A0A075B5Z4_MOUSE Loading...

T cell receptor alpha variable 1

AlphaFold DB , UniProt , Accession A0A075B5Z4, Species MOUSE (Mus musculus, Mouse), Gene Trav1, Length 110 aa.

						>A0A075B5Z4_MOUSE|A0A075B5Z4|Trav1
MLQMWGFVLYLFLTVGGAAGQGVEQPAKLMSVEGTFARVNCTYSTSGFNGLSWYQQREGQAPVFLSYVVLDGLKDSGHFSTFLSRSNGYSYLLLTELQIKDSASYLCAVR
					

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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	36.9	Very low	47.3	Very low	243 Å²	243	144.4 Å²	144.4	100%	1.197	70%	0.703	S	S	*	*				0	90	0	-163.3	-177.4	-66.2	0	0	106.2	Q3	M1-Q3 PolarHBondContact O-N 3.08Å
2	L	33.6	Very low	47.2	Very low	176 Å²	176	140.8 Å²	140.8	92%	0.921	68%	0.681	S	S	*	*			trans	-76.8	116.8	-170.2	-78.4	152.5	0	0	0	109.6	M4	L2-M4 PolarHBondContact O-N 3.06Å
3	Q	43.5	Very low	47.7	Very low	173 Å²	173	130 Å²	130	81%	0.808	63%	0.629	S	S	*	*			trans	-69.9	107.7	163.4	-97	169.7	-40.6	0	0	108.1	M1 W5	M1-Q3 PolarHBondContact O-N 3.08Å; Q3-W5 PolarHBondContact O-N 3.17Å
4	M	45.6	Very low	47.9	Very low	180 Å²	180	126 Å²	126	89%	0.887	62%	0.617	S	S	*	*			trans	-73.8	107.7	165.5	-83.6	169	52.5	0	0	108.4	L2 G6	L2-M4 PolarHBondContact O-N 3.06Å; M4-G6 PolarHBondContact O-N 3.41Å
5	W	48.1	Very low	48.1	Very low	235 Å²	235	118.7 Å²	118.7	89%	0.89	58%	0.582	S	S	*	*			trans	-71	84.5	163.8	-69.6	57.2	0	0	0	107.3	Q3	Q3-W5 PolarHBondContact O-N 3.17Å
6	G	51.6	Low	47.9	Very low	55 Å²	55	113.6 Å²	113.6	57%	0.567	57%	0.57	S	S	*	*			trans	-68.4	131.8	168.5	0	0	0	0	0	109.1	M4 V8	M4-G6 PolarHBondContact O-N 3.41Å; G6-V8 PolarHBondContact O-N 3.17Å
7	F	54.7	Low	47.9	Very low	207 Å²	207	109 Å²	109	91%	0.908	56%	0.558	S	S	*	*			trans	-61.3	97.7	169.2	-77	-95.6	0	0	0	108.6	L9	F7-L9 PolarHBondContact O-N 3.2Å
8	V	51.6	Low	47.8	Very low	87 Å²	87	107.7 Å²	107.7	53%	0.527	57%	0.566	S	S	.	*			trans	-75	104.2	173.1	-179.3	0	0	0	0	107.4	G6 Y10 V32	G6-V8 PolarHBondContact O-N 3.17Å; V8-Y10 HydrophobicContact CB-CE2 4.33Å; V8-Y10 HydrophobicContact CG1-CD2 4.2Å; V8-Y10 HydrophobicContact CG1-CE2 3.73Å; V8-V32 HydrophobicContact CG1-CG1 4.27Å; V8-V32 HydrophobicContact CG1-CG2 4.18Å
9	L	53.2	Low	47.7	Very low	82 Å²	82	107.9 Å²	107.9	43%	0.429	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-86.1	126.1	176	-148.5	87.5	0	0	0	109.5	F7 I99	F7-L9 PolarHBondContact O-N 3.2Å; L9-I99 HydrophobicContact CD2-CD1 3.53Å; L9-I99 HydrophobicContact CD2-CG1 3.57Å
10	Y	50.9	Low	48	Very low	143 Å²	143	104.7 Å²	104.7	56%	0.561	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	121.7	-179	-78.8	-85.4	0	0	0	110.2	V8 M30	V8-Y10 HydrophobicContact CB-CE2 4.33Å; V8-Y10 HydrophobicContact CG1-CD2 4.2Å; V8-Y10 HydrophobicContact CG1-CE2 3.73Å; Y10-M30 HydrophobicContact CD1-CB 4.48Å; Y10-M30 HydrophobicContact CD1-CE 4.26Å; Y10-M30 HydrophobicContact CG-CE 4.31Å
11	L	50.6	Low	48.6	Very low	7 Å²	7	109.3 Å²	109.3	4%	0.037	60%	0.596	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	130.9	172.6	-95.6	102.7	0	0	0	111	M30 S31 Q98 D101 S102	L11-M30 WeakPolarHBondContact O-CA 3.47Å; L11-M30 WeakPolarHBondContact O-CE 3.36Å; L11-S31 PolarHBondContact N-O 3.07Å; L11-S31 PolarHBondContact O-N 2.99Å; L11-Q98 WeakPolarHBondContact CD2-O 3.18Å; L11-D101 HydrophobicContact CD2-CB 4.18Å; L11-S102 VanDerWaalsContact CD2-CA 3.46Å
12	F	46.3	Very low	50.7	Low	101 Å²	101	99.4 Å²	99.4	44%	0.443	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	111.5	174.1	-70.3	-74.9	0	0	0	109.7	K28 M30 S102	F12-K28 HydrophobicContact CD1-CD 4.42Å; F12-M30 HydrophobicContact CB-SD 4.37Å; F12-M30 HydrophobicContact CD1-CE 3.25Å; F12-M30 HydrophobicContact CD1-SD 3.01Å; F12-M30 WeakPolarHBondContact CD1-SD 3.26Å; F12-M30 HydrophobicContact CD2-CE 4.03Å; F12-M30 HydrophobicContact CE1-CE 3.15Å; F12-M30 HydrophobicContact CE1-SD 3.24Å; F12-M30 WeakPolarHBondContact CE1-SD 3.46Å; F12-M30 HydrophobicContact CE2-CE 3.96Å; F12-M30 HydrophobicContact CG-CE 3.7Å; F12-M30 HydrophobicContact CG-SD 3.86Å; F12-M30 HydrophobicContact CZ-CE 3.55Å; F12-M30 HydrophobicContact CZ-SD 4.23Å; F12-S102 PolarHBondContact O-OG 2.79Å
13	L	54	Low	53.5	Low	1 Å²	1	92.7 Å²	92.7	1%	0.005	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.4	173.8	-52.2	167.3	0	0	0	108.3	K28 L29 A37 V39 D101 A103 Y105	L13-K28 WeakPolarHBondContact O-CA 3.12Å; L13-L29 HydrophobicContact CB-CB 4.16Å; L13-L29 HydrophobicContact CD1-CB 4.13Å; L13-L29 HydrophobicContact CD1-CD2 3.83Å; L13-L29 HydrophobicContact CD1-CG 4.13Å; L13-L29 PolarHBondContact N-O 3.33Å; L13-L29 PolarHBondContact O-N 2.83Å; L13-A37 HydrophobicContact CD1-CB 3.95Å; L13-V39 HydrophobicContact CD1-CG2 4.41Å; L13-D101 WeakPolarHBondContact CD2-O 3.43Å; L13-A103 WeakPolarHBondContact CA-O 3.43Å; L13-Y105 HydrophobicContact CB-CD2 4.4Å; L13-Y105 HydrophobicContact CD2-CD2 3.84Å; L13-Y105 HydrophobicContact CD2-CE2 3.34Å; L13-Y105 HydrophobicContact CG-CE2 4.46Å
14	T	49.8	Very low	55.8	Low	74 Å²	74	91 Å²	91	45%	0.454	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.5	178.2	38.6	0	0	0	0	109.6	G16 S104	T14-G16 PolarHBondContact O-N 3.36Å; T14-S104 WeakPolarHBondContact O-CA 3.4Å; T14-S104 WeakPolarHBondContact O-CB 3.44Å; T14-S104 PolarHBondContact O-OG 3.18Å; T14-S104 PolarHBondContact OG1-OG 2.81Å
15	V	50.8	Low	58	Low	16 Å²	16	84.1 Å²	84.1	10%	0.097	48%	0.48	C	S	.	.			trans	-90.9	107.6	-177.1	-174.4	0	0	0	0	110.5	Q25 P26 A27 V39 Y105	V15-Q25 HydrophobicContact CB-CB 4.19Å; V15-Q25 HydrophobicContact CG1-CB 3.26Å; V15-Q25 HydrophobicContact CG1-CG 3.83Å; V15-P26 WeakPolarHBondContact CB-O 3.48Å; V15-P26 HydrophobicContact CG2-CG 4.45Å; V15-P26 WeakPolarHBondContact CG2-O 3.45Å; V15-A27 PolarHBondContact N-O 2.64Å; V15-A27 VanDerWaalsContact N-O 3.17Å; V15-V39 HydrophobicContact CG2-CG1 3.89Å; V15-Y105 WeakPolarHBondContact CG1-O 3.42Å
