWaalsContact O-CE1 3.31Å; C42-H95 PolarHBondContact O-ND1 2.94Å; C42-C111 HydrophobicContact CB-CB 3.59Å; C42-C111 WeakPolarHBondContact CB-SG 3.47Å; C42-C111 WeakPolarHBondContact SG-CB 3.03Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 2.83Å
43	T	97.7	Very high	93	Very high	50 Å²	50	64 Å²	64	31%	0.307	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155.1	170.2	55.2	0	0	0	0	109	V23 T24 T92	V23-T43 CarbonylContact C-O 3.57Å; V23-T43 WeakPolarHBondContact CA-O 3.42Å; T24-T43 PolarHBondContact N-O 2.83Å; T24-T43 PolarHBondContact O-N 2.88Å; T24-T43 PolarHBondContact O-OG1 2.85Å; T43-T92 CarbonylContact C-O 3.58Å; T43-T92 WeakPolarHBondContact CA-O 3.36Å; T43-T92 WeakPolarHBondContact CB-O 3.43Å
44	Y	95.5	Very high	93	Very high	18 Å²	18	60.9 Å²	60.9	7%	0.071	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.8	179.4	70.2	-89.9	0	0	0	111.1	S22 A46 P52 L54 Y87 T92	S22-Y44 CarbonylContact O-C 3.6Å; S22-Y44 VanDerWaalsContact O-CA 3.31Å; S22-Y44 WeakPolarHBondContact O-CA 3.48Å; Y44-A46 HydrophobicContact CD2-CB 4.34Å; Y44-P52 HydrophobicContact CD2-CG 3.81Å; Y44-P52 HydrophobicContact CE2-CG 3.76Å; Y44-L54 HydrophobicContact CD1-CD1 3.78Å; Y44-L54 HydrophobicContact CD1-CD2 4Å; Y44-L54 HydrophobicContact CE1-CD1 3.76Å; Y44-L54 HydrophobicContact CG-CD2 4.13Å; Y44-Y87 HydrophobicContact CE1-CD2 4.37Å; Y44-Y87 AromaticContact CE1-CE2 3.81Å; Y44-Y87 HydrophobicContact CE1-CE2 3.81Å; Y44-Y87 AromaticContact CZ-CE2 3.82Å; Y44-Y87 WeakPolarHBondContact OH-CE2 3.43Å; Y44-T92 WeakPolarHBondContact CD1-O 3.25Å; Y44-T92 HydrophobicContact CE2-CG2 4.39Å; Y44-T92 PolarHBondContact N-O 2.82Å; Y44-T92 WeakPolarHBondContact O-CB 3.36Å
45	S	94.4	Very high	93.1	Very high	63 Å²	63	56.1 Å²	56.1	44%	0.441	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.4	169.6	170.3	0	0	0	0	107.3	D21 S22	D21-S45 CarbonylContact C-O 3.53Å; D21-S45 VanDerWaalsContact CA-O 3.25Å; D21-S45 WeakPolarHBondContact CA-O 3.23Å; S22-S45 PolarHBondContact N-O 3.49Å; S22-S45 PolarHBondContact O-N 2.69Å
46	A	90.6	Very high	93.1	Very high	34 Å²	34	51.8 Å²	51.8	28%	0.281	30%	0.298	S	S	.	.			trans	-119.1	133.7	177.4	0	0	0	0	0	110.1	D21 Y44 I49 P52 L113	D21-A46 VanDerWaalsContact OD1-CA 3.27Å; D21-A46 WeakPolarHBondContact OD1-CA 3.38Å; Y44-A46 HydrophobicContact CD2-CB 4.34Å; A46-I49 WeakPolarHBondContact CB-O 3.29Å; A46-P52 HydrophobicContact CB-CG 4.08Å; A46-L113 HydrophobicContact CB-CD1 3.98Å
47	T	84.7	Confident	93.2	Very high	74 Å²	74	50.5 Å²	50.5	45%	0.454	29%	0.29	S	S	.	.	S	Bend	trans	-102.4	-31.1	-171.9	65	0	0	0	0	112.1	H19 D21	H19-T47 HydrophobicContact CB-CG2 3.92Å; H19-T47 PolarHBondContact O-OG1 3.04Å; D21-T47 PolarHBondContact OD1-N 2.86Å; D21-T47 PolarHBondContact OD1-OG1 3.3Å
48	S	77.5	Confident	93.2	Very high	96 Å²	96	46.5 Å²	46.5	67%	0.671	26%	0.262	S	S	*	.	S	Bend	trans	-109.6	-30	-173.7	63.9	0	0	0	0	114
49	I	77.2	Confident	93.2	Very high	76 Å²	76	51.7 Å²	51.7	39%	0.39	28%	0.28	S	S	.	.			trans	-113.8	120.3	-175.4	-59.5	170.2	0	0	0	108.8	A46 Y51	A46-I49 WeakPolarHBondContact CB-O 3.29Å; I49-Y51 PolarHBondContact O-N 3.19Å
50	A	81.1	Confident	93.2	Very high	73 Å²	73	48.8 Å²	48.8	60%	0.603	26%	0.264	S	S	*	.	S	Bend	trans	-65.1	-30.5	179.3	0	0	0	0	0	112.9
51	Y	85.7	Confident	93.2	Very high	145 Å²	145	53.1 Å²	53.1	57%	0.569	29%	0.292	S	S	*	.	S	Bend	trans	-135.8	77.9	-176.6	-48.5	-64.3	0	0	0	110.2	I49 A74 Y87	I49-Y51 PolarHBondContact O-N 3.19Å; Y51-A74 HydrophobicContact CD1-CB 4.36Å; Y51-Y87 WeakPolarHBondContact CA-OH 3.4Å
52	P	93.3	Very high	93.1	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	32%	0.317	C	S	.	.			trans	-64.9	154.9	176.3	29.1	-37.5	0	0	0	110.8	Y44 A46 L54 Y87 L113	Y44-P52 HydrophobicContact CD2-CG 3.81Å; Y44-P52 HydrophobicContact CE2-CG 3.76Å; A46-P52 HydrophobicContact CB-CG 4.08Å; P52-L54 HydrophobicContact CG-CD2 4.17Å; P52-Y87 WeakPolarHBondContact CD-OH 3.41Å; P52-Y87 WeakPolarHBondContact O-CE1 3.48Å; P52-Y87 PolarHBondContact O-OH 2.92Å; P52-L113 HydrophobicContact CB-CB 4.14Å; P52-L113 HydrophobicContact CB-CD1 3.82Å; P52-L113 HydrophobicContact CG-CD1 4.05Å
53	N	95.4	Very high	93.1	Very high	43 Å²	43	58 Å²	58	23%	0.23	34%	0.337	C	S	.	.			trans	-74.2	137	167.3	-57	-56.3	0	0	0	108.4	F55 I72 L113 G114	N53-F55 HydrophobicContact CB-CE2 3.55Å; N53-F55 HydrophobicContact CB-CZ 3.74Å; N53-F55 WeakPolarHBondContact O-CD2 3.33Å; N53-F55 VanDerWaalsContact O-CE2 3.28Å; N53-F55 WeakPolarHBondContact O-CE2 3.27Å; N53-I72 HydrophobicContact CB-CD1 4.19Å; N53-I72 WeakPolarHBondContact OD1-CD1 3.03Å; N53-I72 WeakPolarHBondContact OD1-CG2 3.13Å; N53-L113 CarbonylContact O-C 3.52Å; N53-L113 WeakPolarHBondContact O-CA 3.41Å; N53-G114 PolarHBondContact N-O 3.46Å; N53-G114 PolarHBondContact O-N 3.36Å
54	L	97.8	Very high	93.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.1	-177.8	-59	179.5	0	0	0	110.8	Y44 P52 K70 V71 Y87 F94 L113	Y44-L54 HydrophobicContact CD1-CD1 3.78Å; Y44-L54 HydrophobicContact CD1-CD2 4Å; Y44-L54 HydrophobicContact CE1-CD1 3.76Å; Y44-L54 HydrophobicContact CG-CD2 4.13Å; P52-L54 HydrophobicContact CG-CD2 4.17Å; L54-K70 CarbonylContact O-C 3.52Å; L54-K70 WeakPolarHBondContact O-CA 3.44Å; L54-V71 PolarHBondContact N-O 2.82Å; L54-V71 PolarHBondContact O-N 3.23Å; L54-Y87 HydrophobicContact CD1-CD1 3.97Å; L54-Y87 HydrophobicContact CD1-CD2 3.44Å; L54-Y87 VanDerWaalsContact CD1-CD2 3.44Å; L54-Y87 HydrophobicContact CD1-CE1 4.02Å; L54-Y87 HydrophobicContact CD1-CE2 3.54Å; L54-Y87 HydrophobicContact CD1-CG 3.68Å; L54-Y87 HydrophobicContact CG-CD1 4.3Å; L54-Y87 HydrophobicContact CG-CE1 4.12Å; L54-Y87 HydrophobicContact CG-CE2 4.39Å; L54-Y87 HydrophobicContact CG-CG 4.48Å; L54-F94 HydrophobicContact CB-CB 4.42Å; L54-F94 HydrophobicContact CB-CD1 3.55Å; L54-F94 HydrophobicContact CB-CD2 4.2Å; L54-F94 HydrophobicContact CB-CE1 3.67Å; L54-F94 HydrophobicContact CB-CE2 4.33Å; L54-F94 HydrophobicContact CB-CG 3.82Å; L54-F94 HydrophobicContact CB-CZ 4.07Å; L54-F94 HydrophobicContact CD1-CB 3.68Å; L54-F94 HydrophobicContact CD1-CD1 4.39Å; L54-F94 HydrophobicContact CD1-CD2 4.13Å; L54-F94 HydrophobicContact CD1-CG 3.84Å; L54-F94 HydrophobicContact CG-CG 4.45Å; L54-L113 HydrophobicContact CD2-CB 3.7Å
