A0A075B634_MOUSE Loading...

T cell receptor alpha variable 16n

AlphaFold DB , UniProt , Accession A0A075B634, Species MOUSE (Mus musculus, Mouse), Gene Trav16n, Length 117 aa.

						>A0A075B634_MOUSE|A0A075B634|Trav16n
MLILSLLGAAFGSICFAATSMAQKVTQTQTSISVVEKTTVTMDCVYETRDSSYFLFWYKQTASGEIVFLIRQDSYKKENATVGHYSLNFQKPKSSIGLIITATQIEDSAVYFCAMRE
					

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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	36.6	Very low	42.5	Very low	222 Å²	222	139.6 Å²	139.6	100%	1.094	81%	0.808	S	S	*	*				0	102.6	0	-71.1	169.4	66.7	0	0	107.5
2	L	32.3	Very low	43.5	Very low	160 Å²	160	133 Å²	133	84%	0.838	79%	0.792	S	S	*	*			trans	-96.2	102.7	174	-131.1	85.6	0	0	0	107.2	L4	L2-L4 HydrophobicContact CD2-CD1 4.22Å; L2-L4 PolarHBondContact O-N 3.19Å
3	I	36.4	Very low	44.9	Very low	137 Å²	137	131.2 Å²	131.2	70%	0.703	79%	0.79	S	S	*	*			trans	-83.8	99.8	174.1	-60.6	169.7	0	0	0	105.9	S5	I3-S5 PolarHBondContact O-N 3.01Å
4	L	36.4	Very low	46	Very low	153 Å²	153	130.9 Å²	130.9	80%	0.801	78%	0.78	S	S	*	*			trans	-85	85.4	169.6	-83.4	133.3	0	0	0	108.2	L2	L2-L4 HydrophobicContact CD2-CD1 4.22Å; L2-L4 PolarHBondContact O-N 3.19Å
5	S	35	Very low	47.1	Very low	90 Å²	90	129.4 Å²	129.4	63%	0.629	78%	0.777	S	S	*	*			trans	-86.4	105.3	166.3	52.2	0	0	0	0	108.7	I3	I3-S5 PolarHBondContact O-N 3.01Å
6	L	42.9	Very low	48	Very low	168 Å²	168	132.3 Å²	132.3	88%	0.88	78%	0.776	S	S	*	*			trans	-117.1	107.7	160.2	-121.7	85.3	0	0	0	109.1
7	L	44.3	Very low	49	Very low	165 Å²	165	129.8 Å²	129.8	86%	0.864	78%	0.775	S	S	*	*			trans	-46.9	132.7	160.7	-98.9	61	0	0	0	110.6
8	G	44.6	Very low	49.9	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	77%	0.772	S	S	*	*			trans	63	76.6	135.9	0	0	0	0	0	118
9	A	53.6	Low	50.6	Low	64 Å²	64	127.4 Å²	127.4	53%	0.529	77%	0.772	S	S	.	*			trans	-154.4	101.7	138.5	0	0	0	0	0	107.5	F11	A9-F11 HydrophobicContact CB-CD2 3.71Å; A9-F11 HydrophobicContact CB-CE2 3.34Å; A9-F11 HydrophobicContact CB-CZ 3.91Å; A9-F11 WeakPolarHBondContact O-CD2 3.18Å; A9-F11 PolarHBondContact O-N 3Å
10	A	49.2	Very low	51.5	Low	110 Å²	110	126.6 Å²	126.6	91%	0.909	77%	0.772	S	S	*	*			trans	-65.6	85.3	165.6	0	0	0	0	0	107.2	G12	A10-G12 PolarHBondContact O-N 3.06Å
11	F	55.6	Low	52.3	Low	188 Å²	188	128.5 Å²	128.5	83%	0.825	78%	0.775	S	S	*	*			trans	-70.6	80.4	165.3	-70.9	-78.5	0	0	0	106.3	A9 S13	A9-F11 HydrophobicContact CB-CD2 3.71Å; A9-F11 HydrophobicContact CB-CE2 3.34Å; A9-F11 HydrophobicContact CB-CZ 3.91Å; A9-F11 WeakPolarHBondContact O-CD2 3.18Å; A9-F11 PolarHBondContact O-N 3Å; F11-S13 VanDerWaalsContact C-N 3.35Å; F11-S13 PolarHBondContact O-N 3.25Å
12	G	54.9	Low	54.3	Low	60 Å²	60	122.1 Å²	122.1	62%	0.619	76%	0.757	S	S	*	*			trans	-53.8	108.4	161.9	0	0	0	0	0	106	A10 I14	A10-G12 PolarHBondContact O-N 3.06Å; G12-I14 PolarHBondContact O-N 3.05Å
13	S	61.8	Low	57	Low	109 Å²	109	119.5 Å²	119.5	76%	0.762	74%	0.74	S	S	*	*			trans	-65.2	92	174.3	-162.3	0	0	0	0	106	F11 C15	F11-S13 VanDerWaalsContact C-N 3.35Å; F11-S13 PolarHBondContact O-N 3.25Å; S13-C15 PolarHBondContact O-N 3.2Å
14	I	59.7	Low	59.7	Low	128 Å²	128	117.9 Å²	117.9	66%	0.656	73%	0.728	S	S	*	*			trans	-69.6	87.6	172.1	-61.6	172.3	0	0	0	104.4	G12 F16	G12-I14 PolarHBondContact O-N 3.05Å; I14-F16 HydrophobicContact CB-CD2 4.45Å; I14-F16 HydrophobicContact CB-CE2 4.26Å; I14-F16 HydrophobicContact CG2-CD2 3.72Å; I14-F16 HydrophobicContact CG2-CE2 3.56Å; I14-F16 HydrophobicContact CG2-CG 4.29Å; I14-F16 HydrophobicContact CG2-CZ 4Å; I14-F16 PolarHBondContact O-N 3.42Å
15	C	63	Low	62.6	Low	108 Å²	108	112.9 Å²	112.9	73%	0.73	70%	0.704	S	S	*	*			trans	-63.5	90	162.8	-73.7	0	0	0	0	106	S13 A17	S13-C15 PolarHBondContact O-N 3.2Å; C15-A17 PolarHBondContact O-N 3.06Å
16	F	60.9	Low	65.6	Low	176 Å²	176	111.6 Å²	111.6	77%	0.772	69%	0.692	S	S	*	*			trans	-56.5	101.3	157.9	-76.7	-86.7	0	0	0	105.1	I14 A18	I14-F16 HydrophobicContact CB-CD2 4.45Å; I14-F16 HydrophobicContact CB-CE2 4.26Å; I14-F16 HydrophobicContact CG2-CD2 3.72Å; I14-F16 HydrophobicContact CG2-CE2 3.56Å; I14-F16 HydrophobicContact CG2-CG 4.29Å; I14-F16 HydrophobicContact CG2-CZ 4Å; I14-F16 PolarHBondContact O-N 3.42Å; F16-A18 PolarHBondContact O-N 3.43Å
17	A	65.9	Low	68.2	Low	90 Å²	90	107 Å²	107	74%	0.744	67%	0.667	S	S	*	*			trans	-63.3	84.4	166.8	0	0	0	0	0	105.7	C15 T19	C15-A17 PolarHBondContact O-N 3.06Å; A17-T19 VanDerWaalsContact C-N 3.32Å; A17-T19 PolarHBondContact O-N 3.25Å
18	A	65	Low	70.4	Confident	89 Å²	89	104.4 Å²	104.4	74%	0.736	66%	0.658	S	S	*	*			trans	-61	103.7	172.1	0	0	0	0	0	105.1	F16 S20	F16-A18 PolarHBondContact O-N 3.43Å; A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.62Å
19	T	63.9	Low	72.6	Confident	125 Å²	125	104 Å²	104	77%	0.767	64%	0.635	S	S	*	*			trans	-63.7	99.4	171.4	50.7	0	0	0	0	106	A17 M21	A17-T19 VanDerWaalsContact C-N 3.32Å; A17-T19 PolarHBondContact O-N 3.25Å; T19-M21 PolarHBondContact O-N 2.77Å
20	S	67.3	Low	74.1	Confident	110 Å²	110	107.9 Å²	107.9	77%	0.769	65%	0.652	S	S	*	*			trans	-66.9	119.4	169.8	52.7	0	0	0	0	107.2	A18 A22	A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.62Å; S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 VanDerWaalsContact O-N 3.1Å
21	M	69	Low	76.2	Confident	168 Å²	168	107.7 Å²	107.7	83%	0.828	64%	0.644	S	S	*	*			trans	-78.4	93.9	169	-64	-169.2	-60.5	0	0	106.5	T19	T19-M21 PolarHBondContact O-N 2.77Å
22	A	78.7	Confident	78.1	Confident	87 Å²	87	102.1 Å²	102.1	72%	0.719	62%	0.622	S	S	*	*			trans	-70.9	132.7	171.5	0	0	0	0	0	109	S20	S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 VanDerWaalsContact O-N 3.1Å
23	Q	87.8	Confident	80.1	Confident	105 Å²	105	104.9 Å²	104.9	49%	0.491	63%	0.632	S	S	.	*			trans	-67	137.3	172	-70.2	146.8	-19.6	0	0	109.2	M115	Q23-M115 HydrophobicContact CB-CE 4.18Å; Q23-M115 HydrophobicContact CG-CE 4.09Å; Q23-M115 PolarHBondContact OE1-O 3.24Å
24	K	93.8	Very high	81.7	Confident	104 Å²	104	103.1 Å²	103.1	45%	0.452	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	121.2	-177.8	-173.2	173.4	172.3	-155.4	0	110.9	Y46 E47	K24-Y46 WeakPolarHBondContact O-CA 3.39Å; K24-E47 HydrophobicContact CB-CB 4.34Å; K24-E47 WeakPolarHBondContact CD-OE1 3.3Å; K24-E47 WeakPolarHBondContact CE-OE1 3.17Å; K24-E47 IonicContact NZ-OE1 2.68Å; K24-E47 PolarHBondContact NZ-OE1 3.04Å; K24-E47 IonicContact NZ-OE2 3.48Å; K24-E47 PolarHBondContact NZ-OE2 3.23Å; K24-E47 PolarHBondContact O-N 3.28Å
25	V	97	Very high	83.4	Confident	48 Å²	48	102.3 Å²	102.3	29%	0.291	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.3	148.6	168.9	-61.9	0	0	0	0	108.7	V45 M115	V25-V45 CarbonylContact C-O 3.56Å; V25-V45 VanDerWaalsContact CA-O 3.25Å; V25-V45 WeakPolarHBondContact CA-O 3.35Å; V25-M115 HydrophobicContact CG1-CB 4.03Å
26	T	97.9	Very high	85	Confident	63 Å²	63	101.8 Å²	101.8	39%	0.387	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.5	122.7	-179.5	-55.7	0	0	0	0	109.6	T28 C44 V45	T26-T28 HydrophobicContact CG2-CG2 4.23Å; T26-C44 WeakPolarHBondContact O-CA 3.39Å; T26-V45 PolarHBondContact N-O 2.65Å; T26-V45 PolarHBondContact O-N 3.01Å
27	Q	97.6	Very high	86.7	Confident	72 Å²	72	102.1 Å²	102.1	34%	0.336	61%	0.605	S	S	.	*			trans	-112.3	118.3	170.7	-69.4	172	-120.5	0	0	107.8	C44 W57 Y111 C113	Q27-C44 HydrophobicContact CG-CB 4.34Å; Q27-W57 HydrophobicContact CG-CH2 4.44Å; Q27-Y111 PolarHBondContact NE2-O 2.79Å; Q27-C113 HydrophobicContact CG-CB 4.22Å
28	T	90.4	Very high	88.3	Confident	110 Å²	110	100.5 Å²	100.5	68%	0.675	59%	0.586	S	S	*	*			trans	-93.2	-18.2	-176.7	52.8	0	0	0	0	113.1	T26 T30	T26-T28 HydrophobicContact CG2-CG2 4.23Å; T28-T30 PolarHBondContact O-N 2.91Å
29	Q	90.7	Very high	89.9	Confident	71 Å²	71	100.3 Å²	100.3	33%	0.332	58%	0.575	S	S	.	*			trans	-83.4	106.1	-178.4	-56	-167.4	60.4	0	0	109.7	I32 T41 D43	Q29-I32 HydrophobicContact CB-CD1 4.18Å; Q29-I32 HydrophobicContact CB-CG1 4.25Å; Q29-T41 PolarHBondContact NE2-O 3.08Å; Q29-T41 VanDerWaalsContact NE2-O 3.1Å; Q29-D43 PolarHBondContact NE2-OD2 3.18Å
30	T	86.4	Confident	91.5	Very high	145 Å²	145	95.2 Å²	95.2	89%	0.89	54%	0.544	S	S	*	.			trans	-74.9	-37.6	-177.5	-47.1	0	0	0	0	112.9	T28	T28-T30 PolarHBondContact O-N 2.91Å