16	G	44.8	Very low	59.9	Low	37 Å²	37	75.3 Å²	75.3	38%	0.381	45%	0.452	S	S	.	.			trans	-98.9	84.3	175.1	0	0	0	0	0	111.9	T14 L106	T14-G16 PolarHBondContact O-N 3.36Å; G16-L106 WeakPolarHBondContact O-CD2 3.11Å
17	G	47.7	Very low	61.3	Low	36 Å²	36	76.6 Å²	76.6	37%	0.371	46%	0.458	S	S	.	.			trans	-67.5	131.8	164.8	0	0	0	0	0	109.3	A19	G17-A19 PolarHBondContact O-N 2.76Å
18	A	47.1	Very low	62.7	Low	85 Å²	85	72.7 Å²	72.7	70%	0.702	44%	0.441	S	S	*	.			trans	-57.3	128	158.5	0	0	0	0	0	106.3	G20	A18-G20 PolarHBondContact O-N 2.75Å
19	A	45.8	Very low	64.5	Low	113 Å²	113	70.7 Å²	70.7	93%	0.934	43%	0.427	S	S	*	.			trans	-67.3	64.9	171.7	0	0	0	0	0	109.8	G17	G17-A19 PolarHBondContact O-N 2.76Å
20	G	53.1	Low	66.1	Low	43 Å²	43	69.9 Å²	69.9	44%	0.443	42%	0.422	S	S	.	.			trans	-80.8	136.2	159.5	0	0	0	0	0	107.3	A18 G22 V23	A18-G20 PolarHBondContact O-N 2.75Å; G20-G22 PolarHBondContact O-N 3.38Å; G20-V23 PolarHBondContact O-N 2.85Å
21	Q	61.4	Low	68	Low	202 Å²	202	63.8 Å²	63.8	94%	0.944	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	109.4	-179.9	-72.5	173.2	-22.2	0	0	110.2
22	G	81.7	Confident	69.9	Low	34 Å²	34	66 Å²	66	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.5	-0.7	168.7	0	0	0	0	0	117.7	G20 Y43 S44	G20-G22 PolarHBondContact O-N 3.38Å; G22-Y43 CarbonylContact O-C 3.51Å; G22-Y43 WeakPolarHBondContact O-CA 3.45Å; G22-S44 PolarHBondContact O-N 2.86Å
23	V	90.4	Very high	72.1	Confident	36 Å²	36	65.5 Å²	65.5	22%	0.218	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.5	174.5	-179.9	0	0	0	0	111.5	G20 Q25 T42 C107 V109	G20-V23 PolarHBondContact O-N 2.85Å; V23-Q25 HydrophobicContact CG1-CG 4.39Å; V23-T42 CarbonylContact C-O 3.36Å; V23-T42 WeakPolarHBondContact CA-O 3.29Å; V23-C107 HydrophobicContact CG1-CB 4.45Å; V23-V109 HydrophobicContact CG2-CG2 4.21Å
24	E	92.1	Very high	74	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.8	177.5	-59.5	178.7	167.7	0	0	111.3	C41 T42	E24-C41 WeakPolarHBondContact O-CA 3.37Å; E24-T42 WeakPolarHBondContact CB-OG1 3.48Å; E24-T42 PolarHBondContact N-O 2.96Å; E24-T42 PolarHBondContact O-N 3.03Å; E24-T42 PolarHBondContact O-OG1 2.91Å
25	Q	91.9	Very high	76.1	Confident	36 Å²	36	67.6 Å²	67.6	17%	0.168	44%	0.437	C	S	.	.			trans	-144.5	153.5	179.3	-62.2	-171.3	-95.3	0	0	110.2	V15 V23 A27 C41 W53 Y105 C107	V15-Q25 HydrophobicContact CB-CB 4.19Å; V15-Q25 HydrophobicContact CG1-CB 3.26Å; V15-Q25 HydrophobicContact CG1-CG 3.83Å; V23-Q25 HydrophobicContact CG1-CG 4.39Å; Q25-A27 PolarHBondContact O-N 2.62Å; Q25-C41 HydrophobicContact CG-CB 4.11Å; Q25-W53 VanDerWaalsContact NE2-CZ3 3.35Å; Q25-Y105 PolarHBondContact NE2-O 3.36Å; Q25-Y105 VanDerWaalsContact NE2-O 3.14Å; Q25-C107 VanDerWaalsContact CD-CB 3.42Å; Q25-C107 HydrophobicContact CG-CB 4.2Å
26	P	88.6	Confident	78.1	Confident	49 Å²	49	73 Å²	73	32%	0.318	46%	0.459	S	S	.	.			trans	-68.8	125.2	179.5	27.5	-33.4	0	0	0	110.7	V15 K28 N40	V15-P26 WeakPolarHBondContact CB-O 3.48Å; V15-P26 HydrophobicContact CG2-CG 4.45Å; V15-P26 WeakPolarHBondContact CG2-O 3.45Å; P26-K28 PolarHBondContact O-N 2.9Å; P26-N40 VanDerWaalsContact CD-O 3.25Å; P26-N40 WeakPolarHBondContact CD-O 3.43Å
27	A	80.8	Confident	80.5	Confident	83 Å²	83	71.3 Å²	71.3	69%	0.686	44%	0.442	S	S	*	.	S	Bend	trans	-54.4	-31.6	-175.7	0	0	0	0	0	114.3	V15 Q25	V15-A27 PolarHBondContact N-O 2.64Å; V15-A27 VanDerWaalsContact N-O 3.17Å; Q25-A27 PolarHBondContact O-N 2.62Å
28	K	84.9	Confident	82.8	Confident	125 Å²	125	75.2 Å²	75.2	54%	0.543	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	136.3	-177	-167.5	176	-175.1	175.5	0	110.6	F12 L13 P26 M30	F12-K28 HydrophobicContact CD1-CD 4.42Å; L13-K28 WeakPolarHBondContact O-CA 3.12Å; P26-K28 PolarHBondContact O-N 2.9Å; K28-M30 HydrophobicContact CG-SD 4.34Å
29	L	88.6	Confident	85.1	Confident	44 Å²	44	71.1 Å²	71.1	23%	0.23	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.1	170.5	-177.5	66.8	0	0	0	109.6	L13 A37 R38 V39	L13-L29 HydrophobicContact CB-CB 4.16Å; L13-L29 HydrophobicContact CD1-CB 4.13Å; L13-L29 HydrophobicContact CD1-CD2 3.83Å; L13-L29 HydrophobicContact CD1-CG 4.13Å; L13-L29 PolarHBondContact N-O 3.33Å; L13-L29 PolarHBondContact O-N 2.83Å; L29-A37 HydrophobicContact CD2-CB 4.19Å; L29-R38 VanDerWaalsContact CD2-O 3.31Å; L29-R38 WeakPolarHBondContact CD2-O 3.3Å; L29-V39 HydrophobicContact CD2-CG2 4.26Å
30	M	87.5	Confident	87.6	Confident	66 Å²	66	68.7 Å²	68.7	33%	0.325	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.1	176.5	-59.3	-50.7	-60.7	0	0	109.7	Y10 L11 F12 K28	Y10-M30 HydrophobicContact CD1-CB 4.48Å; Y10-M30 HydrophobicContact CD1-CE 4.26Å; Y10-M30 HydrophobicContact CG-CE 4.31Å; L11-M30 WeakPolarHBondContact O-CA 3.47Å; L11-M30 WeakPolarHBondContact O-CE 3.36Å; F12-M30 HydrophobicContact CB-SD 4.37Å; F12-M30 HydrophobicContact CD1-CE 3.25Å; F12-M30 HydrophobicContact CD1-SD 3.01Å; F12-M30 WeakPolarHBondContact CD1-SD 3.26Å; F12-M30 HydrophobicContact CD2-CE 4.03Å; F12-M30 HydrophobicContact CE1-CE 3.15Å; F12-M30 HydrophobicContact CE1-SD 3.24Å; F12-M30 WeakPolarHBondContact CE1-SD 3.46Å; F12-M30 HydrophobicContact CE2-CE 3.96Å; F12-M30 HydrophobicContact CG-CE 3.7Å; F12-M30 HydrophobicContact CG-SD 3.86Å; F12-M30 HydrophobicContact CZ-CE 3.55Å; F12-M30 HydrophobicContact CZ-SD 4.23Å; K28-M30 HydrophobicContact CG-SD 4.34Å
31	S	90.8	Very high	89.6	Confident	15 Å²	15	66.7 Å²	66.7	11%	0.105	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161.9	176.2	-61.4	0	0	0	0	111	L11 L97	L11-S31 PolarHBondContact N-O 3.07Å; L11-S31 PolarHBondContact O-N 2.99Å; S31-L97 VanDerWaalsContact CB-CD1 3.43Å
32	V	90.2	Very high	91.2	Very high	54 Å²	54	59.8 Å²	59.8	33%	0.327	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.6	-176.3	-177.7	0	0	0	0	108.8	V8 T35	V8-V32 HydrophobicContact CG1-CG1 4.27Å; V8-V32 HydrophobicContact CG1-CG2 4.18Å; V32-T35 HydrophobicContact CB-CG2 4.02Å; V32-T35 PolarHBondContact O-N 3.13Å; V32-T35 PolarHBondContact O-OG1 2.87Å