55	F	98.5	Very high	93.2	Very high	26 Å²	26	61.9 Å²	61.9	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.9	-171.3	-51.7	-105.3	0	0	0	109.9	N53 Y57 L67 K70 A112	N53-F55 HydrophobicContact CB-CE2 3.55Å; N53-F55 HydrophobicContact CB-CZ 3.74Å; N53-F55 WeakPolarHBondContact O-CD2 3.33Å; N53-F55 VanDerWaalsContact O-CE2 3.28Å; N53-F55 WeakPolarHBondContact O-CE2 3.27Å; F55-Y57 HydrophobicContact CB-CD2 4.11Å; F55-Y57 HydrophobicContact CB-CE2 3.58Å; F55-Y57 HydrophobicContact CD1-CE2 4.4Å; F55-Y57 HydrophobicContact CG-CE2 4.15Å; F55-L67 HydrophobicContact CB-CD1 4.37Å; F55-L67 HydrophobicContact CD1-CD1 3.96Å; F55-K70 HydrophobicContact CD1-CB 3.98Å; F55-K70 HydrophobicContact CD1-CD 3.81Å; F55-K70 HydrophobicContact CD1-CG 3.63Å; F55-K70 HydrophobicContact CE1-CB 4.39Å; F55-K70 HydrophobicContact CE1-CD 3.33Å; F55-K70 HydrophobicContact CE1-CG 3.61Å; F55-K70 HydrophobicContact CG-CG 4.41Å; F55-K70 HydrophobicContact CZ-CD 4.11Å; F55-K70 VanDerWaalsContact CZ-CE 3.5Å; F55-K70 HydrophobicContact CZ-CG 4.33Å; F55-A112 HydrophobicContact CB-CB 4.35Å; F55-A112 PolarHBondContact N-O 3.1Å; F55-A112 PolarHBondContact O-N 3.48Å
56	W	98.8	Very high	93.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.5	158.8	-83	100.2	0	0	0	108.8	I40 C42 L68 L69 F94 L96 Y110 C111	I40-W56 HydrophobicContact CB-CH2 4.14Å; I40-W56 HydrophobicContact CG2-CH2 3.66Å; I40-W56 HydrophobicContact CG2-CZ3 4.27Å; C42-W56 HydrophobicContact CB-CH2 4.01Å; C42-W56 HydrophobicContact CB-CZ2 3.42Å; C42-W56 VanDerWaalsContact CB-CZ2 3.42Å; W56-L68 HydrophobicContact CB-CB 4.37Å; W56-L68 HydrophobicContact CB-CD2 4.36Å; W56-L68 WeakPolarHBondContact O-CA 3.43Å; W56-L68 WeakPolarHBondContact O-CB 3.37Å; W56-L68 PolarHBondContact O-N 3.43Å; W56-L69 HydrophobicContact CB-CD1 4.05Å; W56-L69 HydrophobicContact CB-CG 4.1Å; W56-L69 HydrophobicContact CG-CD1 4.36Å; W56-L69 PolarHBondContact N-O 2.97Å; W56-L69 PolarHBondContact O-N 2.89Å; W56-F94 AromaticContact CD1-CD1 3.45Å; W56-F94 VanDerWaalsContact CD1-CD1 3.45Å; W56-F94 AromaticContact CD1-CE1 3.29Å; W56-F94 HydrophobicContact CG-CE1 4.32Å; W56-F94 AromaticContact NE1-CD1 3.41Å; W56-F94 AromaticContact NE1-CE1 3.78Å; W56-F94 PolarHBondContact NE1-O 2.96Å; W56-L96 HydrophobicContact CB-CD1 4.27Å; W56-L96 HydrophobicContact CD2-CB 3.93Å; W56-L96 HydrophobicContact CD2-CD1 4.23Å; W56-L96 HydrophobicContact CD2-CD2 4Å; W56-L96 HydrophobicContact CD2-CG 4.29Å; W56-L96 HydrophobicContact CE3-CB 4.43Å; W56-L96 HydrophobicContact CE3-CD2 4Å; W56-L96 HydrophobicContact CG-CB 4.37Å; W56-L96 HydrophobicContact CG-CD1 3.85Å; W56-L96 HydrophobicContact CG-CD2 4.33Å; W56-L96 HydrophobicContact CG-CG 4.42Å; W56-L96 HydrophobicContact CH2-CB 4.2Å; W56-L96 HydrophobicContact CZ2-CB 3.65Å; W56-L96 HydrophobicContact CZ3-CD2 4.43Å; W56-Y110 WeakPolarHBondContact CA-O 3.15Å; W56-C111 HydrophobicContact CD2-CB 4.23Å; W56-C111 HydrophobicContact CE3-CB 4.15Å; W56-C111 HydrophobicContact CH2-CB 3.69Å; W56-C111 HydrophobicContact CZ2-CB 3.77Å; W56-C111 HydrophobicContact CZ3-CB 3.88Å
57	Y	98.7	Very high	93.8	Very high	68 Å²	68	64.1 Å²	64.1	27%	0.267	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.9	170.1	-66.1	-94.5	0	0	0	109.8	F55 L65 Q66 L67 Y109 Y110 A112	F55-Y57 HydrophobicContact CB-CD2 4.11Å; F55-Y57 HydrophobicContact CB-CE2 3.58Å; F55-Y57 HydrophobicContact CD1-CE2 4.4Å; F55-Y57 HydrophobicContact CG-CE2 4.15Å; Y57-L65 HydrophobicContact CD1-CD2 4.04Å; Y57-L65 HydrophobicContact CD1-CG 3.98Å; Y57-L65 HydrophobicContact CG-CD1 4.48Å; Y57-L65 HydrophobicContact CG-CD2 4.21Å; Y57-L65 HydrophobicContact CG-CG 4.23Å; Y57-Q66 CarbonylContact C-O 3.57Å; Y57-Q66 WeakPolarHBondContact CA-O 3.37Å; Y57-Q66 WeakPolarHBondContact CB-O 3.38Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.35Å; Y57-L67 HydrophobicContact CD1-CB 4.33Å; Y57-L67 HydrophobicContact CD1-CD1 4.3Å; Y57-L67 HydrophobicContact CE1-CB 4.14Å; Y57-L67 HydrophobicContact CE1-CD1 3.91Å; Y57-L67 HydrophobicContact CE2-CD1 4.4Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; Y57-Y110 PolarHBondContact N-O 2.92Å; Y57-Y110 PolarHBondContact O-N 2.84Å; Y57-A112 HydrophobicContact CD2-CB 4.35Å; Y57-A112 HydrophobicContact CE2-CB 4.16Å
58	V	98.7	Very high	94.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.2	176.2	62.8	0	0	0	0	109.6	Y60 Q66 L68 A107 V108 Y109	V58-Y60 HydrophobicContact CB-CE2 4.35Å; V58-Y60 HydrophobicContact CG1-CD2 4.44Å; V58-Y60 HydrophobicContact CG1-CE2 3.7Å; V58-Y60 HydrophobicContact CG2-CD2 4.18Å; V58-Y60 HydrophobicContact CG2-CE1 4.26Å; V58-Y60 HydrophobicContact CG2-CE2 3.67Å; V58-Q66 HydrophobicContact CG1-CB 4.11Å; V58-Q66 PolarHBondContact N-O 2.9Å; V58-Q66 PolarHBondContact O-N 2.94Å; V58-L68 HydrophobicContact CB-CB 4.31Å; V58-L68 HydrophobicContact CG1-CB 4.05Å; V58-L68 HydrophobicContact CG1-CD1 4.38Å; V58-A107 HydrophobicContact CG2-CB 3.55Å; V58-V108 CarbonylContact C-O 3.5Å; V58-V108 WeakPolarHBondContact CA-O 3.3Å; V58-Y109 HydrophobicContact CB-CD1 4.07Å; V58-Y109 HydrophobicContact CB-CE1 3.97Å; V58-Y109 HydrophobicContact CG2-CD1 3.98Å; V58-Y109 HydrophobicContact CG2-CE1 3.57Å; V58-Y109 HydrophobicContact CG2-CE2 4.41Å