31	S	93.6	Very high	92.9	Very high	106 Å²	106	92.6 Å²	92.6	74%	0.741	52%	0.524	S	S	*	.			trans	-155.6	138.6	-179.4	59.9	0	0	0	0	109.8
32	I	94.8	Very high	94.3	Very high	70 Å²	70	85.5 Å²	85.5	36%	0.359	49%	0.489	S	S	.	.			trans	-130.8	129.1	175.8	-47.4	171.4	0	0	0	107.5	Q29 V34 V40 M42	Q29-I32 HydrophobicContact CB-CD1 4.18Å; Q29-I32 HydrophobicContact CB-CG1 4.25Å; I32-V34 HydrophobicContact CG2-CG1 3.95Å; I32-V40 HydrophobicContact CB-CG2 4.44Å; I32-V40 HydrophobicContact CD1-CG2 4.11Å; I32-V40 HydrophobicContact CG2-CG2 3.69Å; I32-M42 HydrophobicContact CD1-CG 3.51Å
33	S	96.1	Very high	95.2	Very high	119 Å²	119	84.5 Å²	84.5	83%	0.832	47%	0.471	S	S	*	.			trans	-114.6	126.5	173	-61.2	0	0	0	0	108.8
34	V	95.2	Very high	95.7	Very high	71 Å²	71	79.5 Å²	79.5	43%	0.43	45%	0.448	S	S	.	.			trans	-133	157.7	179.6	-62.4	0	0	0	0	110.6	I32 V40 T103	I32-V34 HydrophobicContact CG2-CG1 3.95Å; V34-V40 HydrophobicContact CG1-CB 3.92Å; V34-V40 HydrophobicContact CG1-CG2 3.81Å; V34-V40 HydrophobicContact CG2-CB 4.34Å; V34-T103 HydrophobicContact CG2-CG2 4.18Å
35	V	96.2	Very high	96	Very high	112 Å²	112	77.9 Å²	77.9	68%	0.679	45%	0.447	S	S	*	.			trans	-82.2	148	172.4	-178.6	0	0	0	0	108.7	T38 T103	V35-T38 HydrophobicContact CB-CG2 4.14Å; V35-T38 WeakPolarHBondContact O-CB 3.35Å; V35-T38 WeakPolarHBondContact O-CG2 3.4Å; V35-T38 PolarHBondContact O-N 3.34Å; V35-T38 PolarHBondContact O-OG1 3.22Å; V35-T103 PolarHBondContact O-OG1 2.99Å; V35-T103 VanDerWaalsContact O-OG1 3.06Å
36	E	96.6	Very high	96	Very high	97 Å²	97	75.7 Å²	75.7	45%	0.453	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	154.1	172.9	-67.1	-174.9	93	0	0	112	T38 T103 I105	E36-T38 PolarHBondContact O-N 3.07Å; E36-T103 CarbonylContact C-O 3.53Å; E36-T103 WeakPolarHBondContact CA-O 3.33Å; E36-I105 HydrophobicContact CG-CG1 4.19Å
37	K	97.6	Very high	95.9	Very high	183 Å²	183	77.8 Å²	77.8	80%	0.796	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	10.8	-179.5	-49.4	176	-177.2	175.3	0	114	T103	K37-T103 PolarHBondContact N-O 2.76Å; K37-T103 PolarHBondContact N-OG1 2.93Å
38	T	98.2	Very high	95.8	Very high	55 Å²	55	75.8 Å²	75.8	34%	0.337	43%	0.431	S	S	.	.	S	Bend	trans	-94.9	179	173.1	67.7	0	0	0	0	110.9	V35 E36 A102 T103	V35-T38 HydrophobicContact CB-CG2 4.14Å; V35-T38 WeakPolarHBondContact O-CB 3.35Å; V35-T38 WeakPolarHBondContact O-CG2 3.4Å; V35-T38 PolarHBondContact O-N 3.34Å; V35-T38 PolarHBondContact O-OG1 3.22Å; E36-T38 PolarHBondContact O-N 3.07Å; T38-A102 PolarHBondContact O-N 3.26Å; T38-T103 PolarHBondContact N-OG1 3.16Å; T38-T103 WeakPolarHBondContact O-CG2 3.25Å; T38-T103 PolarHBondContact O-N 2.88Å; T38-T103 PolarHBondContact O-OG1 3.2Å
39	T	98.4	Very high	95.8	Very high	85 Å²	85	82.5 Å²	82.5	52%	0.521	44%	0.444	S	S	.	.			trans	-111.4	135.4	173.3	-60.7	0	0	0	0	108.9	I99 I100 T101	T39-I99 HydrophobicContact CG2-CG2 3.6Å; T39-I100 VanDerWaalsContact CA-O 3.31Å; T39-I100 WeakPolarHBondContact CA-O 3.27Å; T39-T101 HydrophobicContact CG2-CG2 4.15Å
40	V	97.8	Very high	95.9	Very high	18 Å²	18	82.8 Å²	82.8	11%	0.109	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.7	175.8	65	0	0	0	0	110.3	I32 V34 I99 I100 T103	I32-V40 HydrophobicContact CB-CG2 4.44Å; I32-V40 HydrophobicContact CD1-CG2 4.11Å; I32-V40 HydrophobicContact CG2-CG2 3.69Å; V34-V40 HydrophobicContact CG1-CB 3.92Å; V34-V40 HydrophobicContact CG1-CG2 3.81Å; V34-V40 HydrophobicContact CG2-CB 4.34Å; V40-I99 WeakPolarHBondContact O-CA 3.3Å; V40-I100 HydrophobicContact CG1-CB 3.83Å; V40-I100 HydrophobicContact CG1-CD1 4.16Å; V40-I100 HydrophobicContact CG1-CG1 4.08Å; V40-I100 PolarHBondContact N-O 3.12Å; V40-I100 PolarHBondContact O-N 3.18Å; V40-T103 HydrophobicContact CB-CG2 4.48Å; V40-T103 HydrophobicContact CG1-CG2 3.77Å
41	T	98	Very high	96.2	Very high	55 Å²	55	80.8 Å²	80.8	34%	0.337	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.7	176.1	-55.4	0	0	0	0	110.1	Q29 L98 I99	Q29-T41 PolarHBondContact NE2-O 3.08Å; Q29-T41 VanDerWaalsContact NE2-O 3.1Å; T41-L98 CarbonylContact C-O 3.55Å; T41-L98 VanDerWaalsContact CA-O 3.3Å; T41-L98 WeakPolarHBondContact CA-O 3.3Å; T41-I99 HydrophobicContact CG2-CG1 4.15Å
42	M	98	Very high	96.3	Very high	20 Å²	20	78.4 Å²	78.4	10%	0.099	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.3	171.9	-70.8	168.6	-77	0	0	109.7	I32 W57 G97 L98 I100 Y111	I32-M42 HydrophobicContact CD1-CG 3.51Å; M42-W57 HydrophobicContact CB-CH2 3.65Å; M42-W57 HydrophobicContact CB-CZ2 4.37Å; M42-W57 HydrophobicContact CB-CZ3 4.06Å; M42-W57 WeakPolarHBondContact O-CZ2 3.43Å; M42-G97 CarbonylContact O-C 3.57Å; M42-G97 WeakPolarHBondContact O-CA 3.34Å; M42-L98 HydrophobicContact CE-CB 4.36Å; M42-L98 HydrophobicContact CE-CD2 3.53Å; M42-L98 HydrophobicContact CE-CG 3.99Å; M42-L98 PolarHBondContact N-O 2.76Å; M42-L98 PolarHBondContact O-N 3.15Å; M42-I100 HydrophobicContact CE-CD1 3.54Å; M42-I100 HydrophobicContact CE-CG1 4.03Å; M42-Y111 HydrophobicContact CE-CD1 3.71Å; M42-Y111 HydrophobicContact CE-CD2 3.88Å; M42-Y111 HydrophobicContact CE-CE1 4.03Å; M42-Y111 HydrophobicContact CE-CE2 4.21Å; M42-Y111 HydrophobicContact CE-CG 3.63Å; M42-Y111 WeakPolarHBondContact SD-CB 3.26Å; M42-Y111 HydrophobicContact SD-CD1 4.21Å; M42-Y111 HydrophobicContact SD-CD2 3.59Å; M42-Y111 VanDerWaalsContact SD-CD2 3.59Å; M42-Y111 HydrophobicContact SD-CE2 4.37Å; M42-Y111 HydrophobicContact SD-CG 3.5Å; M42-Y111 VanDerWaalsContact SD-CG 3.5Å
43	D	97.8	Very high	96.4	Very high	66 Å²	66	75.5 Å²	75.5	35%	0.353	41%	0.408	S	S	.	.			trans	-95.4	143.1	-175.6	-58.1	-59	0	0	0	112.2	Q29	Q29-D43 PolarHBondContact NE2-OD2 3.18Å
44	C	98.5	Very high	96.5	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.377	C	S	.	.			trans	-138.1	130.4	172.4	173.5	0	0	0	0	109.7	T26 Q27 W57 S95 I96 C113	T26-C44 WeakPolarHBondContact O-CA 3.39Å; Q27-C44 HydrophobicContact CG-CB 4.34Å; C44-W57 HydrophobicContact CB-CH2 4.14Å; C44-W57 HydrophobicContact CB-CZ2 3.54Å; C44-S95 CarbonylContact O-C 3.5Å; C44-S95 WeakPolarHBondContact O-CA 3.41Å; C44-S95 PolarHBondContact O-OG 3.32Å; C44-I96 HydrophobicContact CB-CG2 3.89Å; C44-I96 WeakPolarHBondContact CB-O 3.49Å; C44-I96 PolarHBondContact O-N 3.14Å; C44-C113 HydrophobicContact CB-CB 3.42Å; C44-C113 VanDerWaalsContact CB-CB 3.42Å; C44-C113 WeakPolarHBondContact CB-SG 3.25Å; C44-C113 WeakPolarHBondContact SG-CB 3.19Å; C44-C113 CovalentContact SG-SG 2.03Å; C44-C113 PolarHBondContact SG-SG 2.93Å
45	V	98.5	Very high	96.6	Very high	70 Å²	70	68.4 Å²	68.4	42%	0.424	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.9	170.4	178.9	0	0	0	0	108.5	V25 T26 S94	V25-V45 CarbonylContact C-O 3.56Å; V25-V45 VanDerWaalsContact CA-O 3.25Å; V25-V45 WeakPolarHBondContact CA-O 3.35Å; T26-V45 PolarHBondContact N-O 2.65Å; T26-V45 PolarHBondContact O-N 3.01Å; V45-S94 CarbonylContact C-O 3.57Å; V45-S94 VanDerWaalsContact CA-O 3.31Å; V45-S94 WeakPolarHBondContact CA-O 3.35Å; V45-S94 WeakPolarHBondContact CG1-O 3Å
46	Y	97.4	Very high	96.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	156.9	179.5	61.9	-90.6	0	0	0	111.3	K24 T48 Y53 L55 F89 S94 I96 M115	K24-Y46 WeakPolarHBondContact O-CA 3.39Å; Y46-T48 HydrophobicContact CD2-CG2 3.78Å; Y46-T48 HydrophobicContact CE2-CG2 3.72Å; Y46-Y53 HydrophobicContact CD2-CE2 4.31Å; Y46-Y53 HydrophobicContact CE2-CD2 4.4Å; Y46-Y53 AromaticContact CE2-CE2 3.49Å; Y46-Y53 HydrophobicContact CE2-CE2 3.49Å; Y46-Y53 VanDerWaalsContact CE2-CE2 3.49Å; Y46-Y53 AromaticContact CE2-CZ 3.54Å; Y46-Y53 WeakPolarHBondContact CE2-OH 3.33Å; Y46-Y53 AromaticContact CZ-CE2 3.7Å; Y46-Y53 AromaticContact CZ-CZ 3.91Å; Y46-Y53 PolarHBondContact OH-OH 2.96Å; Y46-L55 HydrophobicContact CD1-CD1 3.9Å; Y46-L55 HydrophobicContact CD1-CD2 3.61Å; Y46-L55 HydrophobicContact CD1-CG 4.42Å; Y46-L55 HydrophobicContact CD2-CD2 4.18Å; Y46-L55 HydrophobicContact CE1-CD1 3.44Å; Y46-L55 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L55 HydrophobicContact CE1-CD2 4.01Å; Y46-L55 HydrophobicContact CE1-CG 4.36Å; Y46-L55 HydrophobicContact CG-CD2 3.72Å; Y46-F89 HydrophobicContact CE1-CE2 4.41Å; Y46-F89 WeakPolarHBondContact OH-CE2 3.49Å; Y46-S94 VanDerWaalsContact CD1-C 3.46Å; Y46-S94 WeakPolarHBondContact CD1-O 2.93Å; Y46-S94 WeakPolarHBondContact CE1-O 3.35Å; Y46-S94 VanDerWaalsContact CZ-CA 3.43Å; Y46-S94 PolarHBondContact N-O 2.98Å; Y46-S94 WeakPolarHBondContact O-CB 3.42Å; Y46-I96 HydrophobicContact CD1-CG2 4.05Å; Y46-I96 HydrophobicContact CE1-CB 4.48Å; Y46-I96 HydrophobicContact CE1-CG2 4.41Å; Y46-M115 HydrophobicContact CD2-SD 3.7Å; Y46-M115 HydrophobicContact CG-SD 4.14Å