33	E	92.8	Very high	91.7	Very high	90 Å²	90	59.1 Å²	59.1	42%	0.421	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	143.8	173	-169.2	172.7	-151.1	0	0	111.4	T35 L97	E33-T35 PolarHBondContact O-N 3.31Å; E33-L97 VanDerWaalsContact CG-O 3.3Å; E33-L97 WeakPolarHBondContact CG-O 3.43Å
34	G	92.5	Very high	91.7	Very high	58 Å²	58	61.8 Å²	61.8	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-6.6	-177.6	0	0	0	0	0	114.9	L97	G34-L97 PolarHBondContact N-O 2.73Å
35	T	94.3	Very high	91.4	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	33%	0.33	S	S	.	.	S	Bend	trans	-95	-166.6	175.8	75.3	0	0	0	0	111.7	V32 E33 E96 L97	V32-T35 HydrophobicContact CB-CG2 4.02Å; V32-T35 PolarHBondContact O-N 3.13Å; V32-T35 PolarHBondContact O-OG1 2.87Å; E33-T35 PolarHBondContact O-N 3.31Å; T35-E96 PolarHBondContact O-N 2.74Å; T35-L97 WeakPolarHBondContact O-CB 3.42Å; T35-L97 WeakPolarHBondContact O-CG 3.47Å; T35-L97 PolarHBondContact O-N 3.12Å
36	F	94.1	Very high	90.9	Very high	128 Å²	128	63.3 Å²	63.3	56%	0.561	37%	0.369	S	S	*	.			trans	-106.2	156.8	169.8	68.1	-88.2	0	0	0	110.9	L93 L94	F36-L93 HydrophobicContact CB-CD1 4.22Å; F36-L93 HydrophobicContact CD2-CD1 3.8Å; F36-L93 HydrophobicContact CG-CD1 4.37Å; F36-L94 CarbonylContact C-O 3.57Å; F36-L94 WeakPolarHBondContact CA-O 3.32Å; F36-L94 WeakPolarHBondContact CB-O 3.33Å
37	A	94.9	Very high	90.7	Very high	2 Å²	2	62.5 Å²	62.5	2%	0.017	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.7	167	0	0	0	0	0	109.8	L13 L29 L93 L94 L97	L13-A37 HydrophobicContact CD1-CB 3.95Å; L29-A37 HydrophobicContact CD2-CB 4.19Å; A37-L93 WeakPolarHBondContact O-CA 3.01Å; A37-L94 HydrophobicContact CB-CB 4.46Å; A37-L94 PolarHBondContact N-O 2.93Å; A37-L94 PolarHBondContact O-N 3.48Å; A37-L97 HydrophobicContact CB-CD1 3.79Å; A37-L97 HydrophobicContact CB-CD2 4.1Å; A37-L97 HydrophobicContact CB-CG 4.39Å
38	R	95.8	Very high	91.1	Very high	118 Å²	118	60.8 Å²	60.8	45%	0.445	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.5	172.8	-174.8	-175.1	-64	173.4	0.8	109.8	L29 N40 Y91 L92 L93	L29-R38 VanDerWaalsContact CD2-O 3.31Å; L29-R38 WeakPolarHBondContact CD2-O 3.3Å; R38-N40 WeakPolarHBondContact CD-OD1 3.3Å; R38-Y91 HydrophobicContact CG-CD2 3.85Å; R38-Y91 HydrophobicContact CG-CG 3.86Å; R38-L92 CarbonylContact C-O 3.6Å; R38-L92 WeakPolarHBondContact CA-O 3.24Å; R38-L93 HydrophobicContact CB-CD1 4.5Å
39	V	96.1	Very high	91.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.7	174.1	-173.7	0	0	0	0	108.5	L13 V15 L29 W53 Y91 L92 L94 Y105	L13-V39 HydrophobicContact CD1-CG2 4.41Å; V15-V39 HydrophobicContact CG2-CG1 3.89Å; L29-V39 HydrophobicContact CD2-CG2 4.26Å; V39-W53 HydrophobicContact CB-CH2 4.24Å; V39-W53 HydrophobicContact CB-CZ3 4.16Å; V39-W53 HydrophobicContact CG1-CH2 3.93Å; V39-W53 HydrophobicContact CG1-CZ3 3.72Å; V39-W53 VanDerWaalsContact O-CH2 3.31Å; V39-W53 WeakPolarHBondContact O-CH2 3.44Å; V39-Y91 CarbonylContact O-C 3.58Å; V39-Y91 WeakPolarHBondContact O-CA 3.18Å; V39-Y91 WeakPolarHBondContact O-CB 3.47Å; V39-L92 HydrophobicContact CB-CB 4.37Å; V39-L92 PolarHBondContact N-O 2.94Å; V39-L92 PolarHBondContact O-N 3.25Å; V39-L94 HydrophobicContact CG2-CD1 4.28Å; V39-Y105 HydrophobicContact CG2-CG 4.32Å
40	N	96.3	Very high	91.6	Very high	62 Å²	62	57.8 Å²	57.8	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	148.5	-179.4	-68	-27.3	0	0	0	111.5	P26 R38 Y89	P26-N40 VanDerWaalsContact CD-O 3.25Å; P26-N40 WeakPolarHBondContact CD-O 3.43Å; R38-N40 WeakPolarHBondContact CD-OD1 3.3Å; N40-Y89 HydrophobicContact CB-CE2 4.13Å; N40-Y89 PolarHBondContact OD1-OH 2.97Å
41	C	95.6	Very high	92	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	118.6	172	176.7	0	0	0	0	109	E24 Q25 W53 Y89 S90 C107	E24-C41 WeakPolarHBondContact O-CA 3.37Å; Q25-C41 HydrophobicContact CG-CB 4.11Å; C41-W53 HydrophobicContact CB-CH2 3.64Å; C41-W53 HydrophobicContact CB-CZ2 3.62Å; C41-Y89 WeakPolarHBondContact O-CA 3.44Å; C41-Y89 WeakPolarHBondContact O-CD2 3.27Å; C41-S90 PolarHBondContact N-O 2.91Å; C41-S90 PolarHBondContact O-N 2.92Å; C41-C107 HydrophobicContact CB-CB 3.56Å; C41-C107 WeakPolarHBondContact CB-SG 3.43Å; C41-C107 WeakPolarHBondContact SG-CB 3.38Å; C41-C107 CovalentContact SG-SG 2.05Å; C41-C107 PolarHBondContact SG-SG 2.76Å
42	T	95.7	Very high	92.2	Very high	57 Å²	57	54.1 Å²	54.1	35%	0.35	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145	165.8	39.4	0	0	0	0	108.7	V23 E24 G88 Y89	V23-T42 CarbonylContact C-O 3.36Å; V23-T42 WeakPolarHBondContact CA-O 3.29Å; E24-T42 WeakPolarHBondContact CB-OG1 3.48Å; E24-T42 PolarHBondContact N-O 2.96Å; E24-T42 PolarHBondContact O-N 3.03Å; E24-T42 PolarHBondContact O-OG1 2.91Å; T42-G88 CarbonylContact C-O 3.49Å; T42-G88 VanDerWaalsContact CA-O 3.32Å; T42-G88 WeakPolarHBondContact CA-O 3.34Å; T42-Y89 HydrophobicContact CG2-CD2 3.87Å
43	Y	92.4	Very high	92.5	Very high	20 Å²	20	51.5 Å²	51.5	8%	0.078	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.2	-179.7	64.6	-93.5	0	0	0	112.1	G22 T45 F48 L51 L83 R85 G88 V109	G22-Y43 CarbonylContact O-C 3.51Å; G22-Y43 WeakPolarHBondContact O-CA 3.45Å; Y43-T45 HydrophobicContact CD2-CG2 3.99Å; Y43-T45 HydrophobicContact CE2-CG2 4.2Å; Y43-F48 HydrophobicContact CD2-CD2 4.47Å; Y43-F48 HydrophobicContact CE1-CE2 4.33Å; Y43-F48 AromaticContact CE2-CD2 3.55Å; Y43-F48 HydrophobicContact CE2-CD2 3.55Å; Y43-F48 AromaticContact CE2-CE2 3.89Å; Y43-F48 HydrophobicContact CE2-CE2 3.89Å; Y43-F48 AromaticContact CZ-CD2 3.74Å; Y43-F48 AromaticContact CZ-CE2 3.6Å; Y43-F48 WeakPolarHBondContact OH-CE2 3.46Å; Y43-L51 HydrophobicContact CD1-CD1 3.78Å; Y43-L51 HydrophobicContact CE1-CD1 3.67Å; Y43-L83 HydrophobicContact CE1-CD1 4.05Å; Y43-L83 WeakPolarHBondContact OH-CD1 3.08Å; Y43-R85 WeakPolarHBondContact OH-CA 3.2Å; Y43-G88 WeakPolarHBondContact CD1-O 3.34Å; Y43-G88 PolarHBondContact N-O 2.92Å; Y43-G88 WeakPolarHBondContact O-CA 3.45Å; Y43-V109 HydrophobicContact CD1-CG2 3.95Å; Y43-V109 HydrophobicContact CD2-CG1 4.14Å; Y43-V109 HydrophobicContact CD2-CG2 4.12Å; Y43-V109 HydrophobicContact CG-CG2 3.66Å