59	R	98.5	Very high	95.4	Very high	129 Å²	129	56.8 Å²	56.8	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	105.9	173.3	-174.5	-177.5	-178.3	-167.9	-0.9	109.5	E63 L65 A107 V108 Y110	R59-E63 WeakPolarHBondContact CG-O 2.96Å; R59-E63 PolarHBondContact NE-O 2.88Å; R59-L65 HydrophobicContact CB-CD1 4.14Å; R59-A107 WeakPolarHBondContact O-CB 3.17Å; R59-V108 PolarHBondContact N-O 3.35Å; R59-V108 PolarHBondContact O-N 2.86Å; R59-Y110 HydrophobicContact CB-CE2 4.3Å
60	Y	98	Very high	96.4	Very high	30 Å²	30	57.8 Å²	57.8	12%	0.118	32%	0.32	C	S	.	.			trans	-74.8	156.8	174.4	-63.7	-82.2	0	0	0	111.3	V58 G62 E63 R81 S104 A107	V58-Y60 HydrophobicContact CB-CE2 4.35Å; V58-Y60 HydrophobicContact CG1-CD2 4.44Å; V58-Y60 HydrophobicContact CG1-CE2 3.7Å; V58-Y60 HydrophobicContact CG2-CD2 4.18Å; V58-Y60 HydrophobicContact CG2-CE1 4.26Å; V58-Y60 HydrophobicContact CG2-CE2 3.67Å; Y60-G62 PolarHBondContact O-N 2.84Å; Y60-E63 PolarHBondContact O-N 2.97Å; Y60-R81 PolarHBondContact OH-NH1 2.9Å; Y60-S104 WeakPolarHBondContact CE1-O 3.39Å; Y60-A107 HydrophobicContact CD1-CB 3.69Å; Y60-A107 HydrophobicContact CE1-CB 3.92Å; Y60-A107 HydrophobicContact CG-CB 4.23Å
61	P	97.6	Very high	97.2	Very high	107 Å²	107	54.5 Å²	54.5	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	125.7	174.8	-26.3	35.2	0	0	0	111.9	E63 S106	P61-E63 PolarHBondContact O-N 3.28Å; P61-S106 WeakPolarHBondContact CD-O 3.49Å
62	G	97.7	Very high	97.7	Very high	92 Å²	92	51.3 Å²	51.3	95%	0.948	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-3.4	-179.9	0	0	0	0	0	115.6	Y60	Y60-G62 PolarHBondContact O-N 2.84Å
63	E	97.4	Very high	97.8	Very high	92 Å²	92	55 Å²	55	43%	0.43	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-104	164.8	-179.3	-64.3	-173.1	-145.5	0	0	113.1	R59 Y60 P61 Q66	R59-E63 WeakPolarHBondContact CG-O 2.96Å; R59-E63 PolarHBondContact NE-O 2.88Å; Y60-E63 PolarHBondContact O-N 2.97Å; P61-E63 PolarHBondContact O-N 3.28Å; E63-Q66 PolarHBondContact OE2-NE2 3.12Å
64	G	97.8	Very high	97.7	Very high	49 Å²	49	54.3 Å²	54.3	51%	0.505	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-75.5	168	170.5	0	0	0	0	0	112.7	Q66	G64-Q66 PolarHBondContact O-N 2.82Å
65	L	98.2	Very high	97.5	Very high	102 Å²	102	57.2 Å²	57.2	53%	0.534	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.4	127	174.3	-168.8	70.6	0	0	0	110	Y57 R59 Y110	Y57-L65 HydrophobicContact CD1-CD2 4.04Å; Y57-L65 HydrophobicContact CD1-CG 3.98Å; Y57-L65 HydrophobicContact CG-CD1 4.48Å; Y57-L65 HydrophobicContact CG-CD2 4.21Å; Y57-L65 HydrophobicContact CG-CG 4.23Å; R59-L65 HydrophobicContact CB-CD1 4.14Å; L65-Y110 HydrophobicContact CD1-CD2 3.62Å; L65-Y110 HydrophobicContact CD1-CE2 3.93Å
66	Q	98.5	Very high	97.5	Very high	54 Å²	54	60.5 Å²	60.5	25%	0.252	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.3	180	-64.5	175.6	17	0	0	110.5	Y57 V58 E63 G64 L68	Y57-Q66 CarbonylContact C-O 3.57Å; Y57-Q66 WeakPolarHBondContact CA-O 3.37Å; Y57-Q66 WeakPolarHBondContact CB-O 3.38Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.35Å; V58-Q66 HydrophobicContact CG1-CB 4.11Å; V58-Q66 PolarHBondContact N-O 2.9Å; V58-Q66 PolarHBondContact O-N 2.94Å; E63-Q66 PolarHBondContact OE2-NE2 3.12Å; G64-Q66 PolarHBondContact O-N 2.82Å; Q66-L68 PolarHBondContact O-N 2.82Å
67	L	98.4	Very high	97.4	Very high	89 Å²	89	66 Å²	66	47%	0.466	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.4	168.5	-178.4	66.6	0	0	0	108.8	F55 Y57 K70	F55-L67 HydrophobicContact CB-CD1 4.37Å; F55-L67 HydrophobicContact CD1-CD1 3.96Å; Y57-L67 HydrophobicContact CD1-CB 4.33Å; Y57-L67 HydrophobicContact CD1-CD1 4.3Å; Y57-L67 HydrophobicContact CE1-CB 4.14Å; Y57-L67 HydrophobicContact CE1-CD1 3.91Å; Y57-L67 HydrophobicContact CE2-CD1 4.4Å; L67-K70 HydrophobicContact CD1-CB 4.4Å; L67-K70 HydrophobicContact CD2-CB 4.4Å
68	L	98.7	Very high	97.4	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-57.3	174.7	177.9	62.9	0	0	0	110	W56 V58 Q66 S80 R81 F83 L96 Y109	W56-L68 HydrophobicContact CB-CB 4.37Å; W56-L68 HydrophobicContact CB-CD2 4.36Å; W56-L68 WeakPolarHBondContact O-CA 3.43Å; W56-L68 WeakPolarHBondContact O-CB 3.37Å; W56-L68 PolarHBondContact O-N 3.43Å; V58-L68 HydrophobicContact CB-CB 4.31Å; V58-L68 HydrophobicContact CG1-CB 4.05Å; V58-L68 HydrophobicContact CG1-CD1 4.38Å; Q66-L68 PolarHBondContact O-N 2.82Å; L68-S80 WeakPolarHBondContact O-CB 3.05Å; L68-S80 PolarHBondContact O-OG 2.68Å; L68-R81 HydrophobicContact CD1-CB 4.39Å; L68-R81 HydrophobicContact CD1-CG 4.42Å; L68-F83 HydrophobicContact CD1-CD2 4.19Å; L68-F83 HydrophobicContact CD2-CB 4.07Å; L68-F83 HydrophobicContact CD2-CD2 4.15Å; L68-F83 HydrophobicContact CD2-CG 4.02Å; L68-L96 HydrophobicContact CD2-CD1 4.05Å; L68-L96 HydrophobicContact CD2-CD2 3.93Å; L68-Y109 HydrophobicContact CD2-CD1 3.96Å; L68-Y109 HydrophobicContact CD2-CE1 3.8Å
69	L	98.5	Very high	97.4	Very high	10 Å²	10	67 Å²	67	5%	0.052	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.1	177.3	60.5	78.5	0	0	0	111.3	W56 A85 F94 L96	W56-L69 HydrophobicContact CB-CD1 4.05Å; W56-L69 HydrophobicContact CB-CG 4.1Å; W56-L69 HydrophobicContact CG-CD1 4.36Å; W56-L69 PolarHBondContact N-O 2.97Å; W56-L69 PolarHBondContact O-N 2.89Å; L69-A85 HydrophobicContact CD1-CB 3.95Å; L69-A85 HydrophobicContact CD2-CB 4.28Å; L69-F94 HydrophobicContact CD1-CE1 3.78Å; L69-F94 HydrophobicContact CD1-CE2 4.49Å; L69-F94 HydrophobicContact CD1-CZ 3.44Å; L69-F94 VanDerWaalsContact CD1-CZ 3.44Å; L69-L96 HydrophobicContact CD2-CD1 3.91Å