47	E	96.4	Very high	96.9	Very high	106 Å²	106	59.5 Å²	59.5	50%	0.495	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.4	175.6	-68.5	176.6	-147.6	0	0	109.6	K24 M115	K24-E47 HydrophobicContact CB-CB 4.34Å; K24-E47 WeakPolarHBondContact CD-OE1 3.3Å; K24-E47 WeakPolarHBondContact CE-OE1 3.17Å; K24-E47 IonicContact NZ-OE1 2.68Å; K24-E47 PolarHBondContact NZ-OE1 3.04Å; K24-E47 IonicContact NZ-OE2 3.48Å; K24-E47 PolarHBondContact NZ-OE2 3.23Å; K24-E47 PolarHBondContact O-N 3.28Å; E47-M115 WeakPolarHBondContact O-CE 3.4Å
48	T	94.4	Very high	96.9	Very high	31 Å²	31	54 Å²	54	19%	0.19	28%	0.282	C	S	.	.			trans	-149.7	150	174.9	-178.9	0	0	0	0	110.1	Y46 D50 Y53 M115 E117	Y46-T48 HydrophobicContact CD2-CG2 3.78Å; Y46-T48 HydrophobicContact CE2-CG2 3.72Å; T48-D50 PolarHBondContact OG1-N 2.79Å; T48-Y53 HydrophobicContact CG2-CD1 3.65Å; T48-Y53 HydrophobicContact CG2-CD2 4.46Å; T48-Y53 HydrophobicContact CG2-CE1 3.45Å; T48-Y53 VanDerWaalsContact CG2-CE1 3.45Å; T48-Y53 HydrophobicContact CG2-CE2 4.31Å; T48-Y53 HydrophobicContact CG2-CG 4.16Å; T48-M115 HydrophobicContact CG2-SD 3.95Å; T48-E117 VanDerWaalsContact CB-OE1 3.22Å; T48-E117 WeakPolarHBondContact CB-OE1 3.41Å; T48-E117 PolarHBondContact OG1-OE1 2.8Å
49	R	91.4	Very high	96.9	Very high	250 Å²	250	52.9 Å²	52.9	94%	0.943	27%	0.273	S	S	*	.			trans	-104.3	-8.1	168.1	-66.1	-177.5	178.2	169.5	0.4	112.2
50	D	92.7	Very high	96.9	Very high	78 Å²	78	52 Å²	52	42%	0.417	26%	0.262	S	S	.	.			trans	-73.7	145	-177.9	-72.9	-30.7	0	0	0	111.1	T48 Y53 E117	T48-D50 PolarHBondContact OG1-N 2.79Å; D50-Y53 VanDerWaalsContact O-CD1 3.25Å; D50-Y53 WeakPolarHBondContact O-CD1 3.35Å; D50-Y53 WeakPolarHBondContact O-CE1 3.26Å; D50-E117 HydrophobicContact CB-CG 4.17Å; D50-E117 VanDerWaalsContact OD2-CB 3.3Å; D50-E117 WeakPolarHBondContact OD2-CB 3.17Å; D50-E117 VanDerWaalsContact OD2-CG 3.26Å; D50-E117 WeakPolarHBondContact OD2-CG 3.43Å
51	S	91.8	Very high	96.8	Very high	103 Å²	103	52.9 Å²	52.9	72%	0.72	27%	0.268	S	S	*	.	S	Bend	trans	-79.1	-27.7	-179.8	60.1	0	0	0	0	112.2	S74 K91	S51-S74 PolarHBondContact O-OG 2.88Å; S51-K91 PolarHBondContact O-NZ 3.35Å
52	S	95.8	Very high	96.7	Very high	56 Å²	56	55.6 Å²	55.6	39%	0.392	30%	0.296	S	S	.	.	S	Bend	trans	-121.2	124.3	-178.9	-178.3	0	0	0	0	109.4	S74	S52-S74 VanDerWaalsContact CA-OG 3.31Å; S52-S74 WeakPolarHBondContact CA-OG 3.5Å
53	Y	96.8	Very high	96.6	Very high	8 Å²	8	59.3 Å²	59.3	3%	0.031	32%	0.324	C	S	.	.			trans	-161.8	169.9	178.4	51	-93.2	0	0	0	109.2	Y46 T48 D50 L55 S74 M115 R116	Y46-Y53 HydrophobicContact CD2-CE2 4.31Å; Y46-Y53 HydrophobicContact CE2-CD2 4.4Å; Y46-Y53 AromaticContact CE2-CE2 3.49Å; Y46-Y53 HydrophobicContact CE2-CE2 3.49Å; Y46-Y53 VanDerWaalsContact CE2-CE2 3.49Å; Y46-Y53 AromaticContact CE2-CZ 3.54Å; Y46-Y53 WeakPolarHBondContact CE2-OH 3.33Å; Y46-Y53 AromaticContact CZ-CE2 3.7Å; Y46-Y53 AromaticContact CZ-CZ 3.91Å; Y46-Y53 PolarHBondContact OH-OH 2.96Å; T48-Y53 HydrophobicContact CG2-CD1 3.65Å; T48-Y53 HydrophobicContact CG2-CD2 4.46Å; T48-Y53 HydrophobicContact CG2-CE1 3.45Å; T48-Y53 VanDerWaalsContact CG2-CE1 3.45Å; T48-Y53 HydrophobicContact CG2-CE2 4.31Å; T48-Y53 HydrophobicContact CG2-CG 4.16Å; D50-Y53 VanDerWaalsContact O-CD1 3.25Å; D50-Y53 WeakPolarHBondContact O-CD1 3.35Å; D50-Y53 WeakPolarHBondContact O-CE1 3.26Å; Y53-L55 HydrophobicContact CD2-CD1 4.42Å; Y53-L55 HydrophobicContact CD2-CD2 4.33Å; Y53-L55 HydrophobicContact CD2-CG 4.07Å; Y53-L55 HydrophobicContact CE2-CD1 3.98Å; Y53-L55 HydrophobicContact CE2-CD2 4.45Å; Y53-L55 HydrophobicContact CE2-CG 4.13Å; Y53-S74 VanDerWaalsContact CE2-CB 3.45Å; Y53-S74 PolarHBondContact N-OG 3Å; Y53-S74 VanDerWaalsContact O-CB 3.3Å; Y53-S74 WeakPolarHBondContact O-CB 3.26Å; Y53-S74 PolarHBondContact O-N 3.45Å; Y53-S74 PolarHBondContact O-OG 2.77Å; Y53-M115 HydrophobicContact CD2-CG 4.49Å; Y53-M115 HydrophobicContact CD2-SD 4.47Å; Y53-R116 CarbonylContact C-O 3.44Å; Y53-R116 VanDerWaalsContact CA-O 3.3Å; Y53-R116 WeakPolarHBondContact CA-O 3.31Å; Y53-R116 VanDerWaalsContact CB-O 3.31Å; Y53-R116 WeakPolarHBondContact CB-O 3.05Å
54	F	98.4	Very high	96.6	Very high	42 Å²	42	57.9 Å²	57.9	18%	0.184	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.9	178.8	-51.5	-54.9	0	0	0	110	F56 R71 Q72 D73 Y75 M115 R116	F54-F56 HydrophobicContact CB-CD2 4.47Å; F54-F56 HydrophobicContact CB-CE1 4.37Å; F54-F56 HydrophobicContact CB-CE2 3.49Å; F54-F56 VanDerWaalsContact CB-CE2 3.49Å; F54-F56 HydrophobicContact CB-CZ 3.42Å; F54-F56 VanDerWaalsContact CB-CZ 3.42Å; F54-F56 HydrophobicContact CG-CZ 4.33Å; F54-F56 WeakPolarHBondContact O-CE2 3.42Å; F54-R71 VanDerWaalsContact CD1-CZ 3.45Å; F54-Q72 WeakPolarHBondContact CA-O 3.31Å; F54-D73 HydrophobicContact CD1-CB 4.44Å; F54-Y75 HydrophobicContact CE1-CE1 4.17Å; F54-M115 CarbonylContact O-C 3.55Å; F54-M115 VanDerWaalsContact O-CA 3.27Å; F54-M115 WeakPolarHBondContact O-CA 3.43Å; F54-R116 PolarHBondContact N-O 2.88Å; F54-R116 PolarHBondContact O-N 3.36Å
55	L	98.7	Very high	96.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.7	174.7	-60	162.7	0	0	0	108.6	Y46 Y53 R71 Q72 F89 I96 A114 M115	Y46-L55 HydrophobicContact CD1-CD1 3.9Å; Y46-L55 HydrophobicContact CD1-CD2 3.61Å; Y46-L55 HydrophobicContact CD1-CG 4.42Å; Y46-L55 HydrophobicContact CD2-CD2 4.18Å; Y46-L55 HydrophobicContact CE1-CD1 3.44Å; Y46-L55 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L55 HydrophobicContact CE1-CD2 4.01Å; Y46-L55 HydrophobicContact CE1-CG 4.36Å; Y46-L55 HydrophobicContact CG-CD2 3.72Å; Y53-L55 HydrophobicContact CD2-CD1 4.42Å; Y53-L55 HydrophobicContact CD2-CD2 4.33Å; Y53-L55 HydrophobicContact CD2-CG 4.07Å; Y53-L55 HydrophobicContact CE2-CD1 3.98Å; Y53-L55 HydrophobicContact CE2-CD2 4.45Å; Y53-L55 HydrophobicContact CE2-CG 4.13Å; L55-R71 CarbonylContact O-C 3.44Å; L55-R71 VanDerWaalsContact O-CA 3.22Å; L55-R71 WeakPolarHBondContact O-CA 3.4Å; L55-Q72 HydrophobicContact CB-CB 4.3Å; L55-Q72 PolarHBondContact N-O 3.46Å; L55-Q72 PolarHBondContact O-N 2.94Å; L55-F89 HydrophobicContact CD1-CD2 4.02Å; L55-F89 HydrophobicContact CD1-CE2 3.67Å; L55-I96 HydrophobicContact CB-CG1 4.24Å; L55-I96 HydrophobicContact CB-CG2 4.36Å; L55-I96 HydrophobicContact CD1-CB 3.91Å; L55-I96 HydrophobicContact CD1-CD1 4.45Å; L55-I96 HydrophobicContact CD1-CG1 4.1Å; L55-I96 HydrophobicContact CD1-CG2 4.04Å; L55-I96 HydrophobicContact CD2-CG2 4.31Å; L55-I96 HydrophobicContact CG-CG2 4.48Å; L55-A114 CarbonylContact C-O 3.5Å; L55-A114 WeakPolarHBondContact CA-O 3.41Å; L55-M115 HydrophobicContact CD2-CB 3.85Å; L55-M115 HydrophobicContact CD2-CG 3.7Å; L55-M115 HydrophobicContact CD2-SD 4.21Å
56	F	98.7	Very high	96.6	Very high	21 Å²	21	64.8 Å²	64.8	9%	0.092	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.2	-172.7	-51.6	-98.9	0	0	0	110.1	F54 Y58 F68 I70 R71 C113 A114 R116	F54-F56 HydrophobicContact CB-CD2 4.47Å; F54-F56 HydrophobicContact CB-CE1 4.37Å; F54-F56 HydrophobicContact CB-CE2 3.49Å; F54-F56 VanDerWaalsContact CB-CE2 3.49Å; F54-F56 HydrophobicContact CB-CZ 3.42Å; F54-F56 VanDerWaalsContact CB-CZ 3.42Å; F54-F56 HydrophobicContact CG-CZ 4.33Å; F54-F56 WeakPolarHBondContact O-CE2 3.42Å; F56-Y58 HydrophobicContact CB-CD2 4.16Å; F56-Y58 HydrophobicContact CB-CE2 3.42Å; F56-Y58 VanDerWaalsContact CB-CE2 3.42Å; F56-Y58 HydrophobicContact CG-CE2 4.15Å; F56-F68 HydrophobicContact CD1-CD2 4.43Å; F56-F68 AromaticContact CD1-CE2 3.87Å; F56-F68 HydrophobicContact CD1-CE2 3.87Å; F56-I70 WeakPolarHBondContact CA-O 3.22Å; F56-R71 HydrophobicContact CD1-CB 4.05Å; F56-R71 HydrophobicContact CD1-CG 4.06Å; F56-R71 HydrophobicContact CE1-CB 4.29Å; F56-R71 HydrophobicContact CE1-CG 3.89Å; F56-R71 HydrophobicContact CZ-CG 4.49Å; F56-C113 CarbonylContact O-C 3.51Å; F56-C113 WeakPolarHBondContact O-CA 3.43Å; F56-A114 HydrophobicContact CB-CB 4.42Å; F56-A114 PolarHBondContact N-O 3.42Å; F56-A114 PolarHBondContact O-N 2.83Å; F56-R116 HydrophobicContact CE2-CB 3.75Å; F56-R116 HydrophobicContact CZ-CB 4.29Å