44	S	90.8	Very high	92.6	Very high	92 Å²	92	49.9 Å²	49.9	64%	0.643	29%	0.291	S	S	*	.			trans	-124.3	112	171.8	-174.9	0	0	0	0	108.7	G22	G22-S44 PolarHBondContact O-N 2.86Å
45	T	84.7	Confident	92.8	Very high	65 Å²	65	48 Å²	48	40%	0.399	27%	0.267	S	S	.	.			trans	-140.8	145.7	178	-176.4	0	0	0	0	110.3	Y43 G47 F48 V109	Y43-T45 HydrophobicContact CD2-CG2 3.99Å; Y43-T45 HydrophobicContact CE2-CG2 4.2Å; T45-G47 VanDerWaalsContact C-N 3.35Å; T45-G47 WeakPolarHBondContact CG2-O 3.3Å; T45-G47 PolarHBondContact OG1-N 2.92Å; T45-G47 PolarHBondContact OG1-O 3.06Å; T45-F48 HydrophobicContact CG2-CB 4.23Å; T45-F48 HydrophobicContact CG2-CD2 4.48Å; T45-V109 HydrophobicContact CG2-CG1 3.88Å
46	S	82.1	Confident	92.8	Very high	141 Å²	141	48.2 Å²	48.2	99%	0.986	26%	0.264	S	S	*	.	S	Bend	trans	-80.7	-15.5	175.5	54.7	0	0	0	0	113.4
47	G	83.6	Confident	92.7	Very high	31 Å²	31	46.6 Å²	46.6	32%	0.32	25%	0.254	S	S	.	.	S	Bend	trans	-140.8	121.6	174.5	0	0	0	0	0	109.5	T45	T45-G47 VanDerWaalsContact C-N 3.35Å; T45-G47 WeakPolarHBondContact CG2-O 3.3Å; T45-G47 PolarHBondContact OG1-N 2.92Å; T45-G47 PolarHBondContact OG1-O 3.06Å
48	F	89.4	Confident	92.5	Very high	48 Å²	48	55.9 Å²	55.9	21%	0.211	30%	0.297	C	S	.	.			trans	-103.1	108.8	176.5	-178.1	-91.3	0	0	0	109.8	Y43 T45 G50 L51 L83 R85 V109	Y43-F48 HydrophobicContact CD2-CD2 4.47Å; Y43-F48 HydrophobicContact CE1-CE2 4.33Å; Y43-F48 AromaticContact CE2-CD2 3.55Å; Y43-F48 HydrophobicContact CE2-CD2 3.55Å; Y43-F48 AromaticContact CE2-CE2 3.89Å; Y43-F48 HydrophobicContact CE2-CE2 3.89Å; Y43-F48 AromaticContact CZ-CD2 3.74Å; Y43-F48 AromaticContact CZ-CE2 3.6Å; Y43-F48 WeakPolarHBondContact OH-CE2 3.46Å; T45-F48 HydrophobicContact CG2-CB 4.23Å; T45-F48 HydrophobicContact CG2-CD2 4.48Å; F48-G50 VanDerWaalsContact CZ-CA 3.45Å; F48-L51 HydrophobicContact CE2-CB 4Å; F48-L51 HydrophobicContact CZ-CB 4.05Å; F48-L83 HydrophobicContact CE1-CD2 3.76Å; F48-L83 HydrophobicContact CE2-CD1 4.12Å; F48-L83 HydrophobicContact CE2-CD2 4.47Å; F48-L83 HydrophobicContact CZ-CD1 3.83Å; F48-L83 HydrophobicContact CZ-CD2 3.44Å; F48-L83 VanDerWaalsContact CZ-CD2 3.44Å; F48-L83 HydrophobicContact CZ-CG 4.25Å; F48-R85 HydrophobicContact CD1-CG 3.8Å; F48-R85 HydrophobicContact CE1-CG 3.77Å; F48-R85 HydrophobicContact CG-CG 4.24Å; F48-R85 HydrophobicContact CZ-CG 4.2Å; F48-V109 HydrophobicContact CD2-CG1 3.94Å; F48-V109 HydrophobicContact CE2-CG1 4.19Å
49	N	90.5	Very high	92.3	Very high	106 Å²	106	54.5 Å²	54.5	57%	0.567	32%	0.32	S	S	*	.			trans	-107.2	1.2	175	-60.4	-56.2	0	0	0	112.4	Y67 R110	N49-Y67 PolarHBondContact O-OH 3.28Å; N49-R110 WeakPolarHBondContact CA-O 3.37Å; N49-R110 HydrophobicContact CB-CB 4.2Å; N49-R110 PolarHBondContact N-O 3.27Å; N49-R110 PolarHBondContact ND2-OXT 3.07Å
50	G	93.6	Very high	92.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.343	C	S	.	.			trans	135.5	164.5	173.2	0	0	0	0	0	112.9	F48 V68 R110	F48-G50 VanDerWaalsContact CZ-CA 3.45Å; G50-V68 WeakPolarHBondContact CA-O 3.35Å; G50-R110 PolarHBondContact O-N 3.11Å
51	L	95.4	Very high	92.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135	179.9	-174.4	154.4	0	0	0	109.6	Y43 F48 W53 Y67 V68 L83 A108 V109	Y43-L51 HydrophobicContact CD1-CD1 3.78Å; Y43-L51 HydrophobicContact CE1-CD1 3.67Å; F48-L51 HydrophobicContact CE2-CB 4Å; F48-L51 HydrophobicContact CZ-CB 4.05Å; L51-W53 VanDerWaalsContact CD2-CD1 3.44Å; L51-W53 HydrophobicContact CD2-CG 4.3Å; L51-Y67 WeakPolarHBondContact O-CA 2.92Å; L51-Y67 WeakPolarHBondContact O-CD2 3.4Å; L51-V68 HydrophobicContact CB-CG2 4.05Å; L51-V68 HydrophobicContact CD2-CG2 4.22Å; L51-V68 PolarHBondContact N-O 2.7Å; L51-V68 PolarHBondContact O-N 3.42Å; L51-L83 HydrophobicContact CB-CD1 4.36Å; L51-L83 HydrophobicContact CD1-CD1 4.17Å; L51-A108 CarbonylContact C-O 3.54Å; L51-A108 WeakPolarHBondContact CA-O 3.32Å; L51-V109 HydrophobicContact CD1-CG2 3.91Å; L51-V109 HydrophobicContact CG-CG2 4.14Å
52	S	95.5	Very high	92.1	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.1	177.8	-48.7	0	0	0	0	110.8	Y54 S66 Y67 A108	S52-Y54 VanDerWaalsContact CB-CE2 3.49Å; S52-S66 CarbonylContact C-O 3.54Å; S52-S66 VanDerWaalsContact CA-O 3.24Å; S52-S66 WeakPolarHBondContact CA-O 3.35Å; S52-Y67 WeakPolarHBondContact OG-CD2 3.43Å; S52-A108 PolarHBondContact N-O 3.19Å; S52-A108 PolarHBondContact O-N 2.82Å
53	W	96.5	Very high	92.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.9	169.6	-75.2	95	0	0	0	110.9	Q25 V39 C41 L51 L65 S66 T81 S90 L92 L106 C107	Q25-W53 VanDerWaalsContact NE2-CZ3 3.35Å; V39-W53 HydrophobicContact CB-CH2 4.24Å; V39-W53 HydrophobicContact CB-CZ3 4.16Å; V39-W53 HydrophobicContact CG1-CH2 3.93Å; V39-W53 HydrophobicContact CG1-CZ3 3.72Å; V39-W53 VanDerWaalsContact O-CH2 3.31Å; V39-W53 WeakPolarHBondContact O-CH2 3.44Å; C41-W53 HydrophobicContact CB-CH2 3.64Å; C41-W53 HydrophobicContact CB-CZ2 3.62Å; L51-W53 VanDerWaalsContact CD2-CD1 3.44Å; L51-W53 HydrophobicContact CD2-CG 4.3Å; W53-L65 HydrophobicContact CB-CB 4.24Å; W53-L65 WeakPolarHBondContact O-CB 3.41Å; W53-L65 PolarHBondContact O-N 2.91Å; W53-S66 PolarHBondContact N-O 3.28Å; W53-S66 PolarHBondContact O-N 2.95Å; W53-T81 VanDerWaalsContact CD1-CG2 3.48Å; W53-S90 PolarHBondContact NE1-OG 2.83Å; W53-L92 HydrophobicContact CB-CD1 4.24Å; W53-L92 HydrophobicContact CD2-CB 3.69Å; W53-L92 HydrophobicContact CD2-CD1 4.4Å; W53-L92 HydrophobicContact CD2-CD2 4.28Å; W53-L92 HydrophobicContact CD2-CG 4.35Å; W53-L92 HydrophobicContact CE3-CB 3.8Å; W53-L92 HydrophobicContact CE3-CD2 4Å; W53-L92 HydrophobicContact CE3-CG 4.45Å; W53-L92 HydrophobicContact CG-CB 4.25Å; W53-L92 HydrophobicContact CG-CD1 4.08Å; W53-L92 HydrophobicContact CH2-CB 4.05Å; W53-L92 HydrophobicContact CZ2-CB 3.98Å; W53-L92 HydrophobicContact CZ3-CB 3.97Å; W53-L106 CarbonylContact C-O 3.29Å; W53-L106 WeakPolarHBondContact CA-O 3.43Å; W53-C107 HydrophobicContact CE3-CB 4.25Å; W53-C107 HydrophobicContact CH2-CB 4.04Å; W53-C107 HydrophobicContact CZ2-CB 4.29Å; W53-C107 HydrophobicContact CZ3-CB 4.02Å