70	K	98	Very high	97.4	Very high	97 Å²	97	62.6 Å²	62.6	42%	0.422	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.4	179.8	176.7	-176.6	-176	-176	0	109.7	L54 F55 L67 I72	L54-K70 CarbonylContact O-C 3.52Å; L54-K70 WeakPolarHBondContact O-CA 3.44Å; F55-K70 HydrophobicContact CD1-CB 3.98Å; F55-K70 HydrophobicContact CD1-CD 3.81Å; F55-K70 HydrophobicContact CD1-CG 3.63Å; F55-K70 HydrophobicContact CE1-CB 4.39Å; F55-K70 HydrophobicContact CE1-CD 3.33Å; F55-K70 HydrophobicContact CE1-CG 3.61Å; F55-K70 HydrophobicContact CG-CG 4.41Å; F55-K70 HydrophobicContact CZ-CD 4.11Å; F55-K70 VanDerWaalsContact CZ-CE 3.5Å; F55-K70 HydrophobicContact CZ-CG 4.33Å; L67-K70 HydrophobicContact CD1-CB 4.4Å; L67-K70 HydrophobicContact CD2-CB 4.4Å; K70-I72 HydrophobicContact CD-CD1 4.29Å
71	V	98	Very high	97.3	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.8	172.8	-177.9	0	0	0	0	109.5	L54 Q76 G78 Y87 F94	L54-V71 PolarHBondContact N-O 2.82Å; L54-V71 PolarHBondContact O-N 3.23Å; V71-Q76 HydrophobicContact CG1-CB 3.41Å; V71-Q76 VanDerWaalsContact CG1-CB 3.41Å; V71-G78 VanDerWaalsContact CG2-N 3.34Å; V71-Y87 HydrophobicContact CG1-CD1 4.03Å; V71-Y87 HydrophobicContact CG1-CG 4.47Å; V71-F94 HydrophobicContact CB-CE2 3.88Å; V71-F94 HydrophobicContact CB-CZ 3.93Å; V71-F94 HydrophobicContact CG2-CE2 3.67Å; V71-F94 HydrophobicContact CG2-CZ 3.69Å
72	I	95.3	Very high	97.3	Very high	79 Å²	79	64.6 Å²	64.6	41%	0.405	39%	0.393	S	S	.	.			trans	-96.8	-47.5	-176.8	-61	-73.8	0	0	0	110.6	N53 K70	N53-I72 HydrophobicContact CB-CD1 4.19Å; N53-I72 WeakPolarHBondContact OD1-CD1 3.03Å; N53-I72 WeakPolarHBondContact OD1-CG2 3.13Å; K70-I72 HydrophobicContact CD-CD1 4.29Å
73	T	94.5	Very high	97.4	Very high	78 Å²	78	60.2 Å²	60.2	48%	0.479	35%	0.348	S	S	.	.	S	Bend	trans	-100.6	132.8	-170.1	-50.5	0	0	0	0	110.6	G75 Q76	T73-G75 PolarHBondContact O-N 2.02Å; T73-Q76 VanDerWaalsContact CB-OE1 3.32Å; T73-Q76 VanDerWaalsContact N-OE1 3.08Å; T73-Q76 VanDerWaalsContact O-CB 3.26Å; T73-Q76 WeakPolarHBondContact O-CB 3.19Å; T73-Q76 PolarHBondContact O-N 3.22Å; T73-Q76 VanDerWaalsContact O-N 3.1Å
74	A	93.3	Very high	97.5	Very high	28 Å²	28	59 Å²	59	23%	0.231	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.4	171.9	0	0	0	0	0	111.8	Y51 Q76 Y87 K89	Y51-A74 HydrophobicContact CD1-CB 4.36Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 2.84Å; A74-Y87 HydrophobicContact CB-CD1 4.47Å; A74-Y87 HydrophobicContact CB-CD2 4.44Å; A74-Y87 HydrophobicContact CB-CE1 4.36Å; A74-Y87 HydrophobicContact CB-CE2 4.27Å; A74-K89 HydrophobicContact CB-CB 4.03Å; A74-K89 HydrophobicContact CB-CD 4.15Å; A74-K89 HydrophobicContact CB-CG 4.43Å
75	G	95	Very high	97.5	Very high	61 Å²	61	56.8 Å²	56.8	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-11.2	-176.2	0	0	0	0	0	114.6	T73 Y87	T73-G75 PolarHBondContact O-N 2.02Å; G75-Y87 WeakPolarHBondContact CA-O 3.32Å; G75-Y87 PolarHBondContact N-O 3.31Å
76	Q	97.3	Very high	97.5	Very high	95 Å²	95	55 Å²	55	44%	0.444	31%	0.312	S	S	.	.			trans	-75.3	154.7	172.7	-72.2	-177.8	-39.9	0	0	111.7	V71 T73 A74 Y87	V71-Q76 HydrophobicContact CG1-CB 3.41Å; V71-Q76 VanDerWaalsContact CG1-CB 3.41Å; T73-Q76 VanDerWaalsContact CB-OE1 3.32Å; T73-Q76 VanDerWaalsContact N-OE1 3.08Å; T73-Q76 VanDerWaalsContact O-CB 3.26Å; T73-Q76 WeakPolarHBondContact O-CB 3.19Å; T73-Q76 PolarHBondContact O-N 3.22Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; A74-Q76 VanDerWaalsContact C-N 3.28Å; A74-Q76 PolarHBondContact O-N 2.84Å; Q76-Y87 PolarHBondContact O-N 2.92Å
77	K	98.1	Very high	97.5	Very high	117 Å²	117	52.4 Å²	52.4	51%	0.509	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.8	173.4	-174.5	-179.6	-176.9	-169.9	0	109.2	E84 A85	K77-E84 VanDerWaalsContact CE-OE1 3.3Å; K77-E84 WeakPolarHBondContact CE-OE1 3.44Å; K77-E84 WeakPolarHBondContact CE-OE2 3.19Å; K77-E84 IonicContact NZ-OE1 2.84Å; K77-E84 PolarHBondContact NZ-OE1 2.87Å; K77-E84 IonicContact NZ-OE2 2.64Å; K77-E84 PolarHBondContact NZ-OE2 3.14Å; K77-A85 WeakPolarHBondContact CA-O 3.47Å
78	G	98.1	Very high	97.4	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.6	170	0	0	0	0	0	110.4	V71 E84 A85	V71-G78 VanDerWaalsContact CG2-N 3.34Å; G78-E84 VanDerWaalsContact O-CA 3.27Å; G78-E84 WeakPolarHBondContact O-CA 3.43Å; G78-A85 PolarHBondContact N-O 2.89Å; G78-A85 PolarHBondContact O-N 3.23Å
79	S	98.4	Very high	97.2	Very high	79 Å²	79	55.9 Å²	55.9	55%	0.552	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.4	173.4	-176.7	0	0	0	0	110.9	F83	S79-F83 CarbonylContact C-O 3.5Å; S79-F83 WeakPolarHBondContact CA-O 3.4Å; S79-F83 PolarHBondContact OG-O 2.86Å
80	S	98.4	Very high	97	Very high	35 Å²	35	63.2 Å²	63.2	25%	0.245	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	134.6	177.8	-177.8	0	0	0	0	110.4	L68 G82 F83	L68-S80 WeakPolarHBondContact O-CB 3.05Å; L68-S80 PolarHBondContact O-OG 2.68Å; S80-G82 PolarHBondContact O-N 2.95Å; S80-G82 VanDerWaalsContact O-N 3.12Å; S80-F83 PolarHBondContact N-O 3.34Å; S80-F83 WeakPolarHBondContact O-CA 2.96Å; S80-F83 WeakPolarHBondContact O-CB 3.25Å; S80-F83 PolarHBondContact O-N 2.84Å
81	R	97.1	Very high	96.9	Very high	130 Å²	130	62.3 Å²	62.3	49%	0.491	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34.1	178.2	-53.3	-177.7	-172.5	-179.6	4.9	114.2	Y60 L68 F83 K98	Y60-R81 PolarHBondContact OH-NH1 2.9Å; L68-R81 HydrophobicContact CD1-CB 4.39Å; L68-R81 HydrophobicContact CD1-CG 4.42Å; R81-F83 HydrophobicContact CB-CD2 4.41Å; R81-F83 PolarHBondContact O-N 3.22Å; R81-K98 PolarHBondContact O-NZ 2.71Å
82	G	97.7	Very high	96.8	Very high	49 Å²	49	65.1 Å²	65.1	51%	0.505	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-1.5	-176.6	0	0	0	0	0	115	S80	S80-G82 PolarHBondContact O-N 2.95Å; S80-G82 VanDerWaalsContact O-N 3.12Å