57	W	98.8	Very high	96.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	161.7	-79.8	88.6	0	0	0	110.3	Q27 M42 C44 L69 I70 L87 I96 L98 F112 C113	Q27-W57 HydrophobicContact CG-CH2 4.44Å; M42-W57 HydrophobicContact CB-CH2 3.65Å; M42-W57 HydrophobicContact CB-CZ2 4.37Å; M42-W57 HydrophobicContact CB-CZ3 4.06Å; M42-W57 WeakPolarHBondContact O-CZ2 3.43Å; C44-W57 HydrophobicContact CB-CH2 4.14Å; C44-W57 HydrophobicContact CB-CZ2 3.54Å; W57-L69 WeakPolarHBondContact O-CB 3.21Å; W57-L69 PolarHBondContact O-N 3Å; W57-I70 HydrophobicContact CB-CG2 3.96Å; W57-I70 PolarHBondContact N-O 2.96Å; W57-I70 PolarHBondContact O-N 3.45Å; W57-L87 VanDerWaalsContact CD1-CD2 3.46Å; W57-L87 HydrophobicContact CG-CD2 4.35Å; W57-I96 WeakPolarHBondContact CZ2-O 3.46Å; W57-I96 PolarHBondContact NE1-O 3.05Å; W57-L98 HydrophobicContact CB-CD1 4.42Å; W57-L98 HydrophobicContact CB-CD2 4.03Å; W57-L98 HydrophobicContact CD2-CB 3.51Å; W57-L98 HydrophobicContact CD2-CD2 3.86Å; W57-L98 HydrophobicContact CD2-CG 4.25Å; W57-L98 VanDerWaalsContact CE2-CB 3.47Å; W57-L98 HydrophobicContact CE3-CB 3.98Å; W57-L98 HydrophobicContact CE3-CD2 3.75Å; W57-L98 HydrophobicContact CG-CB 3.8Å; W57-L98 HydrophobicContact CG-CD1 4.4Å; W57-L98 HydrophobicContact CG-CD2 4.02Å; W57-L98 HydrophobicContact CG-CG 4.3Å; W57-L98 HydrophobicContact CH2-CB 4.32Å; W57-L98 HydrophobicContact CZ2-CB 3.89Å; W57-L98 HydrophobicContact CZ3-CB 4.37Å; W57-L98 HydrophobicContact CZ3-CD2 4.45Å; W57-F112 CarbonylContact C-O 3.6Å; W57-F112 WeakPolarHBondContact CA-O 3.43Å; W57-C113 HydrophobicContact CD2-CB 4.18Å; W57-C113 HydrophobicContact CE3-CB 4.31Å; W57-C113 HydrophobicContact CH2-CB 4.09Å; W57-C113 HydrophobicContact CZ2-CB 3.95Å; W57-C113 HydrophobicContact CZ3-CB 4.26Å
58	Y	98.7	Very high	96.7	Very high	68 Å²	68	66.9 Å²	66.9	27%	0.267	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.8	175.4	-60.8	-95.9	0	0	0	109.1	F56 I66 V67 F68 Y111 F112 A114	F56-Y58 HydrophobicContact CB-CD2 4.16Å; F56-Y58 HydrophobicContact CB-CE2 3.42Å; F56-Y58 VanDerWaalsContact CB-CE2 3.42Å; F56-Y58 HydrophobicContact CG-CE2 4.15Å; Y58-I66 HydrophobicContact CD1-CG2 3.88Å; Y58-I66 HydrophobicContact CG-CG2 4.24Å; Y58-V67 CarbonylContact C-O 3.54Å; Y58-V67 WeakPolarHBondContact CA-O 3.35Å; Y58-F68 HydrophobicContact CD1-CB 3.99Å; Y58-F68 HydrophobicContact CD1-CD2 4.39Å; Y58-F68 HydrophobicContact CE1-CB 3.79Å; Y58-F68 AromaticContact CE1-CD2 3.84Å; Y58-F68 HydrophobicContact CE1-CD2 3.84Å; Y58-F68 HydrophobicContact CE1-CG 4.31Å; Y58-Y111 WeakPolarHBondContact O-CA 3.38Å; Y58-F112 PolarHBondContact N-O 2.84Å; Y58-F112 PolarHBondContact O-N 3.16Å; Y58-A114 HydrophobicContact CE2-CB 4.12Å
59	K	97.9	Very high	96.9	Very high	32 Å²	32	66 Å²	66	14%	0.139	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.7	162.3	69.8	-179.1	179.2	-179.4	0	111.1	V67 L69 Y85 A109 V110 Y111	K59-V67 HydrophobicContact CG-CB 4.03Å; K59-V67 PolarHBondContact N-O 2.92Å; K59-V67 PolarHBondContact O-N 3.2Å; K59-L69 HydrophobicContact CB-CD1 4.1Å; K59-L69 HydrophobicContact CB-CD2 4.47Å; K59-L69 HydrophobicContact CB-CG 4.48Å; K59-L69 HydrophobicContact CD-CD2 3.91Å; K59-L69 HydrophobicContact CG-CD1 4.38Å; K59-L69 HydrophobicContact CG-CD2 3.85Å; K59-L69 HydrophobicContact CG-CG 4.34Å; K59-Y85 PolarHBondContact NZ-OH 2.95Å; K59-A109 HydrophobicContact CB-CB 3.93Å; K59-A109 HydrophobicContact CD-CB 4.22Å; K59-A109 HydrophobicContact CG-CB 4.44Å; K59-V110 CarbonylContact C-O 3.53Å; K59-V110 VanDerWaalsContact CA-O 3.31Å; K59-V110 WeakPolarHBondContact CA-O 3.22Å; K59-Y111 HydrophobicContact CB-CD1 3.85Å; K59-Y111 HydrophobicContact CB-CE1 3.73Å; K59-Y111 HydrophobicContact CB-CG 4.41Å; K59-Y111 HydrophobicContact CD-CE1 4.29Å
60	Q	98.5	Very high	97.3	Very high	65 Å²	65	54.1 Å²	54.1	30%	0.304	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.6	166.7	-177.2	168.9	45.5	0	0	109.1	G64 E65 I66 A109 V110 F112	Q60-G64 PolarHBondContact NE2-O 2.9Å; Q60-E65 CarbonylContact C-O 3.59Å; Q60-E65 VanDerWaalsContact CA-O 3.26Å; Q60-E65 WeakPolarHBondContact CA-O 3.3Å; Q60-I66 HydrophobicContact CB-CD1 3.55Å; Q60-I66 HydrophobicContact CG-CD1 3.68Å; Q60-A109 VanDerWaalsContact O-CB 3.26Å; Q60-A109 WeakPolarHBondContact O-CB 3.31Å; Q60-V110 HydrophobicContact CB-CB 4.31Å; Q60-V110 PolarHBondContact N-O 2.83Å; Q60-V110 PolarHBondContact O-N 2.82Å; Q60-V110 VanDerWaalsContact O-N 3.16Å; Q60-F112 HydrophobicContact CB-CD2 4.43Å; Q60-F112 HydrophobicContact CB-CE2 3.66Å
61	T	96.5	Very high	97.6	Very high	38 Å²	38	54.1 Å²	54.1	23%	0.233	31%	0.309	C	S	.	.			trans	-71.2	168	177.6	70.9	0	0	0	0	110.7	S63 G64 E65 V67	T61-S63 PolarHBondContact O-N 2.97Å; T61-S63 PolarHBondContact OG1-N 2.8Å; T61-S63 PolarHBondContact OG1-OG 2.91Å; T61-G64 PolarHBondContact O-N 2.84Å; T61-E65 PolarHBondContact N-O 2.78Å; T61-V67 HydrophobicContact CG2-CG2 4.07Å
62	A	95.3	Very high	97.9	Very high	111 Å²	111	49.3 Å²	49.3	92%	0.917	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.3	175.3	0	0	0	0	0	113.7	G64	A62-G64 VanDerWaalsContact C-N 3.29Å
63	S	96.5	Very high	98	Very high	98 Å²	98	46.8 Å²	46.8	69%	0.685	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.5	174.9	72.9	0	0	0	0	114.1	T61 E65	T61-S63 PolarHBondContact O-N 2.97Å; T61-S63 PolarHBondContact OG1-N 2.8Å; T61-S63 PolarHBondContact OG1-OG 2.91Å; S63-E65 PolarHBondContact OG-N 2.93Å
64	G	96.7	Very high	98	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	26%	0.257	S	S	.	.			trans	90.4	-6.6	-174.3	0	0	0	0	0	114.5	Q60 T61 A62 I66	Q60-G64 PolarHBondContact NE2-O 2.9Å; T61-G64 PolarHBondContact O-N 2.84Å; A62-G64 VanDerWaalsContact C-N 3.29Å; G64-I66 PolarHBondContact O-N 3.46Å
65	E	98	Very high	98	Very high	120 Å²	120	51.3 Å²	51.3	56%	0.561	28%	0.275	S	S	*	.			trans	-61.3	130.2	175.2	-177.8	-172.6	-148.8	0	0	111.6	Q60 T61 S63 V67	Q60-E65 CarbonylContact C-O 3.59Å; Q60-E65 VanDerWaalsContact CA-O 3.26Å; Q60-E65 WeakPolarHBondContact CA-O 3.3Å; T61-E65 PolarHBondContact N-O 2.78Å; S63-E65 PolarHBondContact OG-N 2.93Å; E65-V67 HydrophobicContact CG-CG2 4Å
66	I	98.3	Very high	97.9	Very high	94 Å²	94	55.8 Å²	55.8	48%	0.482	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.9	173.4	-55.5	-57.7	0	0	0	109.7	Y58 Q60 G64	Y58-I66 HydrophobicContact CD1-CG2 3.88Å; Y58-I66 HydrophobicContact CG-CG2 4.24Å; Q60-I66 HydrophobicContact CB-CD1 3.55Å; Q60-I66 HydrophobicContact CG-CD1 3.68Å; G64-I66 PolarHBondContact O-N 3.46Å
67	V	98.5	Very high	97.7	Very high	43 Å²	43	63.8 Å²	63.8	26%	0.261	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.3	-177.8	-178.4	0	0	0	0	109.4	Y58 K59 T61 E65 L69	Y58-V67 CarbonylContact C-O 3.54Å; Y58-V67 WeakPolarHBondContact CA-O 3.35Å; K59-V67 HydrophobicContact CG-CB 4.03Å; K59-V67 PolarHBondContact N-O 2.92Å; K59-V67 PolarHBondContact O-N 3.2Å; T61-V67 HydrophobicContact CG2-CG2 4.07Å; E65-V67 HydrophobicContact CG-CG2 4Å; V67-L69 HydrophobicContact CG1-CD2 4.48Å
68	F	98.6	Very high	97.7	Very high	109 Å²	109	70.3 Å²	70.3	48%	0.478	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.9	169.7	169.8	-104.6	0	0	0	110.4	F56 Y58 I70 R71	F56-F68 HydrophobicContact CD1-CD2 4.43Å; F56-F68 AromaticContact CD1-CE2 3.87Å; F56-F68 HydrophobicContact CD1-CE2 3.87Å; Y58-F68 HydrophobicContact CD1-CB 3.99Å; Y58-F68 HydrophobicContact CD1-CD2 4.39Å; Y58-F68 HydrophobicContact CE1-CB 3.79Å; Y58-F68 AromaticContact CE1-CD2 3.84Å; Y58-F68 HydrophobicContact CE1-CD2 3.84Å; Y58-F68 HydrophobicContact CE1-CG 4.31Å; F68-I70 VanDerWaalsContact CE2-C 3.47Å; F68-I70 WeakPolarHBondContact CE2-O 3.2Å; F68-I70 VanDerWaalsContact CZ-C 3.47Å; F68-R71 HydrophobicContact CE2-CB 4.01Å; F68-R71 HydrophobicContact CZ-CB 3.79Å