54	Y	95.4	Very high	92.3	Very high	55 Å²	55	68.8 Å²	68.8	22%	0.216	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.7	176.7	-59.5	-94.3	0	0	0	111	S52 P62 V63 F64 Y105 L106 A108	S52-Y54 VanDerWaalsContact CB-CE2 3.49Å; Y54-P62 HydrophobicContact CD1-CB 4.26Å; Y54-P62 HydrophobicContact CG-CB 4.36Å; Y54-V63 CarbonylContact C-O 3.48Å; Y54-V63 WeakPolarHBondContact CA-O 3.32Å; Y54-F64 HydrophobicContact CD1-CB 4.16Å; Y54-F64 HydrophobicContact CE1-CB 4Å; Y54-F64 AromaticContact CE1-CD2 3.99Å; Y54-F64 HydrophobicContact CE1-CD2 3.99Å; Y54-Y105 CarbonylContact O-C 3.57Å; Y54-Y105 WeakPolarHBondContact O-CA 3.5Å; Y54-L106 PolarHBondContact N-O 2.92Å; Y54-L106 PolarHBondContact O-N 2.81Å; Y54-A108 HydrophobicContact CE2-CB 4.19Å
55	Q	95.2	Very high	92.5	Very high	20 Å²	20	66 Å²	66	9%	0.093	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130	166.1	-174.5	-177	62.6	0	0	108.8	P62 V63 L65 A103 S104 Y105	Q55-P62 CarbonylContact O-C 3.59Å; Q55-V63 PolarHBondContact N-O 3.17Å; Q55-V63 PolarHBondContact O-N 3.28Å; Q55-L65 HydrophobicContact CB-CD1 3.98Å; Q55-L65 HydrophobicContact CB-CD2 3.91Å; Q55-L65 HydrophobicContact CB-CG 4.04Å; Q55-A103 HydrophobicContact CG-CB 3.56Å; Q55-S104 CarbonylContact C-O 3.56Å; Q55-S104 WeakPolarHBondContact CA-O 2.86Å; Q55-Y105 HydrophobicContact CB-CD1 4.47Å; Q55-Y105 HydrophobicContact CB-CE1 4.16Å; Q55-Y105 HydrophobicContact CG-CE1 3.94Å; Q55-Y105 PolarHBondContact NE2-OH 3.19Å
56	Q	94.8	Very high	93	Very high	64 Å²	64	63 Å²	63	30%	0.299	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	110.3	173.3	-176.4	-179.5	26.8	0	0	109.5	Q60 P62 S104 L106	Q56-Q60 WeakPolarHBondContact CG-O 3.35Å; Q56-Q60 PolarHBondContact NE2-O 3.27Å; Q56-Q60 VanDerWaalsContact NE2-O 3.17Å; Q56-P62 HydrophobicContact CB-CB 4.39Å; Q56-P62 HydrophobicContact CB-CG 4.31Å; Q56-P62 HydrophobicContact CG-CG 4.26Å; Q56-S104 PolarHBondContact N-O 2.97Å; Q56-S104 WeakPolarHBondContact O-CB 3.46Å; Q56-S104 PolarHBondContact O-N 3.23Å; Q56-L106 HydrophobicContact CB-CD1 4.21Å
57	R	93.2	Very high	93.6	Very high	95 Å²	95	60.4 Å²	60.4	36%	0.358	33%	0.332	S	S	.	.			trans	-78.1	154.3	169.3	-66.6	178.2	178.1	175.1	-0.9	109.8	G59 Q60 K100 A103	R57-G59 PolarHBondContact O-N 2.78Å; R57-Q60 HydrophobicContact CB-CB 4.21Å; R57-Q60 HydrophobicContact CB-CG 4.2Å; R57-Q60 PolarHBondContact O-N 3.21Å; R57-K100 PolarHBondContact NH2-O 2.82Å; R57-K100 VanDerWaalsContact NH2-O 3.08Å; R57-A103 HydrophobicContact CG-CB 4.04Å
58	E	89.3	Confident	94.2	Very high	196 Å²	196	59.4 Å²	59.4	92%	0.916	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.9	179.1	-169.1	174.5	-177.1	0	0	111	Q60	E58-Q60 PolarHBondContact O-N 2.88Å
59	G	92	Very high	94.5	Very high	90 Å²	90	59.8 Å²	59.8	93%	0.928	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	3.1	-177.4	0	0	0	0	0	115.7	R57	R57-G59 PolarHBondContact O-N 2.78Å
60	Q	94.4	Very high	94.7	Very high	106 Å²	106	60.9 Å²	60.9	50%	0.495	33%	0.331	S	S	.	.	S	Bend	trans	-110.4	158.5	179.8	-59.9	-170.7	-10.3	0	0	112.1	Q56 R57 E58	Q56-Q60 WeakPolarHBondContact CG-O 3.35Å; Q56-Q60 PolarHBondContact NE2-O 3.27Å; Q56-Q60 VanDerWaalsContact NE2-O 3.17Å; R57-Q60 HydrophobicContact CB-CB 4.21Å; R57-Q60 HydrophobicContact CB-CG 4.2Å; R57-Q60 PolarHBondContact O-N 3.21Å; E58-Q60 PolarHBondContact O-N 2.88Å
61	A	94.3	Very high	94.9	Very high	74 Å²	74	64.5 Å²	64.5	61%	0.612	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-70.8	150.4	171.3	0	0	0	0	0	110.7	V63	A61-V63 PolarHBondContact O-N 2.85Å
62	P	95.6	Very high	95	Very high	66 Å²	66	65.9 Å²	65.9	43%	0.429	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-58.9	128.9	172.9	-23.2	33.6	0	0	0	112.1	Y54 Q55 Q56 L106	Y54-P62 HydrophobicContact CD1-CB 4.26Å; Y54-P62 HydrophobicContact CG-CB 4.36Å; Q55-P62 CarbonylContact O-C 3.59Å; Q56-P62 HydrophobicContact CB-CB 4.39Å; Q56-P62 HydrophobicContact CB-CG 4.31Å; Q56-P62 HydrophobicContact CG-CG 4.26Å; P62-L106 HydrophobicContact CB-CD1 4.32Å; P62-L106 HydrophobicContact CG-CD1 4.1Å
63	V	96.1	Very high	95.1	Very high	80 Å²	80	70.6 Å²	70.6	49%	0.485	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	176.2	-179.8	0	0	0	0	108.9	Y54 Q55 A61	Y54-V63 CarbonylContact C-O 3.48Å; Y54-V63 WeakPolarHBondContact CA-O 3.32Å; Q55-V63 PolarHBondContact N-O 3.17Å; Q55-V63 PolarHBondContact O-N 3.28Å; A61-V63 PolarHBondContact O-N 2.85Å
64	F	95.3	Very high	95.1	Very high	113 Å²	113	75.4 Å²	75.4	50%	0.496	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.9	178.2	174.8	-101.5	0	0	0	111.8	Y54 S66	Y54-F64 HydrophobicContact CD1-CB 4.16Å; Y54-F64 HydrophobicContact CE1-CB 4Å; Y54-F64 AromaticContact CE1-CD2 3.99Å; Y54-F64 HydrophobicContact CE1-CD2 3.99Å; F64-S66 WeakPolarHBondContact CE2-O 3.24Å