83	F	98.7	Very high	96.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	150.1	168.4	-68.3	-86.5	0	0	0	111	L38 L68 S79 S80 R81 L96 Q97 K98 D105 Y109	L38-F83 HydrophobicContact CD2-CE1 4.3Å; L68-F83 HydrophobicContact CD1-CD2 4.19Å; L68-F83 HydrophobicContact CD2-CB 4.07Å; L68-F83 HydrophobicContact CD2-CD2 4.15Å; L68-F83 HydrophobicContact CD2-CG 4.02Å; S79-F83 CarbonylContact C-O 3.5Å; S79-F83 WeakPolarHBondContact CA-O 3.4Å; S79-F83 PolarHBondContact OG-O 2.86Å; S80-F83 PolarHBondContact N-O 3.34Å; S80-F83 WeakPolarHBondContact O-CA 2.96Å; S80-F83 WeakPolarHBondContact O-CB 3.25Å; S80-F83 PolarHBondContact O-N 2.84Å; R81-F83 HydrophobicContact CB-CD2 4.41Å; R81-F83 PolarHBondContact O-N 3.22Å; F83-L96 HydrophobicContact CB-CD1 3.89Å; F83-L96 HydrophobicContact CB-CG 4.41Å; F83-L96 HydrophobicContact CD1-CD1 4.23Å; F83-L96 HydrophobicContact CD1-CD2 3.84Å; F83-L96 HydrophobicContact CD1-CG 3.82Å; F83-L96 HydrophobicContact CE1-CD2 4.28Å; F83-L96 HydrophobicContact CG-CD1 4.42Å; F83-L96 HydrophobicContact CG-CG 4.47Å; F83-Q97 CarbonylContact C-O 3.48Å; F83-Q97 VanDerWaalsContact CA-O 3.25Å; F83-Q97 WeakPolarHBondContact CA-O 3.2Å; F83-K98 HydrophobicContact CD1-CB 3.7Å; F83-K98 HydrophobicContact CD1-CD 4Å; F83-K98 HydrophobicContact CD1-CG 4.44Å; F83-K98 HydrophobicContact CD2-CD 4Å; F83-K98 HydrophobicContact CE1-CB 3.72Å; F83-K98 HydrophobicContact CE1-CD 3.66Å; F83-K98 HydrophobicContact CE1-CG 4.33Å; F83-K98 HydrophobicContact CE2-CD 3.64Å; F83-K98 HydrophobicContact CG-CB 4.4Å; F83-K98 HydrophobicContact CG-CD 4.16Å; F83-K98 HydrophobicContact CZ-CB 4.4Å; F83-K98 HydrophobicContact CZ-CD 3.45Å; F83-K98 VanDerWaalsContact CZ-CD 3.45Å; F83-D105 WeakPolarHBondContact CE2-OD1 3.28Å; F83-D105 HydrophobicContact CZ-CB 4.03Å; F83-Y109 HydrophobicContact CE1-CE1 4.04Å; F83-Y109 HydrophobicContact CE2-CE1 4.15Å; F83-Y109 WeakPolarHBondContact CE2-OH 3.37Å; F83-Y109 AromaticContact CZ-CE1 3.84Å; F83-Y109 HydrophobicContact CZ-CE1 3.84Å; F83-Y109 AromaticContact CZ-CZ 3.61Å; F83-Y109 WeakPolarHBondContact CZ-OH 3.47Å
84	E	98.8	Very high	97.1	Very high	68 Å²	68	58 Å²	58	32%	0.318	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.6	178.5	-59.2	-173.4	127.8	0	0	111	K77 G78 L96 Q97	K77-E84 VanDerWaalsContact CE-OE1 3.3Å; K77-E84 WeakPolarHBondContact CE-OE1 3.44Å; K77-E84 WeakPolarHBondContact CE-OE2 3.19Å; K77-E84 IonicContact NZ-OE1 2.84Å; K77-E84 PolarHBondContact NZ-OE1 2.87Å; K77-E84 IonicContact NZ-OE2 2.64Å; K77-E84 PolarHBondContact NZ-OE2 3.14Å; G78-E84 VanDerWaalsContact O-CA 3.27Å; G78-E84 WeakPolarHBondContact O-CA 3.43Å; E84-L96 CarbonylContact O-C 3.58Å; E84-Q97 PolarHBondContact N-O 3.45Å; E84-Q97 PolarHBondContact O-N 2.81Å
85	A	98.8	Very high	97.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	133.1	170.5	0	0	0	0	0	110.4	L69 K77 G78 F94 H95 L96	L69-A85 HydrophobicContact CD1-CB 3.95Å; L69-A85 HydrophobicContact CD2-CB 4.28Å; K77-A85 WeakPolarHBondContact CA-O 3.47Å; G78-A85 PolarHBondContact N-O 2.89Å; G78-A85 PolarHBondContact O-N 3.23Å; A85-F94 HydrophobicContact CB-CD1 4.36Å; A85-F94 HydrophobicContact CB-CD2 3.83Å; A85-F94 HydrophobicContact CB-CE1 4.1Å; A85-F94 HydrophobicContact CB-CE2 3.5Å; A85-F94 HydrophobicContact CB-CG 4.25Å; A85-F94 HydrophobicContact CB-CZ 3.66Å; A85-H95 WeakPolarHBondContact CA-O 3.46Å; A85-H95 WeakPolarHBondContact CB-O 3.31Å; A85-L96 HydrophobicContact CB-CD1 4.32Å
86	T	98.4	Very high	97.5	Very high	64 Å²	64	56.4 Å²	56.4	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.3	178.1	-58.7	0	0	0	0	109.3	N88	T86-N88 PolarHBondContact O-N 2.89Å; T86-N88 VanDerWaalsContact O-N 3.1Å
87	Y	97.9	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.			trans	-76.8	95.5	173.8	-175.1	170.9	0	0	0	109.5	Y44 Y51 P52 L54 V71 A74 G75 Q76	Y44-Y87 HydrophobicContact CE1-CD2 4.37Å; Y44-Y87 AromaticContact CE1-CE2 3.81Å; Y44-Y87 HydrophobicContact CE1-CE2 3.81Å; Y44-Y87 AromaticContact CZ-CE2 3.82Å; Y44-Y87 WeakPolarHBondContact OH-CE2 3.43Å; Y51-Y87 WeakPolarHBondContact CA-OH 3.4Å; P52-Y87 WeakPolarHBondContact CD-OH 3.41Å; P52-Y87 WeakPolarHBondContact O-CE1 3.48Å; P52-Y87 PolarHBondContact O-OH 2.92Å; L54-Y87 HydrophobicContact CD1-CD1 3.97Å; L54-Y87 HydrophobicContact CD1-CD2 3.44Å; L54-Y87 VanDerWaalsContact CD1-CD2 3.44Å; L54-Y87 HydrophobicContact CD1-CE1 4.02Å; L54-Y87 HydrophobicContact CD1-CE2 3.54Å; L54-Y87 HydrophobicContact CD1-CG 3.68Å; L54-Y87 HydrophobicContact CG-CD1 4.3Å; L54-Y87 HydrophobicContact CG-CE1 4.12Å; L54-Y87 HydrophobicContact CG-CE2 4.39Å; L54-Y87 HydrophobicContact CG-CG 4.48Å; V71-Y87 HydrophobicContact CG1-CD1 4.03Å; V71-Y87 HydrophobicContact CG1-CG 4.47Å; A74-Y87 HydrophobicContact CB-CD1 4.47Å; A74-Y87 HydrophobicContact CB-CD2 4.44Å; A74-Y87 HydrophobicContact CB-CE1 4.36Å; A74-Y87 HydrophobicContact CB-CE2 4.27Å; G75-Y87 WeakPolarHBondContact CA-O 3.32Å; G75-Y87 PolarHBondContact N-O 3.31Å; Q76-Y87 PolarHBondContact O-N 2.92Å
88	N	97.1	Very high	97.6	Very high	57 Å²	57	51 Å²	51	31%	0.305	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-96.5	106.9	176	-172	-27	0	0	0	111	T86 E90 T91 T92 S93	T86-N88 PolarHBondContact O-N 2.89Å; T86-N88 VanDerWaalsContact O-N 3.1Å; N88-E90 WeakPolarHBondContact OD1-CB 3.18Å; N88-E90 PolarHBondContact OD1-N 3.48Å; N88-T91 PolarHBondContact ND2-OG1 3.31Å; N88-T91 PolarHBondContact OD1-N 2.78Å; N88-T91 PolarHBondContact OD1-OG1 2.86Å; N88-T92 WeakPolarHBondContact O-CA 3.34Å; N88-T92 PolarHBondContact O-N 2.81Å; N88-T92 VanDerWaalsContact O-N 3.12Å; N88-S93 PolarHBondContact N-O 3.12Å; N88-S93 PolarHBondContact O-N 2.92Å