69	L	98.7	Very high	97.7	Very high	12 Å²	12	70.6 Å²	70.6	6%	0.063	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-58.1	179.2	-59.1	179.7	0	0	0	111.8	W57 K59 V67 Y85 L98 Y111	W57-L69 WeakPolarHBondContact O-CB 3.21Å; W57-L69 PolarHBondContact O-N 3Å; K59-L69 HydrophobicContact CB-CD1 4.1Å; K59-L69 HydrophobicContact CB-CD2 4.47Å; K59-L69 HydrophobicContact CB-CG 4.48Å; K59-L69 HydrophobicContact CD-CD2 3.91Å; K59-L69 HydrophobicContact CG-CD1 4.38Å; K59-L69 HydrophobicContact CG-CD2 3.85Å; K59-L69 HydrophobicContact CG-CG 4.34Å; V67-L69 HydrophobicContact CG1-CD2 4.48Å; L69-Y85 HydrophobicContact CD1-CD1 4.39Å; L69-Y85 HydrophobicContact CD1-CE1 4.14Å; L69-Y85 HydrophobicContact CD2-CD2 4.35Å; L69-Y85 HydrophobicContact CD2-CE1 4.5Å; L69-Y85 HydrophobicContact CD2-CE2 3.75Å; L69-L98 HydrophobicContact CD1-CD2 3.95Å; L69-Y111 HydrophobicContact CD1-CD1 3.76Å; L69-Y111 HydrophobicContact CD1-CE1 3.61Å
70	I	98.8	Very high	97.7	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	151.4	-165.7	-167.6	159.2	0	0	0	111.7	F56 W57 F68 A80 V82 L87 L98	F56-I70 WeakPolarHBondContact CA-O 3.22Å; W57-I70 HydrophobicContact CB-CG2 3.96Å; W57-I70 PolarHBondContact N-O 2.96Å; W57-I70 PolarHBondContact O-N 3.45Å; F68-I70 VanDerWaalsContact CE2-C 3.47Å; F68-I70 WeakPolarHBondContact CE2-O 3.2Å; F68-I70 VanDerWaalsContact CZ-C 3.47Å; I70-A80 HydrophobicContact CD1-CB 3.86Å; I70-A80 WeakPolarHBondContact CD1-O 3.49Å; I70-A80 HydrophobicContact CG1-CB 3.8Å; I70-V82 HydrophobicContact CD1-CB 4.15Å; I70-V82 HydrophobicContact CD1-CG2 3.95Å; I70-V82 HydrophobicContact CG1-CG2 4.01Å; I70-L87 HydrophobicContact CD1-CD1 4.43Å; I70-L87 HydrophobicContact CD1-CG 4.05Å; I70-L87 HydrophobicContact CG1-CD1 4.02Å; I70-L87 HydrophobicContact CG1-CG 4.14Å; I70-L87 HydrophobicContact CG2-CD1 4.01Å; I70-L87 HydrophobicContact CG2-CD2 3.63Å; I70-L87 HydrophobicContact CG2-CG 3.92Å; I70-L98 HydrophobicContact CG2-CD1 4.06Å
71	R	98.6	Very high	97.7	Very high	78 Å²	78	71.7 Å²	71.7	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137	-179.8	172.5	179.9	167.3	-86.7	7.6	111.2	F54 L55 F56 F68 D73 A80	F54-R71 VanDerWaalsContact CD1-CZ 3.45Å; L55-R71 CarbonylContact O-C 3.44Å; L55-R71 VanDerWaalsContact O-CA 3.22Å; L55-R71 WeakPolarHBondContact O-CA 3.4Å; F56-R71 HydrophobicContact CD1-CB 4.05Å; F56-R71 HydrophobicContact CD1-CG 4.06Å; F56-R71 HydrophobicContact CE1-CB 4.29Å; F56-R71 HydrophobicContact CE1-CG 3.89Å; F56-R71 HydrophobicContact CZ-CG 4.49Å; F68-R71 HydrophobicContact CE2-CB 4.01Å; F68-R71 HydrophobicContact CZ-CB 3.79Å; R71-D73 VanDerWaalsContact CZ-CG 3.49Å; R71-D73 IonicContact CZ-OD1 3.08Å; R71-D73 IonicContact CZ-OD2 3.16Å; R71-D73 IonicContact NH1-OD1 3.51Å; R71-D73 PolarHBondContact NH1-OD1 2.84Å; R71-D73 IonicContact NH1-OD2 3.11Å; R71-D73 PolarHBondContact NH1-OD2 2.74Å; R71-D73 IonicContact NH2-OD1 2.92Å; R71-D73 IonicContact NH2-OD2 3.18Å; R71-D73 PolarHBondContact NH2-OD2 2.91Å; R71-A80 WeakPolarHBondContact O-CB 3.36Å
72	Q	98.7	Very high	97.8	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.5	167.4	-174.5	67.2	42.9	0	0	110.1	F54 L55 E78 L87 F89 I96	F54-Q72 WeakPolarHBondContact CA-O 3.31Å; L55-Q72 HydrophobicContact CB-CB 4.3Å; L55-Q72 PolarHBondContact N-O 3.46Å; L55-Q72 PolarHBondContact O-N 2.94Å; Q72-E78 PolarHBondContact NE2-O 2.79Å; Q72-E78 PolarHBondContact OE1-O 2.8Å; Q72-L87 HydrophobicContact CB-CD1 3.69Å; Q72-F89 HydrophobicContact CG-CB 3.95Å; Q72-F89 HydrophobicContact CG-CD1 3.58Å; Q72-F89 HydrophobicContact CG-CD2 4.06Å; Q72-F89 HydrophobicContact CG-CE1 4Å; Q72-F89 HydrophobicContact CG-CE2 4.42Å; Q72-F89 HydrophobicContact CG-CG 3.6Å; Q72-F89 HydrophobicContact CG-CZ 4.41Å; Q72-I96 HydrophobicContact CB-CD1 4.16Å; Q72-I96 HydrophobicContact CG-CD1 4.33Å
73	D	98.4	Very high	97.9	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.1	167.5	-53.5	65.8	0	0	0	109.7	F54 R71 Y75 K76	F54-D73 HydrophobicContact CD1-CB 4.44Å; R71-D73 VanDerWaalsContact CZ-CG 3.49Å; R71-D73 IonicContact CZ-OD1 3.08Å; R71-D73 IonicContact CZ-OD2 3.16Å; R71-D73 IonicContact NH1-OD1 3.51Å; R71-D73 PolarHBondContact NH1-OD1 2.84Å; R71-D73 IonicContact NH1-OD2 3.11Å; R71-D73 PolarHBondContact NH1-OD2 2.74Å; R71-D73 IonicContact NH2-OD1 2.92Å; R71-D73 IonicContact NH2-OD2 3.18Å; R71-D73 PolarHBondContact NH2-OD2 2.91Å; D73-Y75 HydrophobicContact CB-CD1 3.95Å; D73-Y75 HydrophobicContact CB-CD2 4.34Å; D73-Y75 HydrophobicContact CB-CE1 3.61Å; D73-Y75 HydrophobicContact CB-CE2 4.04Å; D73-Y75 HydrophobicContact CB-CG 4.31Å; D73-Y75 PolarHBondContact O-N 3.18Å; D73-Y75 VanDerWaalsContact O-N 3.12Å; D73-Y75 WeakPolarHBondContact OD2-CE1 3.39Å; D73-Y75 PolarHBondContact OD2-OH 2.93Å; D73-K76 HydrophobicContact CB-CB 4.33Å; D73-K76 HydrophobicContact CB-CD 3.91Å; D73-K76 HydrophobicContact CB-CG 3.94Å; D73-K76 PolarHBondContact O-N 3.33Å; D73-K76 WeakPolarHBondContact OD1-CE 3.37Å; D73-K76 IonicContact OD1-NZ 3.77Å; D73-K76 PolarHBondContact OD1-NZ 3.07Å
74	S	97.7	Very high	98	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.021	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18	-177.2	75.8	0	0	0	0	114.4	S51 S52 Y53 K91	S51-S74 PolarHBondContact O-OG 2.88Å; S52-S74 VanDerWaalsContact CA-OG 3.31Å; S52-S74 WeakPolarHBondContact CA-OG 3.5Å; Y53-S74 VanDerWaalsContact CE2-CB 3.45Å; Y53-S74 PolarHBondContact N-OG 3Å; Y53-S74 VanDerWaalsContact O-CB 3.3Å; Y53-S74 WeakPolarHBondContact O-CB 3.26Å; Y53-S74 PolarHBondContact O-N 3.45Å; Y53-S74 PolarHBondContact O-OG 2.77Å; S74-K91 PolarHBondContact O-NZ 2.75Å
75	Y	96.5	Very high	98.1	Very high	142 Å²	142	68.6 Å²	68.6	56%	0.557	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.9	177.5	59.6	-100.3	0	0	0	113.3	F54 D73	F54-Y75 HydrophobicContact CE1-CE1 4.17Å; D73-Y75 HydrophobicContact CB-CD1 3.95Å; D73-Y75 HydrophobicContact CB-CD2 4.34Å; D73-Y75 HydrophobicContact CB-CE1 3.61Å; D73-Y75 HydrophobicContact CB-CE2 4.04Å; D73-Y75 HydrophobicContact CB-CG 4.31Å; D73-Y75 PolarHBondContact O-N 3.18Å; D73-Y75 VanDerWaalsContact O-N 3.12Å; D73-Y75 WeakPolarHBondContact OD2-CE1 3.39Å; D73-Y75 PolarHBondContact OD2-OH 2.93Å
76	K	97.8	Very high	98.1	Very high	93 Å²	93	64.1 Å²	64.1	40%	0.404	33%	0.333	S	S	.	.			trans	-85.8	137.5	174	-70.9	178.1	-174.9	165.5	0	110	D73	D73-K76 HydrophobicContact CB-CB 4.33Å; D73-K76 HydrophobicContact CB-CD 3.91Å; D73-K76 HydrophobicContact CB-CG 3.94Å; D73-K76 PolarHBondContact O-N 3.33Å; D73-K76 WeakPolarHBondContact OD1-CE 3.37Å; D73-K76 IonicContact OD1-NZ 3.77Å; D73-K76 PolarHBondContact OD1-NZ 3.07Å
77	K	94.8	Very high	98.1	Very high	190 Å²	190	59.8 Å²	59.8	83%	0.826	31%	0.31	S	S	*	.			trans	-87	-33.7	176.9	-68.8	-178.5	-179.8	177.2	0	111.2
78	E	98.1	Very high	98.1	Very high	137 Å²	137	60 Å²	60	64%	0.64	31%	0.31	S	S	*	.	S	Bend	trans	-74.6	139.6	-179	-56.8	72.3	-157.9	0	0	109.9	Q72	Q72-E78 PolarHBondContact NE2-O 2.79Å; Q72-E78 PolarHBondContact OE1-O 2.8Å
79	N	98.7	Very high	98.1	Very high	73 Å²	73	56 Å²	56	39%	0.39	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69	129.6	173.3	-75.9	-25.5	0	0	0	110.1	L87 F89	N79-L87 WeakPolarHBondContact CB-O 3.49Å; N79-L87 PolarHBondContact ND2-O 3.05Å; N79-L87 PolarHBondContact OD1-O 3.12Å; N79-F89 VanDerWaalsContact OD1-CB 3.31Å; N79-F89 WeakPolarHBondContact OD1-CB 3.49Å; N79-F89 PolarHBondContact OD1-N 2.03Å
80	A	98.7	Very high	98.1	Very high	24 Å²	24	58.5 Å²	58.5	20%	0.198	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.1	142.1	171.8	0	0	0	0	0	110.7	I70 R71 S86 L87	I70-A80 HydrophobicContact CD1-CB 3.86Å; I70-A80 WeakPolarHBondContact CD1-O 3.49Å; I70-A80 HydrophobicContact CG1-CB 3.8Å; R71-A80 WeakPolarHBondContact O-CB 3.36Å; A80-S86 WeakPolarHBondContact O-CA 3.07Å; A80-L87 HydrophobicContact CB-CD1 4.07Å; A80-L87 HydrophobicContact CB-CG 4.47Å; A80-L87 PolarHBondContact O-N 2.92Å