65	L	95	Very high	95	Very high	33 Å²	33	78.2 Å²	78.2	17%	0.173	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-54	175.6	-62	-179	0	0	0	111.7	W53 Q55 F79 L92 Y105	W53-L65 HydrophobicContact CB-CB 4.24Å; W53-L65 WeakPolarHBondContact O-CB 3.41Å; W53-L65 PolarHBondContact O-N 2.91Å; Q55-L65 HydrophobicContact CB-CD1 3.98Å; Q55-L65 HydrophobicContact CB-CD2 3.91Å; Q55-L65 HydrophobicContact CB-CG 4.04Å; L65-F79 HydrophobicContact CD1-CD1 4.08Å; L65-F79 HydrophobicContact CD1-CE1 4.05Å; L65-F79 HydrophobicContact CD1-CG 4.49Å; L65-F79 HydrophobicContact CD1-CZ 4.41Å; L65-F79 HydrophobicContact CD2-CD2 4.11Å; L65-F79 HydrophobicContact CD2-CE1 4.4Å; L65-F79 HydrophobicContact CD2-CE2 3.78Å; L65-F79 HydrophobicContact CD2-CZ 3.95Å; L65-L92 HydrophobicContact CD1-CD2 3.61Å; L65-Y105 HydrophobicContact CD1-CD1 3.94Å; L65-Y105 HydrophobicContact CD1-CE1 4.03Å
66	S	95.6	Very high	94.6	Very high	3 Å²	3	80.4 Å²	80.4	2%	0.021	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.3	-172.5	80.9	0	0	0	0	112.4	S52 W53 F64 T81	S52-S66 CarbonylContact C-O 3.54Å; S52-S66 VanDerWaalsContact CA-O 3.24Å; S52-S66 WeakPolarHBondContact CA-O 3.35Å; W53-S66 PolarHBondContact N-O 3.28Å; W53-S66 PolarHBondContact O-N 2.95Å; F64-S66 WeakPolarHBondContact CE2-O 3.24Å; S66-T81 WeakPolarHBondContact CB-OG1 3.37Å; S66-T81 PolarHBondContact OG-OG1 2.92Å
67	Y	94.8	Very high	94.3	Very high	85 Å²	85	79.7 Å²	79.7	33%	0.333	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.8	170.2	177.1	-112.4	0	0	0	108.9	N49 L51 S52 V69 K74	N49-Y67 PolarHBondContact O-OH 3.28Å; L51-Y67 WeakPolarHBondContact O-CA 2.92Å; L51-Y67 WeakPolarHBondContact O-CD2 3.4Å; S52-Y67 WeakPolarHBondContact OG-CD2 3.43Å; Y67-V69 HydrophobicContact CD1-CG2 4.2Å; Y67-V69 HydrophobicContact CE1-CG2 3.38Å; Y67-V69 HydrophobicContact CE2-CG2 4.3Å; Y67-V69 VanDerWaalsContact CZ-CG2 3.44Å; Y67-V69 WeakPolarHBondContact OH-CG2 3.38Å; Y67-K74 PolarHBondContact O-NZ 2.92Å
68	V	95.7	Very high	94.3	Very high	10 Å²	10	77.8 Å²	77.8	6%	0.061	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.6	-177.4	-69.6	0	0	0	0	110.9	G50 L51 K74 T81 L83	G50-V68 WeakPolarHBondContact CA-O 3.35Å; L51-V68 HydrophobicContact CB-CG2 4.05Å; L51-V68 HydrophobicContact CD2-CG2 4.22Å; L51-V68 PolarHBondContact N-O 2.7Å; L51-V68 PolarHBondContact O-N 3.42Å; V68-K74 HydrophobicContact CG1-CB 3.93Å; V68-K74 HydrophobicContact CG1-CD 3.76Å; V68-K74 HydrophobicContact CG1-CG 4.5Å; V68-T81 HydrophobicContact CB-CG2 4.43Å; V68-T81 HydrophobicContact CG1-CG2 3.76Å; V68-T81 HydrophobicContact CG2-CG2 3.75Å; V68-L83 HydrophobicContact CB-CB 4.39Å; V68-L83 HydrophobicContact CB-CD2 4.25Å; V68-L83 HydrophobicContact CG2-CB 4Å; V68-L83 HydrophobicContact CG2-CD1 4.42Å; V68-L83 HydrophobicContact CG2-CD2 4.04Å; V68-L83 HydrophobicContact CG2-CG 4.38Å
69	V	95.7	Very high	94.6	Very high	56 Å²	56	70 Å²	70	34%	0.339	41%	0.414	S	S	.	.			trans	-128.3	-31.8	-179.9	-174.6	0	0	0	0	111.6	Y67 R85	Y67-V69 HydrophobicContact CD1-CG2 4.2Å; Y67-V69 HydrophobicContact CE1-CG2 3.38Å; Y67-V69 HydrophobicContact CE2-CG2 4.3Å; Y67-V69 VanDerWaalsContact CZ-CG2 3.44Å; Y67-V69 WeakPolarHBondContact OH-CG2 3.38Å; V69-R85 WeakPolarHBondContact O-CD 3.37Å
70	L	96.1	Very high	94.8	Very high	130 Å²	130	66 Å²	66	68%	0.681	37%	0.372	S	S	*	.	S	Bend	trans	-98.7	148.3	179	-58.6	179.4	0	0	0	110.3
71	D	97.5	Very high	95	Very high	76 Å²	76	61 Å²	61	41%	0.406	35%	0.349	S	S	.	.	S	Bend	trans	-62.5	152.5	175.4	-60	-47.3	0	0	0	111.4	L83 S84 R85	D71-L83 WeakPolarHBondContact CA-O 3.44Å; D71-S84 WeakPolarHBondContact OD1-CA 3.45Å; D71-R85 VanDerWaalsContact CG-NE 3.31Å; D71-R85 WeakPolarHBondContact OD1-CB 3.09Å; D71-R85 VanDerWaalsContact OD1-CG 3.28Å; D71-R85 WeakPolarHBondContact OD1-CG 3.11Å; D71-R85 PolarHBondContact OD1-N 2.05Å; D71-R85 IonicContact OD1-NE 3.31Å; D71-R85 PolarHBondContact OD1-NE 3.17Å; D71-R85 VanDerWaalsContact OD1-NE 3.12Å; D71-R85 IonicContact OD2-CZ 3.75Å; D71-R85 VanDerWaalsContact OD2-CZ 3.31Å; D71-R85 IonicContact OD2-NE 3.23Å; D71-R85 PolarHBondContact OD2-NE 3.03Å; D71-R85 IonicContact OD2-NH2 2.97Å; D71-R85 PolarHBondContact OD2-NH2 2.64Å
72	G	97.6	Very high	95.1	Very high	28 Å²	28	60.1 Å²	60.1	29%	0.289	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	113	-172.7	177.9	0	0	0	0	0	113.3	F82 L83	G72-F82 WeakPolarHBondContact O-CA 3.21Å; G72-L83 PolarHBondContact N-O 2.93Å; G72-L83 PolarHBondContact O-N 2.7Å
73	L	97.3	Very high	95.3	Very high	103 Å²	103	57 Å²	57	54%	0.539	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.9	-178.4	-172.9	69.8	0	0	0	110	F82	L73-F82 HydrophobicContact CB-CD2 4.45Å; L73-F82 HydrophobicContact CD1-CB 4.06Å
74	K	96.1	Very high	95.3	Very high	101 Å²	101	53.8 Å²	53.8	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.3	167.1	179.4	175	176	173.9	0	108.4	Y67 V68 S80 T81	Y67-K74 PolarHBondContact O-NZ 2.92Å; V68-K74 HydrophobicContact CG1-CB 3.93Å; V68-K74 HydrophobicContact CG1-CD 3.76Å; V68-K74 HydrophobicContact CG1-CG 4.5Å; K74-S80 CarbonylContact O-C 3.54Å; K74-S80 WeakPolarHBondContact O-CA 3.08Å; K74-T81 PolarHBondContact N-O 2.8Å; K74-T81 PolarHBondContact O-N 2.75Å
75	D	93.4	Very high	95.3	Very high	114 Å²	114	53.6 Å²	53.6	61%	0.61	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	136	174.5	-168.2	4.5	0	0	0	110.6	G77 S80	D75-G77 PolarHBondContact OD1-N 2.84Å; D75-S80 WeakPolarHBondContact CA-OG 3.35Å; D75-S80 PolarHBondContact OD1-OG 2.88Å
76	S	86.3	Confident	95.2	Very high	66 Å²	66	57 Å²	57	46%	0.462	32%	0.315	S	S	.	.			trans	-136.7	28.5	174.8	47.3	0	0	0	0	111.8	F79	S76-F79 CarbonylContact C-O 3.6Å; S76-F79 VanDerWaalsContact C-O 3.29Å; S76-F79 VanDerWaalsContact CA-O 3.3Å; S76-F79 WeakPolarHBondContact CA-O 3.18Å; S76-F79 WeakPolarHBondContact CB-O 3.41Å; S76-F79 PolarHBondContact N-O 2.83Å; S76-F79 PolarHBondContact OG-O 2.88Å
77	G	89.2	Confident	95.1	Very high	48 Å²	48	62.6 Å²	62.6	50%	0.495	34%	0.344	S	S	.	.	S	Bend	trans	85	-112.7	178	0	0	0	0	0	111.3	D75 F79	D75-G77 PolarHBondContact OD1-N 2.84Å; G77-F79 PolarHBondContact O-N 2.84Å