89	K	93.7	Very high	97.6	Very high	112 Å²	112	54.7 Å²	54.7	49%	0.487	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-30.2	178.5	68.4	177.1	-175.2	177.7	0	113.9	A74 T92	A74-K89 HydrophobicContact CB-CB 4.03Å; A74-K89 HydrophobicContact CB-CD 4.15Å; A74-K89 HydrophobicContact CB-CG 4.43Å; K89-T92 PolarHBondContact O-N 2.82Å
90	E	94.1	Very high	97.6	Very high	164 Å²	164	53.6 Å²	53.6	77%	0.766	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-37.2	-173.2	-62.8	179.1	177.9	0	0	110.6	N88	N88-E90 WeakPolarHBondContact OD1-CB 3.18Å; N88-E90 PolarHBondContact OD1-N 3.48Å
91	T	96.2	Very high	97.6	Very high	77 Å²	77	52.5 Å²	52.5	47%	0.472	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.2	175.9	60.7	0	0	0	0	113.1	N88 S93	N88-T91 PolarHBondContact ND2-OG1 3.31Å; N88-T91 PolarHBondContact OD1-N 2.78Å; N88-T91 PolarHBondContact OD1-OG1 2.86Å; T91-S93 VanDerWaalsContact C-N 3.25Å; T91-S93 PolarHBondContact O-N 3.25Å; T91-S93 PolarHBondContact OG1-OG 2.75Å
92	T	95.8	Very high	97.6	Very high	64 Å²	64	51.7 Å²	51.7	39%	0.393	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	48.4	-176.9	53.9	0	0	0	0	112.4	T43 Y44 N88 K89	T43-T92 CarbonylContact C-O 3.58Å; T43-T92 WeakPolarHBondContact CA-O 3.36Å; T43-T92 WeakPolarHBondContact CB-O 3.43Å; Y44-T92 WeakPolarHBondContact CD1-O 3.25Å; Y44-T92 HydrophobicContact CE2-CG2 4.39Å; Y44-T92 PolarHBondContact N-O 2.82Å; Y44-T92 WeakPolarHBondContact O-CB 3.36Å; N88-T92 WeakPolarHBondContact O-CA 3.34Å; N88-T92 PolarHBondContact O-N 2.81Å; N88-T92 VanDerWaalsContact O-N 3.12Å; K89-T92 PolarHBondContact O-N 2.82Å
93	S	97.8	Very high	97.6	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.049	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-131.3	154.2	-168.9	71.1	0	0	0	0	114.6	C42 N88 T91 H95	C42-S93 WeakPolarHBondContact O-CA 3.27Å; N88-S93 PolarHBondContact N-O 3.12Å; N88-S93 PolarHBondContact O-N 2.92Å; T91-S93 VanDerWaalsContact C-N 3.25Å; T91-S93 PolarHBondContact O-N 3.25Å; T91-S93 PolarHBondContact OG1-OG 2.75Å; S93-H95 WeakPolarHBondContact CB-CE1 3.47Å
94	F	98.2	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.			trans	-150.1	56.2	179.7	-166.5	-127.3	0	0	0	111	C42 L54 W56 L69 V71 A85 L96	C42-F94 PolarHBondContact O-N 2.92Å; L54-F94 HydrophobicContact CB-CB 4.42Å; L54-F94 HydrophobicContact CB-CD1 3.55Å; L54-F94 HydrophobicContact CB-CD2 4.2Å; L54-F94 HydrophobicContact CB-CE1 3.67Å; L54-F94 HydrophobicContact CB-CE2 4.33Å; L54-F94 HydrophobicContact CB-CG 3.82Å; L54-F94 HydrophobicContact CB-CZ 4.07Å; L54-F94 HydrophobicContact CD1-CB 3.68Å; L54-F94 HydrophobicContact CD1-CD1 4.39Å; L54-F94 HydrophobicContact CD1-CD2 4.13Å; L54-F94 HydrophobicContact CD1-CG 3.84Å; L54-F94 HydrophobicContact CG-CG 4.45Å; W56-F94 AromaticContact CD1-CD1 3.45Å; W56-F94 VanDerWaalsContact CD1-CD1 3.45Å; W56-F94 AromaticContact CD1-CE1 3.29Å; W56-F94 HydrophobicContact CG-CE1 4.32Å; W56-F94 AromaticContact NE1-CD1 3.41Å; W56-F94 AromaticContact NE1-CE1 3.78Å; W56-F94 PolarHBondContact NE1-O 2.96Å; L69-F94 HydrophobicContact CD1-CE1 3.78Å; L69-F94 HydrophobicContact CD1-CE2 4.49Å; L69-F94 HydrophobicContact CD1-CZ 3.44Å; L69-F94 VanDerWaalsContact CD1-CZ 3.44Å; V71-F94 HydrophobicContact CB-CE2 3.88Å; V71-F94 HydrophobicContact CB-CZ 3.93Å; V71-F94 HydrophobicContact CG2-CE2 3.67Å; V71-F94 HydrophobicContact CG2-CZ 3.69Å; A85-F94 HydrophobicContact CB-CD1 4.36Å; A85-F94 HydrophobicContact CB-CD2 3.83Å; A85-F94 HydrophobicContact CB-CE1 4.1Å; A85-F94 HydrophobicContact CB-CE2 3.5Å; A85-F94 HydrophobicContact CB-CG 4.25Å; A85-F94 HydrophobicContact CB-CZ 3.66Å; F94-L96 PolarHBondContact O-N 2.86Å
95	H	98.7	Very high	97.5	Very high	54 Å²	54	58 Å²	58	25%	0.25	32%	0.317	C	S	.	.			trans	-64.8	133.2	-176.1	-53.2	-20.6	0	0	0	111.1	I39 I40 C42 A85 S93	I39-H95 HydrophobicContact CG2-CB 4.26Å; I40-H95 CarbonylContact O-C 3.57Å; I40-H95 WeakPolarHBondContact O-CA 3.37Å; C42-H95 PolarHBondContact N-ND1 3.4Å; C42-H95 VanDerWaalsContact N-ND1 3.12Å; C42-H95 PolarHBondContact O-CE1 2.87Å; C42-H95 VanDerWaalsContact O-CE1 3.31Å; C42-H95 PolarHBondContact O-ND1 2.94Å; A85-H95 WeakPolarHBondContact CA-O 3.46Å; A85-H95 WeakPolarHBondContact CB-O 3.31Å; S93-H95 WeakPolarHBondContact CB-CE1 3.47Å
96	L	98.8	Very high	97.4	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.7	174	-167.6	66.1	0	0	0	109.3	I39 I40 W56 L68 L69 F83 E84 A85 F94 Y109	I39-L96 CarbonylContact C-O 3.49Å; I39-L96 WeakPolarHBondContact CA-O 3.25Å; I40-L96 HydrophobicContact CB-CB 4.28Å; I40-L96 HydrophobicContact CD1-CD2 4.44Å; I40-L96 PolarHBondContact N-O 3.22Å; I40-L96 PolarHBondContact O-N 3.1Å; W56-L96 HydrophobicContact CB-CD1 4.27Å; W56-L96 HydrophobicContact CD2-CB 3.93Å; W56-L96 HydrophobicContact CD2-CD1 4.23Å; W56-L96 HydrophobicContact CD2-CD2 4Å; W56-L96 HydrophobicContact CD2-CG 4.29Å; W56-L96 HydrophobicContact CE3-CB 4.43Å; W56-L96 HydrophobicContact CE3-CD2 4Å; W56-L96 HydrophobicContact CG-CB 4.37Å; W56-L96 HydrophobicContact CG-CD1 3.85Å; W56-L96 HydrophobicContact CG-CD2 4.33Å; W56-L96 HydrophobicContact CG-CG 4.42Å; W56-L96 HydrophobicContact CH2-CB 4.2Å; W56-L96 HydrophobicContact CZ2-CB 3.65Å; W56-L96 HydrophobicContact CZ3-CD2 4.43Å; L68-L96 HydrophobicContact CD2-CD1 4.05Å; L68-L96 HydrophobicContact CD2-CD2 3.93Å; L69-L96 HydrophobicContact CD2-CD1 3.91Å; F83-L96 HydrophobicContact CB-CD1 3.89Å; F83-L96 HydrophobicContact CB-CG 4.41Å; F83-L96 HydrophobicContact CD1-CD1 4.23Å; F83-L96 HydrophobicContact CD1-CD2 3.84Å; F83-L96 HydrophobicContact CD1-CG 3.82Å; F83-L96 HydrophobicContact CE1-CD2 4.28Å; F83-L96 HydrophobicContact CG-CD1 4.42Å; F83-L96 HydrophobicContact CG-CG 4.47Å; E84-L96 CarbonylContact O-C 3.58Å; A85-L96 HydrophobicContact CB-CD1 4.32Å; F94-L96 PolarHBondContact O-N 2.86Å; L96-Y109 HydrophobicContact CD2-CD1 3.5Å; L96-Y109 HydrophobicContact CD2-CE1 4.03Å; L96-Y109 HydrophobicContact CD2-CG 4.14Å