81	T	98.7	Very high	98	Very high	96 Å²	96	62.4 Å²	62.4	59%	0.589	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	133	173.9	-57.6	0	0	0	0	109.5	Y85	T81-Y85 CarbonylContact C-O 3.48Å; T81-Y85 WeakPolarHBondContact CA-O 3.31Å
82	V	98.6	Very high	97.8	Very high	80 Å²	80	64.9 Å²	64.9	49%	0.485	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	110.3	177	178.7	0	0	0	0	108.4	I70 H84 Y85	I70-V82 HydrophobicContact CD1-CB 4.15Å; I70-V82 HydrophobicContact CD1-CG2 3.95Å; I70-V82 HydrophobicContact CG1-CG2 4.01Å; V82-H84 PolarHBondContact O-N 2.66Å; V82-Y85 PolarHBondContact N-O 3.1Å; V82-Y85 WeakPolarHBondContact O-CB 3.28Å; V82-Y85 PolarHBondContact O-N 2.86Å
83	G	97.1	Very high	97.7	Very high	78 Å²	78	71.7 Å²	71.7	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-125.9	-174.6	0	0	0	0	0	111	Y85	G83-Y85 VanDerWaalsContact C-N 3.33Å
84	H	97.6	Very high	97.6	Very high	40 Å²	40	73.3 Å²	73.3	19%	0.185	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.6	176.5	65	-166.4	0	0	0	114.8	V82 T101 D107	V82-H84 PolarHBondContact O-N 2.66Å; H84-T101 WeakPolarHBondContact CB-O 3.19Å; H84-T101 PolarHBondContact O-N 2.7Å; H84-T101 VanDerWaalsContact O-N 3.07Å; H84-T101 PolarHBondContact O-OG1 2.71Å; H84-D107 IonicContact CE1-OD1 2.7Å; H84-D107 PolarHBondContact CE1-OD1 3.23Å; H84-D107 IonicContact CE1-OD2 3.85Å; H84-D107 PolarHBondContact CE1-OD2 2.72Å; H84-D107 IonicContact NE2-OD1 2.86Å; H84-D107 PolarHBondContact NE2-OD1 2.9Å; H84-D107 VanDerWaalsContact NE2-OD1 3.08Å; H84-D107 IonicContact NE2-OD2 2.66Å
85	Y	98.7	Very high	97.7	Very high	22 Å²	22	73.9 Å²	73.9	9%	0.086	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.4	175.9	-58.2	-65.6	0	0	0	109.4	K59 L69 T81 V82 G83 L98 I99 I100 D107 Y111	K59-Y85 PolarHBondContact NZ-OH 2.95Å; L69-Y85 HydrophobicContact CD1-CD1 4.39Å; L69-Y85 HydrophobicContact CD1-CE1 4.14Å; L69-Y85 HydrophobicContact CD2-CD2 4.35Å; L69-Y85 HydrophobicContact CD2-CE1 4.5Å; L69-Y85 HydrophobicContact CD2-CE2 3.75Å; T81-Y85 CarbonylContact C-O 3.48Å; T81-Y85 WeakPolarHBondContact CA-O 3.31Å; V82-Y85 PolarHBondContact N-O 3.1Å; V82-Y85 WeakPolarHBondContact O-CB 3.28Å; V82-Y85 PolarHBondContact O-N 2.86Å; G83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-L98 HydrophobicContact CD1-CD1 4.06Å; Y85-L98 HydrophobicContact CG-CD1 4.49Å; Y85-I99 WeakPolarHBondContact CA-O 3.4Å; Y85-I100 HydrophobicContact CD1-CB 4.44Å; Y85-I100 HydrophobicContact CD1-CD1 4.33Å; Y85-I100 HydrophobicContact CD1-CG1 3.84Å; Y85-I100 HydrophobicContact CD1-CG2 4.2Å; Y85-I100 HydrophobicContact CE1-CB 4.44Å; Y85-I100 HydrophobicContact CE1-CD1 3.84Å; Y85-I100 HydrophobicContact CE1-CG1 3.83Å; Y85-I100 HydrophobicContact CE1-CG2 3.92Å; Y85-D107 PolarHBondContact OH-OD1 2.85Å; Y85-Y111 HydrophobicContact CE1-CE1 4.45Å
86	S	98.8	Very high	97.8	Very high	26 Å²	26	67.1 Å²	67.1	18%	0.182	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.4	168.2	58.3	0	0	0	0	110.4	A80 I99	A80-S86 WeakPolarHBondContact O-CA 3.07Å; S86-I99 PolarHBondContact N-O 2.85Å; S86-I99 PolarHBondContact O-N 2.92Å; S86-I99 WeakPolarHBondContact OG-CB 3.31Å
87	L	98.8	Very high	97.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147	177.6	-64	-177.7	0	0	0	111.2	W57 I70 Q72 N79 A80 I96 G97 L98	W57-L87 VanDerWaalsContact CD1-CD2 3.46Å; W57-L87 HydrophobicContact CG-CD2 4.35Å; I70-L87 HydrophobicContact CD1-CD1 4.43Å; I70-L87 HydrophobicContact CD1-CG 4.05Å; I70-L87 HydrophobicContact CG1-CD1 4.02Å; I70-L87 HydrophobicContact CG1-CG 4.14Å; I70-L87 HydrophobicContact CG2-CD1 4.01Å; I70-L87 HydrophobicContact CG2-CD2 3.63Å; I70-L87 HydrophobicContact CG2-CG 3.92Å; Q72-L87 HydrophobicContact CB-CD1 3.69Å; N79-L87 WeakPolarHBondContact CB-O 3.49Å; N79-L87 PolarHBondContact ND2-O 3.05Å; N79-L87 PolarHBondContact OD1-O 3.12Å; A80-L87 HydrophobicContact CB-CD1 4.07Å; A80-L87 HydrophobicContact CB-CG 4.47Å; A80-L87 PolarHBondContact O-N 2.92Å; L87-I96 HydrophobicContact CB-CD1 3.74Å; L87-I96 HydrophobicContact CD1-CD1 3.96Å; L87-I96 HydrophobicContact CD1-CG1 4.35Å; L87-I96 HydrophobicContact CD2-CD1 4.4Å; L87-I96 HydrophobicContact CD2-CG1 4.42Å; L87-I96 HydrophobicContact CG-CD1 4.23Å; L87-G97 CarbonylContact C-O 3.58Å; L87-G97 VanDerWaalsContact CA-O 3.28Å; L87-G97 WeakPolarHBondContact CA-O 3.46Å; L87-L98 HydrophobicContact CD2-CB 4.37Å; L87-L98 HydrophobicContact CD2-CD1 3.99Å
88	N	98.4	Very high	98	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	83.4	166	177.9	26.1	0	0	0	107.9	Q90 I96 G97 I99	N88-Q90 PolarHBondContact O-N 2.84Å; N88-I96 WeakPolarHBondContact O-CA 3.47Å; N88-G97 PolarHBondContact N-O 3.44Å; N88-G97 PolarHBondContact O-N 2.81Å; N88-G97 VanDerWaalsContact O-N 3.08Å; N88-I99 HydrophobicContact CB-CD1 4.09Å
89	F	98.5	Very high	98	Very high	25 Å²	25	49 Å²	49	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.8	-177.6	-178.8	-141.2	0	0	0	111.4	Y46 L55 Q72 N79 K91 I96	Y46-F89 HydrophobicContact CE1-CE2 4.41Å; Y46-F89 WeakPolarHBondContact OH-CE2 3.49Å; L55-F89 HydrophobicContact CD1-CD2 4.02Å; L55-F89 HydrophobicContact CD1-CE2 3.67Å; Q72-F89 HydrophobicContact CG-CB 3.95Å; Q72-F89 HydrophobicContact CG-CD1 3.58Å; Q72-F89 HydrophobicContact CG-CD2 4.06Å; Q72-F89 HydrophobicContact CG-CE1 4Å; Q72-F89 HydrophobicContact CG-CE2 4.42Å; Q72-F89 HydrophobicContact CG-CG 3.6Å; Q72-F89 HydrophobicContact CG-CZ 4.41Å; N79-F89 VanDerWaalsContact OD1-CB 3.31Å; N79-F89 WeakPolarHBondContact OD1-CB 3.49Å; N79-F89 PolarHBondContact OD1-N 2.03Å; F89-K91 HydrophobicContact CE1-CB 4.03Å; F89-K91 HydrophobicContact CE1-CD 4.47Å; F89-K91 HydrophobicContact CE2-CB 3.97Å; F89-K91 HydrophobicContact CE2-CG 4.44Å; F89-K91 HydrophobicContact CZ-CB 3.58Å; F89-K91 HydrophobicContact CZ-CD 4.07Å; F89-K91 HydrophobicContact CZ-CG 3.88Å; F89-I96 HydrophobicContact CB-CD1 3.63Å; F89-I96 HydrophobicContact CD2-CD1 3.9Å; F89-I96 HydrophobicContact CG-CD1 4.13Å
90	Q	97.8	Very high	98	Very high	63 Å²	63	45.6 Å²	45.6	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	74.3	179.3	-59.9	-168.6	-32	0	0	109.8	N88 P92 K93 S94 S95	N88-Q90 PolarHBondContact O-N 2.84Å; Q90-P92 VanDerWaalsContact C-CD 3.44Å; Q90-P92 VanDerWaalsContact C-N 3.35Å; Q90-K93 HydrophobicContact CB-CB 4.24Å; Q90-K93 HydrophobicContact CB-CD 4.47Å; Q90-K93 CarbonylContact O-C 3.48Å; Q90-K93 PolarHBondContact O-N 3.37Å; Q90-S94 PolarHBondContact O-N 3.08Å; Q90-S95 PolarHBondContact N-O 3.5Å; Q90-S95 PolarHBondContact O-N 3.03Å
91	K	96.1	Very high	98	Very high	84 Å²	84	47.1 Å²	47.1	37%	0.365	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-47.8	-45.5	-178.4	-167.2	172.5	-172.2	170.6	0	114.3	S51 S74 F89 K93 S94	S51-K91 PolarHBondContact O-NZ 3.35Å; S74-K91 PolarHBondContact O-NZ 2.75Å; F89-K91 HydrophobicContact CE1-CB 4.03Å; F89-K91 HydrophobicContact CE1-CD 4.47Å; F89-K91 HydrophobicContact CE2-CB 3.97Å; F89-K91 HydrophobicContact CE2-CG 4.44Å; F89-K91 HydrophobicContact CZ-CB 3.58Å; F89-K91 HydrophobicContact CZ-CD 4.07Å; F89-K91 HydrophobicContact CZ-CG 3.88Å; K91-K93 PolarHBondContact O-N 2.83Å; K91-S94 PolarHBondContact O-N 3.47Å; K91-S94 VanDerWaalsContact O-N 3.12Å
92	P	95.2	Very high	98	Very high	131 Å²	131	45.1 Å²	45.1	85%	0.851	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.8	-179.7	-21.8	34.9	0	0	0	114.4	Q90	Q90-P92 VanDerWaalsContact C-CD 3.44Å; Q90-P92 VanDerWaalsContact C-N 3.35Å
93	K	96.8	Very high	97.9	Very high	143 Å²	143	41.6 Å²	41.6	62%	0.622	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-104	4	178.7	-61.6	-176	-177.2	175.7	0	112.6	Q90 K91 S95	Q90-K93 HydrophobicContact CB-CB 4.24Å; Q90-K93 HydrophobicContact CB-CD 4.47Å; Q90-K93 CarbonylContact O-C 3.48Å; Q90-K93 PolarHBondContact O-N 3.37Å; K91-K93 PolarHBondContact O-N 2.83Å; K93-S95 PolarHBondContact O-N 2.82Å
94	S	97.2	Very high	97.9	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	45.6	-169.8	-51.3	0	0	0	0	112.9	V45 Y46 Q90 K91	V45-S94 CarbonylContact C-O 3.57Å; V45-S94 VanDerWaalsContact CA-O 3.31Å; V45-S94 WeakPolarHBondContact CA-O 3.35Å; V45-S94 WeakPolarHBondContact CG1-O 3Å; Y46-S94 VanDerWaalsContact CD1-C 3.46Å; Y46-S94 WeakPolarHBondContact CD1-O 2.93Å; Y46-S94 WeakPolarHBondContact CE1-O 3.35Å; Y46-S94 VanDerWaalsContact CZ-CA 3.43Å; Y46-S94 PolarHBondContact N-O 2.98Å; Y46-S94 WeakPolarHBondContact O-CB 3.42Å; Q90-S94 PolarHBondContact O-N 3.08Å; K91-S94 PolarHBondContact O-N 3.47Å; K91-S94 VanDerWaalsContact O-N 3.12Å