78	H	93	Very high	95.1	Very high	55 Å²	55	59.1 Å²	59.1	26%	0.255	33%	0.334	S	S	.	.	S	Bend	trans	-54.5	-31.7	-178.9	-168.8	59.4	0	0	0	112.8	L94 T95 D101	H78-L94 WeakPolarHBondContact O-CA 3.46Å; H78-T95 PolarHBondContact CE1-O 3.36Å; H78-T95 PolarHBondContact ND1-O 2.92Å; H78-T95 PolarHBondContact O-N 2.69Å; H78-D101 IonicContact CD2-OD1 3.12Å; H78-D101 IonicContact CE1-OD1 3.03Å; H78-D101 IonicContact CE1-OD2 3.88Å; H78-D101 PolarHBondContact CE1-OD2 3.39Å; H78-D101 VanDerWaalsContact CE1-OD2 3.23Å; H78-D101 IonicContact NE2-OD1 2.74Å; H78-D101 PolarHBondContact NE2-OD1 2.81Å; H78-D101 IonicContact NE2-OD2 2.9Å; H78-D101 PolarHBondContact NE2-OD2 2.77Å
79	F	94.9	Very high	95.2	Very high	32 Å²	32	61 Å²	61	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.4	175.8	-57.5	-75.5	0	0	0	110.9	L65 S76 G77 L92 L93 L94 Y105	L65-F79 HydrophobicContact CD1-CD1 4.08Å; L65-F79 HydrophobicContact CD1-CE1 4.05Å; L65-F79 HydrophobicContact CD1-CG 4.49Å; L65-F79 HydrophobicContact CD1-CZ 4.41Å; L65-F79 HydrophobicContact CD2-CD2 4.11Å; L65-F79 HydrophobicContact CD2-CE1 4.4Å; L65-F79 HydrophobicContact CD2-CE2 3.78Å; L65-F79 HydrophobicContact CD2-CZ 3.95Å; S76-F79 CarbonylContact C-O 3.6Å; S76-F79 VanDerWaalsContact C-O 3.29Å; S76-F79 VanDerWaalsContact CA-O 3.3Å; S76-F79 WeakPolarHBondContact CA-O 3.18Å; S76-F79 WeakPolarHBondContact CB-O 3.41Å; S76-F79 PolarHBondContact N-O 2.83Å; S76-F79 PolarHBondContact OG-O 2.88Å; G77-F79 PolarHBondContact O-N 2.84Å; F79-L92 HydrophobicContact CB-CD1 4.2Å; F79-L92 HydrophobicContact CD1-CD1 4.41Å; F79-L92 HydrophobicContact CD1-CD2 4.24Å; F79-L92 HydrophobicContact CD1-CG 4.45Å; F79-L93 CarbonylContact C-O 3.48Å; F79-L93 WeakPolarHBondContact CA-O 3.44Å; F79-L94 HydrophobicContact CD1-CD1 4.41Å; F79-L94 HydrophobicContact CD1-CD2 4.26Å; F79-L94 HydrophobicContact CD1-CG 3.76Å; F79-L94 HydrophobicContact CE1-CD2 3.68Å; F79-L94 HydrophobicContact CE1-CG 3.72Å; F79-Y105 AromaticContact CE1-CE1 3.87Å; F79-Y105 HydrophobicContact CE1-CE1 3.87Å
80	S	96.9	Very high	95.2	Very high	8 Å²	8	58.4 Å²	58.4	6%	0.056	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.2	171.8	-96.7	0	0	0	0	109	K74 D75 L92 L93	K74-S80 CarbonylContact O-C 3.54Å; K74-S80 WeakPolarHBondContact O-CA 3.08Å; D75-S80 WeakPolarHBondContact CA-OG 3.35Å; D75-S80 PolarHBondContact OD1-OG 2.88Å; S80-L92 CarbonylContact O-C 3.59Å; S80-L92 WeakPolarHBondContact O-CA 3.4Å; S80-L93 PolarHBondContact N-O 2.86Å; S80-L93 PolarHBondContact O-N 2.72Å
81	T	97.9	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.1	179.6	-60	0	0	0	0	110.5	W53 S66 V68 K74 Y91 L92	W53-T81 VanDerWaalsContact CD1-CG2 3.48Å; S66-T81 WeakPolarHBondContact CB-OG1 3.37Å; S66-T81 PolarHBondContact OG-OG1 2.92Å; V68-T81 HydrophobicContact CB-CG2 4.43Å; V68-T81 HydrophobicContact CG1-CG2 3.76Å; V68-T81 HydrophobicContact CG2-CG2 3.75Å; K74-T81 PolarHBondContact N-O 2.8Å; K74-T81 PolarHBondContact O-N 2.75Å; T81-Y91 WeakPolarHBondContact CA-O 3.48Å; T81-L92 WeakPolarHBondContact OG1-CD1 2.94Å
82	F	98.3	Very high	95.3	Very high	56 Å²	56	50.3 Å²	50.3	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.6	170.3	176.7	-96.2	0	0	0	110.9	G72 L73 Y89 S90 Y91	G72-F82 WeakPolarHBondContact O-CA 3.21Å; L73-F82 HydrophobicContact CB-CD2 4.45Å; L73-F82 HydrophobicContact CD1-CB 4.06Å; F82-Y89 HydrophobicContact CD1-CD1 4.35Å; F82-Y89 HydrophobicContact CD1-CE1 4.29Å; F82-Y89 HydrophobicContact CE1-CD1 4.22Å; F82-Y89 HydrophobicContact CE1-CE1 4.4Å; F82-S90 WeakPolarHBondContact O-CA 3.36Å; F82-S90 VanDerWaalsContact O-CB 3.27Å; F82-S90 WeakPolarHBondContact O-CB 3.16Å; F82-S90 PolarHBondContact O-OG 2.68Å; F82-Y91 HydrophobicContact CB-CD1 3.65Å; F82-Y91 HydrophobicContact CB-CD2 4.05Å; F82-Y91 HydrophobicContact CB-CE1 3.22Å; F82-Y91 HydrophobicContact CB-CE2 3.64Å; F82-Y91 HydrophobicContact CB-CG 4.05Å; F82-Y91 AromaticContact CD1-CD1 3.71Å; F82-Y91 HydrophobicContact CD1-CD1 3.71Å; F82-Y91 AromaticContact CD1-CE1 3.39Å; F82-Y91 HydrophobicContact CD1-CE1 3.39Å; F82-Y91 HydrophobicContact CD2-CE1 4.27Å; F82-Y91 HydrophobicContact CE1-CE1 4.31Å; F82-Y91 AromaticContact CG-CD1 3.99Å; F82-Y91 HydrophobicContact CG-CD1 3.99Å; F82-Y91 AromaticContact CG-CE1 3.36Å; F82-Y91 HydrophobicContact CG-CE1 3.36Å; F82-Y91 AromaticContact CG-CZ 3.71Å; F82-Y91 PolarHBondContact N-O 2.86Å; F82-Y91 PolarHBondContact O-N 2.91Å; F82-Y91 VanDerWaalsContact O-N 3.16Å
83	L	97.9	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.6	173.8	-177.1	66.4	0	0	0	111.2	Y43 F48 L51 V68 D71 G72 R85	Y43-L83 HydrophobicContact CE1-CD1 4.05Å; Y43-L83 WeakPolarHBondContact OH-CD1 3.08Å; F48-L83 HydrophobicContact CE1-CD2 3.76Å; F48-L83 HydrophobicContact CE2-CD1 4.12Å; F48-L83 HydrophobicContact CE2-CD2 4.47Å; F48-L83 HydrophobicContact CZ-CD1 3.83Å; F48-L83 HydrophobicContact CZ-CD2 3.44Å; F48-L83 VanDerWaalsContact CZ-CD2 3.44Å; F48-L83 HydrophobicContact CZ-CG 4.25Å; L51-L83 HydrophobicContact CB-CD1 4.36Å; L51-L83 HydrophobicContact CD1-CD1 4.17Å; V68-L83 HydrophobicContact CB-CB 4.39Å; V68-L83 HydrophobicContact CB-CD2 4.25Å; V68-L83 HydrophobicContact CG2-CB 4Å; V68-L83 HydrophobicContact CG2-CD1 4.42Å; V68-L83 HydrophobicContact CG2-CD2 4.04Å; V68-L83 HydrophobicContact CG2-CG 4.38Å; D71-L83 WeakPolarHBondContact CA-O 3.44Å; G72-L83 PolarHBondContact N-O 2.93Å; G72-L83 PolarHBondContact O-N 2.7Å; L83-R85 HydrophobicContact CD2-CG 3.99Å; L83-R85 HydrophobicContact CG-CG 4.18Å
84	S	97.1	Very high	95.3	Very high	13 Å²	13	45.6 Å²	45.6	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	102.8	165.6	176	0	0	0	0	109.4	D71 S86 N87 G88 Y89	D71-S84 WeakPolarHBondContact OD1-CA 3.45Å; S84-S86 PolarHBondContact OG-OG 3.34Å; S84-N87 PolarHBondContact O-N 2.98Å; S84-N87 WeakPolarHBondContact OG-CB 2.98Å; S84-N87 PolarHBondContact OG-ND2 2.89Å; S84-G88 PolarHBondContact O-N 2.81Å; S84-Y89 PolarHBondContact N-O 2.89Å; S84-Y89 PolarHBondContact O-N 2.92Å