97	Q	98.6	Very high	97.4	Very high	83 Å²	83	59.9 Å²	59.9	39%	0.388	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147	-177.2	-55	-176.3	4.3	0	0	110.4	L38 I39 F83 E84	L38-Q97 CarbonylContact O-C 3.56Å; L38-Q97 VanDerWaalsContact O-CA 3.27Å; L38-Q97 WeakPolarHBondContact O-CA 3.47Å; I39-Q97 HydrophobicContact CG1-CG 4.13Å; I39-Q97 HydrophobicContact CG2-CG 4.31Å; F83-Q97 CarbonylContact C-O 3.48Å; F83-Q97 VanDerWaalsContact CA-O 3.25Å; F83-Q97 WeakPolarHBondContact CA-O 3.2Å; E84-Q97 PolarHBondContact N-O 3.45Å; E84-Q97 PolarHBondContact O-N 2.81Å
98	K	98.6	Very high	97.4	Very high	17 Å²	17	63.4 Å²	63.4	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	128.1	167.9	-177.8	155.9	-176.4	160.5	0	109	S37 L38 R81 F83 S100 V101 D105	S37-K98 CarbonylContact C-O 3.54Å; S37-K98 VanDerWaalsContact CA-O 3.29Å; S37-K98 WeakPolarHBondContact CA-O 3.11Å; L38-K98 PolarHBondContact N-O 3.1Å; L38-K98 PolarHBondContact O-N 2.88Å; R81-K98 PolarHBondContact O-NZ 2.71Å; F83-K98 HydrophobicContact CD1-CB 3.7Å; F83-K98 HydrophobicContact CD1-CD 4Å; F83-K98 HydrophobicContact CD1-CG 4.44Å; F83-K98 HydrophobicContact CD2-CD 4Å; F83-K98 HydrophobicContact CE1-CB 3.72Å; F83-K98 HydrophobicContact CE1-CD 3.66Å; F83-K98 HydrophobicContact CE1-CG 4.33Å; F83-K98 HydrophobicContact CE2-CD 3.64Å; F83-K98 HydrophobicContact CG-CB 4.4Å; F83-K98 HydrophobicContact CG-CD 4.16Å; F83-K98 HydrophobicContact CZ-CB 4.4Å; F83-K98 HydrophobicContact CZ-CD 3.45Å; F83-K98 VanDerWaalsContact CZ-CD 3.45Å; K98-S100 WeakPolarHBondContact CE-O 2.96Å; K98-V101 HydrophobicContact CB-CG1 4.35Å; K98-V101 HydrophobicContact CD-CG1 4.49Å; K98-V101 HydrophobicContact CG-CG1 4.32Å; K98-D105 WeakPolarHBondContact CD-OD2 3.45Å; K98-D105 WeakPolarHBondContact CE-OD2 3.39Å; K98-D105 IonicContact NZ-OD1 2.68Å; K98-D105 PolarHBondContact NZ-OD1 3Å; K98-D105 IonicContact NZ-OD2 2.82Å; K98-D105 PolarHBondContact NZ-OD2 2.64Å
99	A	98.3	Very high	97.5	Very high	86 Å²	86	61.5 Å²	61.5	71%	0.711	35%	0.345	S	S	*	.	S	Bend	trans	-72.1	-29.4	-174.2	0	0	0	0	0	113.5
100	S	98.1	Very high	97.7	Very high	56 Å²	56	60.8 Å²	60.8	39%	0.392	34%	0.34	S	S	.	.	S	Bend	trans	-147	105.7	-178.2	-178.7	0	0	0	0	108.3	S35 E36 K98	S35-S100 WeakPolarHBondContact CA-OG 3.15Å; E36-S100 WeakPolarHBondContact O-CA 3.34Å; K98-S100 WeakPolarHBondContact CE-O 2.96Å
101	V	98.2	Very high	97.9	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	31%	0.306	C	S	.	.			trans	-80.1	149.8	178.4	-62	0	0	0	0	111.8	V32 S33 S35 E36 L38 K98	V32-V101 HydrophobicContact CB-CG2 4.25Å; V32-V101 HydrophobicContact CG1-CG2 3.74Å; S33-V101 WeakPolarHBondContact O-CG2 3.26Å; S35-V101 PolarHBondContact N-O 3Å; E36-V101 WeakPolarHBondContact O-CG2 3.39Å; E36-V101 PolarHBondContact O-N 3.12Å; L38-V101 HydrophobicContact CB-CG1 3.44Å; L38-V101 VanDerWaalsContact CB-CG1 3.44Å; L38-V101 HydrophobicContact CD2-CG1 4.07Å; L38-V101 HydrophobicContact CG-CG1 4.4Å; K98-V101 HydrophobicContact CB-CG1 4.35Å; K98-V101 HydrophobicContact CD-CG1 4.49Å; K98-V101 HydrophobicContact CG-CG1 4.32Å
102	Q	98	Very high	98	Very high	113 Å²	113	51 Å²	51	53%	0.528	29%	0.294	S	S	.	.			trans	-124.7	158.2	175.1	-63.4	171.8	48.3	0	0	109.4	S104 D105	Q102-S104 PolarHBondContact O-N 3.29Å; Q102-S104 VanDerWaalsContact O-N 3.1Å; Q102-D105 PolarHBondContact N-OD2 3.35Å; Q102-D105 VanDerWaalsContact O-CB 3.25Å; Q102-D105 WeakPolarHBondContact O-CB 3.27Å; Q102-D105 PolarHBondContact O-N 3.17Å
103	E	96.9	Very high	97.9	Very high	150 Å²	150	49.6 Å²	49.6	70%	0.701	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-51.4	-36.9	174.9	-173.4	-178.9	-174	0	0	112.9	E34 D105 S106	E34-E103 WeakPolarHBondContact OE1-CB 3.34Å; E34-E103 PolarHBondContact OE1-N 2.99Å; E34-E103 VanDerWaalsContact OE1-N 3.13Å; E103-D105 PolarHBondContact O-N 2.93Å; E103-D105 VanDerWaalsContact O-N 3.1Å; E103-S106 VanDerWaalsContact O-CB 3.23Å; E103-S106 WeakPolarHBondContact O-CB 3.41Å; E103-S106 PolarHBondContact O-N 2.84Å; E103-S106 PolarHBondContact O-OG 2.92Å
104	S	96.8	Very high	97.5	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.6	-11.5	176.8	65.4	0	0	0	0	115.1	Y60 Q102 S106	Y60-S104 WeakPolarHBondContact CE1-O 3.39Å; Q102-S104 PolarHBondContact O-N 3.29Å; Q102-S104 VanDerWaalsContact O-N 3.1Å; S104-S106 VanDerWaalsContact C-N 3.27Å
105	D	98	Very high	97.5	Very high	18 Å²	18	55.1 Å²	55.1	10%	0.096	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-82.5	-2.6	172.4	-64.9	-46.8	0	0	0	113.2	F83 K98 Q102 E103 A107 Y109	F83-D105 WeakPolarHBondContact CE2-OD1 3.28Å; F83-D105 HydrophobicContact CZ-CB 4.03Å; K98-D105 WeakPolarHBondContact CD-OD2 3.45Å; K98-D105 WeakPolarHBondContact CE-OD2 3.39Å; K98-D105 IonicContact NZ-OD1 2.68Å; K98-D105 PolarHBondContact NZ-OD1 3Å; K98-D105 IonicContact NZ-OD2 2.82Å; K98-D105 PolarHBondContact NZ-OD2 2.64Å; Q102-D105 PolarHBondContact N-OD2 3.35Å; Q102-D105 VanDerWaalsContact O-CB 3.25Å; Q102-D105 WeakPolarHBondContact O-CB 3.27Å; Q102-D105 PolarHBondContact O-N 3.17Å; E103-D105 PolarHBondContact O-N 2.93Å; E103-D105 VanDerWaalsContact O-N 3.1Å; D105-A107 PolarHBondContact O-N 2.94Å; D105-Y109 WeakPolarHBondContact O-CE2 3.33Å; D105-Y109 PolarHBondContact O-OH 3.1Å