95	S	98.1	Very high	97.8	Very high	15 Å²	15	46 Å²	46	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.9	-175.9	177.2	0	0	0	0	111.9	C44 Q90 K93	C44-S95 CarbonylContact O-C 3.5Å; C44-S95 WeakPolarHBondContact O-CA 3.41Å; C44-S95 PolarHBondContact O-OG 3.32Å; Q90-S95 PolarHBondContact N-O 3.5Å; Q90-S95 PolarHBondContact O-N 3.03Å; K93-S95 PolarHBondContact O-N 2.82Å
96	I	98.5	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	90.8	-179.6	-172.6	62.5	0	0	0	111.1	C44 Y46 L55 W57 Q72 L87 N88 F89	C44-I96 HydrophobicContact CB-CG2 3.89Å; C44-I96 WeakPolarHBondContact CB-O 3.49Å; C44-I96 PolarHBondContact O-N 3.14Å; Y46-I96 HydrophobicContact CD1-CG2 4.05Å; Y46-I96 HydrophobicContact CE1-CB 4.48Å; Y46-I96 HydrophobicContact CE1-CG2 4.41Å; L55-I96 HydrophobicContact CB-CG1 4.24Å; L55-I96 HydrophobicContact CB-CG2 4.36Å; L55-I96 HydrophobicContact CD1-CB 3.91Å; L55-I96 HydrophobicContact CD1-CD1 4.45Å; L55-I96 HydrophobicContact CD1-CG1 4.1Å; L55-I96 HydrophobicContact CD1-CG2 4.04Å; L55-I96 HydrophobicContact CD2-CG2 4.31Å; L55-I96 HydrophobicContact CG-CG2 4.48Å; W57-I96 WeakPolarHBondContact CZ2-O 3.46Å; W57-I96 PolarHBondContact NE1-O 3.05Å; Q72-I96 HydrophobicContact CB-CD1 4.16Å; Q72-I96 HydrophobicContact CG-CD1 4.33Å; L87-I96 HydrophobicContact CB-CD1 3.74Å; L87-I96 HydrophobicContact CD1-CD1 3.96Å; L87-I96 HydrophobicContact CD1-CG1 4.35Å; L87-I96 HydrophobicContact CD2-CD1 4.4Å; L87-I96 HydrophobicContact CD2-CG1 4.42Å; L87-I96 HydrophobicContact CG-CD1 4.23Å; N88-I96 WeakPolarHBondContact O-CA 3.47Å; F89-I96 HydrophobicContact CB-CD1 3.63Å; F89-I96 HydrophobicContact CD2-CD1 3.9Å; F89-I96 HydrophobicContact CG-CD1 4.13Å
97	G	98.4	Very high	97.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.1	176	0	0	0	0	0	112.1	M42 L87 N88	M42-G97 CarbonylContact O-C 3.57Å; M42-G97 WeakPolarHBondContact O-CA 3.34Å; L87-G97 CarbonylContact C-O 3.58Å; L87-G97 VanDerWaalsContact CA-O 3.28Å; L87-G97 WeakPolarHBondContact CA-O 3.46Å; N88-G97 PolarHBondContact N-O 3.44Å; N88-G97 PolarHBondContact O-N 2.81Å; N88-G97 VanDerWaalsContact O-N 3.08Å
98	L	98.8	Very high	97.5	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.6	164.3	174.3	64.2	0	0	0	109.2	T41 M42 W57 L69 I70 Y85 L87 I100 Y111	T41-L98 CarbonylContact C-O 3.55Å; T41-L98 VanDerWaalsContact CA-O 3.3Å; T41-L98 WeakPolarHBondContact CA-O 3.3Å; M42-L98 HydrophobicContact CE-CB 4.36Å; M42-L98 HydrophobicContact CE-CD2 3.53Å; M42-L98 HydrophobicContact CE-CG 3.99Å; M42-L98 PolarHBondContact N-O 2.76Å; M42-L98 PolarHBondContact O-N 3.15Å; W57-L98 HydrophobicContact CB-CD1 4.42Å; W57-L98 HydrophobicContact CB-CD2 4.03Å; W57-L98 HydrophobicContact CD2-CB 3.51Å; W57-L98 HydrophobicContact CD2-CD2 3.86Å; W57-L98 HydrophobicContact CD2-CG 4.25Å; W57-L98 VanDerWaalsContact CE2-CB 3.47Å; W57-L98 HydrophobicContact CE3-CB 3.98Å; W57-L98 HydrophobicContact CE3-CD2 3.75Å; W57-L98 HydrophobicContact CG-CB 3.8Å; W57-L98 HydrophobicContact CG-CD1 4.4Å; W57-L98 HydrophobicContact CG-CD2 4.02Å; W57-L98 HydrophobicContact CG-CG 4.3Å; W57-L98 HydrophobicContact CH2-CB 4.32Å; W57-L98 HydrophobicContact CZ2-CB 3.89Å; W57-L98 HydrophobicContact CZ3-CB 4.37Å; W57-L98 HydrophobicContact CZ3-CD2 4.45Å; L69-L98 HydrophobicContact CD1-CD2 3.95Å; I70-L98 HydrophobicContact CG2-CD1 4.06Å; Y85-L98 HydrophobicContact CD1-CD1 4.06Å; Y85-L98 HydrophobicContact CG-CD1 4.49Å; L87-L98 HydrophobicContact CD2-CB 4.37Å; L87-L98 HydrophobicContact CD2-CD1 3.99Å; L98-I100 HydrophobicContact CD2-CG1 4.48Å; L98-I100 HydrophobicContact CG-CG1 4.29Å; L98-Y111 HydrophobicContact CD2-CD1 3.61Å; L98-Y111 HydrophobicContact CD2-CE1 4Å
99	I	98.8	Very high	97.4	Very high	39 Å²	39	54.2 Å²	54.2	20%	0.2	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.2	174.7	-58.8	169.1	0	0	0	108	T39 V40 T41 Y85 S86 N88 T101	T39-I99 HydrophobicContact CG2-CG2 3.6Å; V40-I99 WeakPolarHBondContact O-CA 3.3Å; T41-I99 HydrophobicContact CG2-CG1 4.15Å; Y85-I99 WeakPolarHBondContact CA-O 3.4Å; S86-I99 PolarHBondContact N-O 2.85Å; S86-I99 PolarHBondContact O-N 2.92Å; S86-I99 WeakPolarHBondContact OG-CB 3.31Å; N88-I99 HydrophobicContact CB-CD1 4.09Å; I99-T101 HydrophobicContact CG2-CG2 4.17Å
100	I	98.7	Very high	97.4	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.7	170.9	-42.7	179.9	0	0	0	107.3	T39 V40 M42 Y85 L98 T103 Y111	T39-I100 VanDerWaalsContact CA-O 3.31Å; T39-I100 WeakPolarHBondContact CA-O 3.27Å; V40-I100 HydrophobicContact CG1-CB 3.83Å; V40-I100 HydrophobicContact CG1-CD1 4.16Å; V40-I100 HydrophobicContact CG1-CG1 4.08Å; V40-I100 PolarHBondContact N-O 3.12Å; V40-I100 PolarHBondContact O-N 3.18Å; M42-I100 HydrophobicContact CE-CD1 3.54Å; M42-I100 HydrophobicContact CE-CG1 4.03Å; Y85-I100 HydrophobicContact CD1-CB 4.44Å; Y85-I100 HydrophobicContact CD1-CD1 4.33Å; Y85-I100 HydrophobicContact CD1-CG1 3.84Å; Y85-I100 HydrophobicContact CD1-CG2 4.2Å; Y85-I100 HydrophobicContact CE1-CB 4.44Å; Y85-I100 HydrophobicContact CE1-CD1 3.84Å; Y85-I100 HydrophobicContact CE1-CG1 3.83Å; Y85-I100 HydrophobicContact CE1-CG2 3.92Å; L98-I100 HydrophobicContact CD2-CG1 4.48Å; L98-I100 HydrophobicContact CG-CG1 4.29Å; I100-T103 HydrophobicContact CB-CG2 4.26Å; I100-T103 HydrophobicContact CG2-CG2 4.13Å; I100-Y111 HydrophobicContact CD1-CE1 3.73Å; I100-Y111 HydrophobicContact CD1-CE2 4.31Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.41Å
101	T	98.4	Very high	97.4	Very high	56 Å²	56	55 Å²	55	34%	0.344	31%	0.308	S	S	.	.			trans	-95.3	153.9	176.2	59	0	0	0	0	111	T39 H84 I99 T103	T39-T101 HydrophobicContact CG2-CG2 4.15Å; H84-T101 WeakPolarHBondContact CB-O 3.19Å; H84-T101 PolarHBondContact O-N 2.7Å; H84-T101 VanDerWaalsContact O-N 3.07Å; H84-T101 PolarHBondContact O-OG1 2.71Å; I99-T101 HydrophobicContact CG2-CG2 4.17Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 3.19Å
102	A	97.8	Very high	97.4	Very high	54 Å²	54	54.8 Å²	54.8	45%	0.446	31%	0.307	S	S	.	.	S	Bend	trans	51.4	48.1	176.3	0	0	0	0	0	112.5	T38	T38-A102 PolarHBondContact O-N 3.26Å
103	T	98.2	Very high	97.6	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.037	27%	0.27	C	S	.	.			trans	-50.5	142	-174.5	48.6	0	0	0	0	113.1	V34 V35 E36 K37 T38 V40 I100 T101	V34-T103 HydrophobicContact CG2-CG2 4.18Å; V35-T103 PolarHBondContact O-OG1 2.99Å; V35-T103 VanDerWaalsContact O-OG1 3.06Å; E36-T103 CarbonylContact C-O 3.53Å; E36-T103 WeakPolarHBondContact CA-O 3.33Å; K37-T103 PolarHBondContact N-O 2.76Å; K37-T103 PolarHBondContact N-OG1 2.93Å; T38-T103 PolarHBondContact N-OG1 3.16Å; T38-T103 WeakPolarHBondContact O-CG2 3.25Å; T38-T103 PolarHBondContact O-N 2.88Å; T38-T103 PolarHBondContact O-OG1 3.2Å; V40-T103 HydrophobicContact CB-CG2 4.48Å; V40-T103 HydrophobicContact CG1-CG2 3.77Å; I100-T103 HydrophobicContact CB-CG2 4.26Å; I100-T103 HydrophobicContact CG2-CG2 4.13Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 3.19Å
104	Q	97.4	Very high	97.6	Very high	99 Å²	99	43.6 Å²	43.6	46%	0.463	25%	0.253	S	S	.	.			trans	-125	166.3	178.3	-58.4	170.7	76.8	0	0	110.4	E106 D107	Q104-E106 WeakPolarHBondContact CB-OE2 3.13Å; Q104-E106 PolarHBondContact O-N 2.99Å; Q104-D107 PolarHBondContact N-OD2 2.55Å; Q104-D107 WeakPolarHBondContact O-CB 3.33Å; Q104-D107 PolarHBondContact O-N 3Å
105	I	95.5	Very high	97.6	Very high	110 Å²	110	42.2 Å²	42.2	56%	0.564	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-56.1	-35	177.8	-69.1	168.7	0	0	0	111.3	E36 D107 S108	E36-I105 HydrophobicContact CG-CG1 4.19Å; I105-D107 PolarHBondContact O-N 2.68Å; I105-S108 WeakPolarHBondContact O-CB 3.31Å; I105-S108 PolarHBondContact O-N 2.89Å; I105-S108 PolarHBondContact O-OG 2.85Å
106	E	95	Very high	97.5	Very high	134 Å²	134	48.7 Å²	48.7	63%	0.626	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-70	-11.1	180	-57.2	75.4	-164.4	0	0	113.7	Q104	Q104-E106 WeakPolarHBondContact CB-OE2 3.13Å; Q104-E106 PolarHBondContact O-N 2.99Å
107	D	96.8	Very high	97	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.08	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-80.1	-6.5	170	-68	-49.9	0	0	0	112.4	H84 Y85 Q104 I105 A109 Y111	H84-D107 IonicContact CE1-OD1 2.7Å; H84-D107 PolarHBondContact CE1-OD1 3.23Å; H84-D107 IonicContact CE1-OD2 3.85Å; H84-D107 PolarHBondContact CE1-OD2 2.72Å; H84-D107 IonicContact NE2-OD1 2.86Å; H84-D107 PolarHBondContact NE2-OD1 2.9Å; H84-D107 VanDerWaalsContact NE2-OD1 3.08Å; H84-D107 IonicContact NE2-OD2 2.66Å; Y85-D107 PolarHBondContact OH-OD1 2.85Å; Q104-D107 PolarHBondContact N-OD2 2.55Å; Q104-D107 WeakPolarHBondContact O-CB 3.33Å; Q104-D107 PolarHBondContact O-N 3Å; I105-D107 PolarHBondContact O-N 2.68Å; D107-A109 PolarHBondContact O-N 3.1Å; D107-Y111 VanDerWaalsContact O-CE2 3.3Å; D107-Y111 WeakPolarHBondContact O-CE2 3.46Å; D107-Y111 PolarHBondContact O-OH 3.48Å
108	S	96.5	Very high	96.9	Very high	90 Å²	90	55.8 Å²	55.8	63%	0.629	30%	0.299	S	S	*	.			trans	-65.6	105.3	174.8	-57.1	0	0	0	0	110.5	I105	I105-S108 WeakPolarHBondContact O-CB 3.31Å; I105-S108 PolarHBondContact O-N 2.89Å; I105-S108 PolarHBondContact O-OG 2.85Å
109	A	97.2	Very high	96.8	Very high	34 Å²	34	58.7 Å²	58.7	28%	0.281	32%	0.315	S	S	.	.	S	Bend	trans	-162.1	170	-174.1	0	0	0	0	0	110.9	K59 Q60 D107 Y111	K59-A109 HydrophobicContact CB-CB 3.93Å; K59-A109 HydrophobicContact CD-CB 4.22Å; K59-A109 HydrophobicContact CG-CB 4.44Å; Q60-A109 VanDerWaalsContact O-CB 3.26Å; Q60-A109 WeakPolarHBondContact O-CB 3.31Å; D107-A109 PolarHBondContact O-N 3.1Å; A109-Y111 HydrophobicContact CB-CD2 4.39Å; A109-Y111 HydrophobicContact CB-CE2 3.84Å; A109-Y111 WeakPolarHBondContact O-CD2 3.3Å
110	V	97.7	Very high	96.7	Very high	81 Å²	81	59.8 Å²	59.8	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.4	164.6	-174.9	0	0	0	0	108.4	K59 Q60 F112	K59-V110 CarbonylContact C-O 3.53Å; K59-V110 VanDerWaalsContact CA-O 3.31Å; K59-V110 WeakPolarHBondContact CA-O 3.22Å; Q60-V110 HydrophobicContact CB-CB 4.31Å; Q60-V110 PolarHBondContact N-O 2.83Å; Q60-V110 PolarHBondContact O-N 2.82Å; Q60-V110 VanDerWaalsContact O-N 3.16Å; V110-F112 HydrophobicContact CB-CE2 3.89Å; V110-F112 HydrophobicContact CB-CZ 4.08Å; V110-F112 HydrophobicContact CG1-CD2 4.39Å; V110-F112 HydrophobicContact CG1-CE1 4.02Å; V110-F112 HydrophobicContact CG1-CE2 3.54Å; V110-F112 HydrophobicContact CG1-CZ 3.34Å
111	Y	98.3	Very high	96.6	Very high	22 Å²	22	63.1 Å²	63.1	9%	0.086	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	-177.5	-70.4	-98	0	0	0	111.5	Q27 M42 Y58 K59 L69 Y85 L98 I100 D107 A109	Q27-Y111 PolarHBondContact NE2-O 2.79Å; M42-Y111 HydrophobicContact CE-CD1 3.71Å; M42-Y111 HydrophobicContact CE-CD2 3.88Å; M42-Y111 HydrophobicContact CE-CE1 4.03Å; M42-Y111 HydrophobicContact CE-CE2 4.21Å; M42-Y111 HydrophobicContact CE-CG 3.63Å; M42-Y111 WeakPolarHBondContact SD-CB 3.26Å; M42-Y111 HydrophobicContact SD-CD1 4.21Å; M42-Y111 HydrophobicContact SD-CD2 3.59Å; M42-Y111 VanDerWaalsContact SD-CD2 3.59Å; M42-Y111 HydrophobicContact SD-CE2 4.37Å; M42-Y111 HydrophobicContact SD-CG 3.5Å; M42-Y111 VanDerWaalsContact SD-CG 3.5Å; Y58-Y111 WeakPolarHBondContact O-CA 3.38Å; K59-Y111 HydrophobicContact CB-CD1 3.85Å; K59-Y111 HydrophobicContact CB-CE1 3.73Å; K59-Y111 HydrophobicContact CB-CG 4.41Å; K59-Y111 HydrophobicContact CD-CE1 4.29Å; L69-Y111 HydrophobicContact CD1-CD1 3.76Å; L69-Y111 HydrophobicContact CD1-CE1 3.61Å; Y85-Y111 HydrophobicContact CE1-CE1 4.45Å; L98-Y111 HydrophobicContact CD2-CD1 3.61Å; L98-Y111 HydrophobicContact CD2-CE1 4Å; I100-Y111 HydrophobicContact CD1-CE1 3.73Å; I100-Y111 HydrophobicContact CD1-CE2 4.31Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.41Å; D107-Y111 VanDerWaalsContact O-CE2 3.3Å; D107-Y111 WeakPolarHBondContact O-CE2 3.46Å; D107-Y111 PolarHBondContact O-OH 3.48Å; A109-Y111 HydrophobicContact CB-CD2 4.39Å; A109-Y111 HydrophobicContact CB-CE2 3.84Å; A109-Y111 WeakPolarHBondContact O-CD2 3.3Å
112	F	97.2	Very high	96.5	Very high	80 Å²	80	63.6 Å²	63.6	35%	0.351	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.9	-177.5	-57.7	-87.6	0	0	0	110.7	W57 Y58 Q60 V110	W57-F112 CarbonylContact C-O 3.6Å; W57-F112 WeakPolarHBondContact CA-O 3.43Å; Y58-F112 PolarHBondContact N-O 2.84Å; Y58-F112 PolarHBondContact O-N 3.16Å; Q60-F112 HydrophobicContact CB-CD2 4.43Å; Q60-F112 HydrophobicContact CB-CE2 3.66Å; V110-F112 HydrophobicContact CB-CE2 3.89Å; V110-F112 HydrophobicContact CB-CZ 4.08Å; V110-F112 HydrophobicContact CG1-CD2 4.39Å; V110-F112 HydrophobicContact CG1-CE1 4.02Å; V110-F112 HydrophobicContact CG1-CE2 3.54Å; V110-F112 HydrophobicContact CG1-CZ 3.34Å
113	C	98.3	Very high	96.4	Very high	8 Å²	8	64.2 Å²	64.2	5%	0.054	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145	166.4	179	0	0	0	0	109.5	Q27 C44 F56 W57	Q27-C113 HydrophobicContact CG-CB 4.22Å; C44-C113 HydrophobicContact CB-CB 3.42Å; C44-C113 VanDerWaalsContact CB-CB 3.42Å; C44-C113 WeakPolarHBondContact CB-SG 3.25Å; C44-C113 WeakPolarHBondContact SG-CB 3.19Å; C44-C113 CovalentContact SG-SG 2.03Å; C44-C113 PolarHBondContact SG-SG 2.93Å; F56-C113 CarbonylContact O-C 3.51Å; F56-C113 WeakPolarHBondContact O-CA 3.43Å; W57-C113 HydrophobicContact CD2-CB 4.18Å; W57-C113 HydrophobicContact CE3-CB 4.31Å; W57-C113 HydrophobicContact CH2-CB 4.09Å; W57-C113 HydrophobicContact CZ2-CB 3.95Å; W57-C113 HydrophobicContact CZ3-CB 4.26Å
114	A	97.9	Very high	96.3	Very high	32 Å²	32	68.4 Å²	68.4	26%	0.264	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.8	173.2	0	0	0	0	0	111.1	L55 F56 Y58	L55-A114 CarbonylContact C-O 3.5Å; L55-A114 WeakPolarHBondContact CA-O 3.41Å; F56-A114 HydrophobicContact CB-CB 4.42Å; F56-A114 PolarHBondContact N-O 3.42Å; F56-A114 PolarHBondContact O-N 2.83Å; Y58-A114 HydrophobicContact CE2-CB 4.12Å
115	M	96.7	Very high	96.2	Very high	8 Å²	8	66 Å²	66	4%	0.039	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.4	176.4	-174.2	-178.7	74.6	0	0	109.9	Q23 V25 Y46 E47 T48 Y53 F54 L55 E117	Q23-M115 HydrophobicContact CB-CE 4.18Å; Q23-M115 HydrophobicContact CG-CE 4.09Å; Q23-M115 PolarHBondContact OE1-O 3.24Å; V25-M115 HydrophobicContact CG1-CB 4.03Å; Y46-M115 HydrophobicContact CD2-SD 3.7Å; Y46-M115 HydrophobicContact CG-SD 4.14Å; E47-M115 WeakPolarHBondContact O-CE 3.4Å; T48-M115 HydrophobicContact CG2-SD 3.95Å; Y53-M115 HydrophobicContact CD2-CG 4.49Å; Y53-M115 HydrophobicContact CD2-SD 4.47Å; F54-M115 CarbonylContact O-C 3.55Å; F54-M115 VanDerWaalsContact O-CA 3.27Å; F54-M115 WeakPolarHBondContact O-CA 3.43Å; L55-M115 HydrophobicContact CD2-CB 3.85Å; L55-M115 HydrophobicContact CD2-CG 3.7Å; L55-M115 HydrophobicContact CD2-SD 4.21Å; M115-E117 HydrophobicContact CE-CG 4.14Å
116	R	95.5	Very high	96.3	Very high	151 Å²	151	62.3 Å²	62.3	57%	0.57	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.5	166.8	-174.2	-160.5	-68.3	-170.9	-4.3	108.9	Y53 F54 F56	Y53-R116 CarbonylContact C-O 3.44Å; Y53-R116 VanDerWaalsContact CA-O 3.3Å; Y53-R116 WeakPolarHBondContact CA-O 3.31Å; Y53-R116 VanDerWaalsContact CB-O 3.31Å; Y53-R116 WeakPolarHBondContact CB-O 3.05Å; F54-R116 PolarHBondContact N-O 2.88Å; F54-R116 PolarHBondContact O-N 3.36Å; F56-R116 HydrophobicContact CE2-CB 3.75Å; F56-R116 HydrophobicContact CZ-CB 4.29Å
117	E	88.2	Confident	96.4	Very high	93 Å²	93	55.8 Å²	55.8	44%	0.435	30%	0.298	S	S	.	.			trans	-82.9	0	167.3	-70.1	168.6	163.9	0	0	110.5	T48 D50 M115	T48-E117 VanDerWaalsContact CB-OE1 3.22Å; T48-E117 WeakPolarHBondContact CB-OE1 3.41Å; T48-E117 PolarHBondContact OG1-OE1 2.8Å; D50-E117 HydrophobicContact CB-CG 4.17Å; D50-E117 VanDerWaalsContact OD2-CB 3.3Å; D50-E117 WeakPolarHBondContact OD2-CB 3.17Å; D50-E117 VanDerWaalsContact OD2-CG 3.26Å; D50-E117 WeakPolarHBondContact OD2-CG 3.43Å; M115-E117 HydrophobicContact CE-CG 4.14Å

Retrieved 117 of 117 residues in 110.3 ms (Link to these results)

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