106	S	97.7	Very high	97.4	Very high	77 Å²	77	55.1 Å²	55.1	54%	0.538	33%	0.334	S	S	.	.			trans	-66.1	101.3	178.6	-60.1	0	0	0	0	111.1	P61 E103 S104	P61-S106 WeakPolarHBondContact CD-O 3.49Å; E103-S106 VanDerWaalsContact O-CB 3.23Å; E103-S106 WeakPolarHBondContact O-CB 3.41Å; E103-S106 PolarHBondContact O-N 2.84Å; E103-S106 PolarHBondContact O-OG 2.92Å; S104-S106 VanDerWaalsContact C-N 3.27Å
107	A	98	Very high	97.4	Very high	29 Å²	29	58.1 Å²	58.1	24%	0.24	35%	0.353	C	S	.	.	S	Bend	trans	-157.7	172.9	-176.6	0	0	0	0	0	111.5	V58 R59 Y60 D105 Y109	V58-A107 HydrophobicContact CG2-CB 3.55Å; R59-A107 WeakPolarHBondContact O-CB 3.17Å; Y60-A107 HydrophobicContact CD1-CB 3.69Å; Y60-A107 HydrophobicContact CE1-CB 3.92Å; Y60-A107 HydrophobicContact CG-CB 4.23Å; D105-A107 PolarHBondContact O-N 2.94Å; A107-Y109 HydrophobicContact CB-CD2 4.47Å; A107-Y109 HydrophobicContact CB-CE2 3.82Å; A107-Y109 WeakPolarHBondContact O-CD2 3.21Å
108	V	98.1	Very high	97.3	Very high	74 Å²	74	56.6 Å²	56.6	45%	0.448	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.8	168.4	-170.5	0	0	0	0	109.3	V58 R59 Y110	V58-V108 CarbonylContact C-O 3.5Å; V58-V108 WeakPolarHBondContact CA-O 3.3Å; R59-V108 PolarHBondContact N-O 3.35Å; R59-V108 PolarHBondContact O-N 2.86Å; V108-Y110 HydrophobicContact CB-CE2 4Å; V108-Y110 HydrophobicContact CG1-CD2 4.26Å; V108-Y110 HydrophobicContact CG1-CE1 4.04Å; V108-Y110 HydrophobicContact CG1-CE2 3.53Å; V108-Y110 VanDerWaalsContact CG1-CZ 3.4Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.42Å
109	Y	98.5	Very high	97.2	Very high	17 Å²	17	59.1 Å²	59.1	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.8	-179.9	-65	-96.2	0	0	0	110.4	Q25 I40 Y57 V58 L68 F83 L96 D105 A107	Q25-Y109 PolarHBondContact NE2-O 3.02Å; I40-Y109 HydrophobicContact CD1-CD2 4.01Å; I40-Y109 HydrophobicContact CD1-CG 4.05Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; V58-Y109 HydrophobicContact CB-CD1 4.07Å; V58-Y109 HydrophobicContact CB-CE1 3.97Å; V58-Y109 HydrophobicContact CG2-CD1 3.98Å; V58-Y109 HydrophobicContact CG2-CE1 3.57Å; V58-Y109 HydrophobicContact CG2-CE2 4.41Å; L68-Y109 HydrophobicContact CD2-CD1 3.96Å; L68-Y109 HydrophobicContact CD2-CE1 3.8Å; F83-Y109 HydrophobicContact CE1-CE1 4.04Å; F83-Y109 HydrophobicContact CE2-CE1 4.15Å; F83-Y109 WeakPolarHBondContact CE2-OH 3.37Å; F83-Y109 AromaticContact CZ-CE1 3.84Å; F83-Y109 HydrophobicContact CZ-CE1 3.84Å; F83-Y109 AromaticContact CZ-CZ 3.61Å; F83-Y109 WeakPolarHBondContact CZ-OH 3.47Å; L96-Y109 HydrophobicContact CD2-CD1 3.5Å; L96-Y109 HydrophobicContact CD2-CE1 4.03Å; L96-Y109 HydrophobicContact CD2-CG 4.14Å; D105-Y109 WeakPolarHBondContact O-CE2 3.33Å; D105-Y109 PolarHBondContact O-OH 3.1Å; A107-Y109 HydrophobicContact CB-CD2 4.47Å; A107-Y109 HydrophobicContact CB-CE2 3.82Å; A107-Y109 WeakPolarHBondContact O-CD2 3.21Å
110	Y	98.3	Very high	97.2	Very high	96 Å²	96	57.3 Å²	57.3	38%	0.376	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122	-179	-60.6	-85.1	0	0	0	110.2	W56 Y57 R59 L65 V108	W56-Y110 WeakPolarHBondContact CA-O 3.15Å; Y57-Y110 PolarHBondContact N-O 2.92Å; Y57-Y110 PolarHBondContact O-N 2.84Å; R59-Y110 HydrophobicContact CB-CE2 4.3Å; L65-Y110 HydrophobicContact CD1-CD2 3.62Å; L65-Y110 HydrophobicContact CD1-CE2 3.93Å; V108-Y110 HydrophobicContact CB-CE2 4Å; V108-Y110 HydrophobicContact CG1-CD2 4.26Å; V108-Y110 HydrophobicContact CG1-CE1 4.04Å; V108-Y110 HydrophobicContact CG1-CE2 3.53Å; V108-Y110 VanDerWaalsContact CG1-CZ 3.4Å; V108-Y110 WeakPolarHBondContact CG1-OH 3.42Å
111	C	98.4	Very high	97.1	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.054	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.1	167.1	-165.4	0	0	0	0	109.2	V23 C42 W56	V23-C111 HydrophobicContact CG2-CB 4.5Å; V23-C111 WeakPolarHBondContact CG2-O 3.44Å; C42-C111 HydrophobicContact CB-CB 3.59Å; C42-C111 WeakPolarHBondContact CB-SG 3.47Å; C42-C111 WeakPolarHBondContact SG-CB 3.03Å; C42-C111 CovalentContact SG-SG 2.02Å; C42-C111 PolarHBondContact SG-SG 2.83Å; W56-C111 HydrophobicContact CD2-CB 4.23Å; W56-C111 HydrophobicContact CE3-CB 4.15Å; W56-C111 HydrophobicContact CH2-CB 3.69Å; W56-C111 HydrophobicContact CZ2-CB 3.77Å; W56-C111 HydrophobicContact CZ3-CB 3.88Å
112	A	97.4	Very high	97	Very high	28 Å²	28	60.9 Å²	60.9	23%	0.231	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.7	174	0	0	0	0	0	110.9	F55 Y57	F55-A112 HydrophobicContact CB-CB 4.35Å; F55-A112 PolarHBondContact N-O 3.1Å; F55-A112 PolarHBondContact O-N 3.48Å; Y57-A112 HydrophobicContact CD2-CB 4.35Å; Y57-A112 HydrophobicContact CE2-CB 4.16Å
113	L	94.8	Very high	96.9	Very high	35 Å²	35	56.6 Å²	56.6	18%	0.183	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.9	165.9	80.9	144.9	0	0	0	110.2	D21 S22 V23 A46 P52 N53 L54	D21-L113 HydrophobicContact CB-CD1 3.6Å; D21-L113 HydrophobicContact CB-CD2 4.26Å; D21-L113 HydrophobicContact CB-CG 4.27Å; S22-L113 VanDerWaalsContact C-CD2 3.44Å; S22-L113 WeakPolarHBondContact O-CD2 3.26Å; V23-L113 HydrophobicContact CG1-CB 4.36Å; V23-L113 HydrophobicContact CG1-CD2 3.59Å; A46-L113 HydrophobicContact CB-CD1 3.98Å; P52-L113 HydrophobicContact CB-CB 4.14Å; P52-L113 HydrophobicContact CB-CD1 3.82Å; P52-L113 HydrophobicContact CG-CD1 4.05Å; N53-L113 CarbonylContact O-C 3.52Å; N53-L113 WeakPolarHBondContact O-CA 3.41Å; L54-L113 HydrophobicContact CD2-CB 3.7Å
114	G	90.1	Very high	96.9	Very high	66 Å²	66	48.1 Å²	48.1	68%	0.68	32%	0.317	S	S	*	.			trans	-169.7	0	172.2	0	0	0	0	0	113.3	N53	N53-G114 PolarHBondContact N-O 3.46Å; N53-G114 PolarHBondContact O-N 3.36Å

Retrieved 114 of 114 residues in 71.8 ms (Link to these results)

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