85	R	94.4	Very high	95.2	Very high	109 Å²	109	43.1 Å²	43.1	41%	0.411	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-40.6	179.5	-68.6	173	-64.3	169.3	4.7	112.4	Y43 F48 V69 D71 L83 N87 G88	Y43-R85 WeakPolarHBondContact OH-CA 3.2Å; F48-R85 HydrophobicContact CD1-CG 3.8Å; F48-R85 HydrophobicContact CE1-CG 3.77Å; F48-R85 HydrophobicContact CG-CG 4.24Å; F48-R85 HydrophobicContact CZ-CG 4.2Å; V69-R85 WeakPolarHBondContact O-CD 3.37Å; D71-R85 VanDerWaalsContact CG-NE 3.31Å; D71-R85 WeakPolarHBondContact OD1-CB 3.09Å; D71-R85 VanDerWaalsContact OD1-CG 3.28Å; D71-R85 WeakPolarHBondContact OD1-CG 3.11Å; D71-R85 PolarHBondContact OD1-N 2.05Å; D71-R85 IonicContact OD1-NE 3.31Å; D71-R85 PolarHBondContact OD1-NE 3.17Å; D71-R85 VanDerWaalsContact OD1-NE 3.12Å; D71-R85 IonicContact OD2-CZ 3.75Å; D71-R85 VanDerWaalsContact OD2-CZ 3.31Å; D71-R85 IonicContact OD2-NE 3.23Å; D71-R85 PolarHBondContact OD2-NE 3.03Å; D71-R85 IonicContact OD2-NH2 2.97Å; D71-R85 PolarHBondContact OD2-NH2 2.64Å; L83-R85 HydrophobicContact CD2-CG 3.99Å; L83-R85 HydrophobicContact CG-CG 4.18Å; R85-N87 PolarHBondContact O-N 3.19Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.11Å
86	S	93.1	Very high	95.3	Very high	105 Å²	105	44.5 Å²	44.5	73%	0.734	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.4	177.9	61.9	0	0	0	0	112.6	S84	S84-S86 PolarHBondContact OG-OG 3.34Å
87	N	94.8	Very high	95.7	Very high	119 Å²	119	41.4 Å²	41.4	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	0.7	-177.5	-59.6	-14.4	0	0	0	112.6	S84 R85 Y89	S84-N87 PolarHBondContact O-N 2.98Å; S84-N87 WeakPolarHBondContact OG-CB 2.98Å; S84-N87 PolarHBondContact OG-ND2 2.89Å; R85-N87 PolarHBondContact O-N 3.19Å; N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 PolarHBondContact O-N 3.16Å
88	G	94.8	Very high	95.9	Very high	12 Å²	12	42.8 Å²	42.8	12%	0.124	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	44	-173.4	0	0	0	0	0	111.9	T42 Y43 S84 R85	T42-G88 CarbonylContact C-O 3.49Å; T42-G88 VanDerWaalsContact CA-O 3.32Å; T42-G88 WeakPolarHBondContact CA-O 3.34Å; Y43-G88 WeakPolarHBondContact CD1-O 3.34Å; Y43-G88 PolarHBondContact N-O 2.92Å; Y43-G88 WeakPolarHBondContact O-CA 3.45Å; S84-G88 PolarHBondContact O-N 2.81Å; R85-G88 PolarHBondContact O-N 3.14Å; R85-G88 VanDerWaalsContact O-N 3.11Å
89	Y	96.3	Very high	95.7	Very high	51 Å²	51	44.9 Å²	44.9	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.6	-167.5	176.4	-112.1	0	0	0	112.7	N40 C41 T42 F82 S84 N87 Y91	N40-Y89 HydrophobicContact CB-CE2 4.13Å; N40-Y89 PolarHBondContact OD1-OH 2.97Å; C41-Y89 WeakPolarHBondContact O-CA 3.44Å; C41-Y89 WeakPolarHBondContact O-CD2 3.27Å; T42-Y89 HydrophobicContact CG2-CD2 3.87Å; F82-Y89 HydrophobicContact CD1-CD1 4.35Å; F82-Y89 HydrophobicContact CD1-CE1 4.29Å; F82-Y89 HydrophobicContact CE1-CD1 4.22Å; F82-Y89 HydrophobicContact CE1-CE1 4.4Å; S84-Y89 PolarHBondContact N-O 2.89Å; S84-Y89 PolarHBondContact O-N 2.92Å; N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 PolarHBondContact O-N 3.16Å; Y89-Y91 AromaticContact CE1-CD1 3.72Å; Y89-Y91 HydrophobicContact CE1-CD1 3.72Å; Y89-Y91 HydrophobicContact CE1-CE1 4.41Å; Y89-Y91 AromaticContact CZ-CD1 3.88Å; Y89-Y91 WeakPolarHBondContact OH-CD1 3.31Å
90	S	97.4	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.8	170.4	-178.1	0	0	0	0	110.4	C41 W53 F82	C41-S90 PolarHBondContact N-O 2.91Å; C41-S90 PolarHBondContact O-N 2.92Å; W53-S90 PolarHBondContact NE1-OG 2.83Å; F82-S90 WeakPolarHBondContact O-CA 3.36Å; F82-S90 VanDerWaalsContact O-CB 3.27Å; F82-S90 WeakPolarHBondContact O-CB 3.16Å; F82-S90 PolarHBondContact O-OG 2.68Å
91	Y	97.6	Very high	95.3	Very high	36 Å²	36	48.6 Å²	48.6	14%	0.141	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.3	163.7	65.6	-101	0	0	0	111.3	R38 V39 T81 F82 Y89 L93	R38-Y91 HydrophobicContact CG-CD2 3.85Å; R38-Y91 HydrophobicContact CG-CG 3.86Å; V39-Y91 CarbonylContact O-C 3.58Å; V39-Y91 WeakPolarHBondContact O-CA 3.18Å; V39-Y91 WeakPolarHBondContact O-CB 3.47Å; T81-Y91 WeakPolarHBondContact CA-O 3.48Å; F82-Y91 HydrophobicContact CB-CD1 3.65Å; F82-Y91 HydrophobicContact CB-CD2 4.05Å; F82-Y91 HydrophobicContact CB-CE1 3.22Å; F82-Y91 HydrophobicContact CB-CE2 3.64Å; F82-Y91 HydrophobicContact CB-CG 4.05Å; F82-Y91 AromaticContact CD1-CD1 3.71Å; F82-Y91 HydrophobicContact CD1-CD1 3.71Å; F82-Y91 AromaticContact CD1-CE1 3.39Å; F82-Y91 HydrophobicContact CD1-CE1 3.39Å; F82-Y91 HydrophobicContact CD2-CE1 4.27Å; F82-Y91 HydrophobicContact CE1-CE1 4.31Å; F82-Y91 AromaticContact CG-CD1 3.99Å; F82-Y91 HydrophobicContact CG-CD1 3.99Å; F82-Y91 AromaticContact CG-CE1 3.36Å; F82-Y91 HydrophobicContact CG-CE1 3.36Å; F82-Y91 AromaticContact CG-CZ 3.71Å; F82-Y91 PolarHBondContact N-O 2.86Å; F82-Y91 PolarHBondContact O-N 2.91Å; F82-Y91 VanDerWaalsContact O-N 3.16Å; Y89-Y91 AromaticContact CE1-CD1 3.72Å; Y89-Y91 HydrophobicContact CE1-CD1 3.72Å; Y89-Y91 HydrophobicContact CE1-CE1 4.41Å; Y89-Y91 AromaticContact CZ-CD1 3.88Å; Y89-Y91 WeakPolarHBondContact OH-CD1 3.31Å; Y91-L93 HydrophobicContact CD2-CB 4.15Å; Y91-L93 HydrophobicContact CE2-CB 4.03Å
92	L	97.6	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.7	165.1	-172.6	72.1	0	0	0	108.4	R38 V39 W53 L65 F79 S80 T81 L94 Y105	R38-L92 CarbonylContact C-O 3.6Å; R38-L92 WeakPolarHBondContact CA-O 3.24Å; V39-L92 HydrophobicContact CB-CB 4.37Å; V39-L92 PolarHBondContact N-O 2.94Å; V39-L92 PolarHBondContact O-N 3.25Å; W53-L92 HydrophobicContact CB-CD1 4.24Å; W53-L92 HydrophobicContact CD2-CB 3.69Å; W53-L92 HydrophobicContact CD2-CD1 4.4Å; W53-L92 HydrophobicContact CD2-CD2 4.28Å; W53-L92 HydrophobicContact CD2-CG 4.35Å; W53-L92 HydrophobicContact CE3-CB 3.8Å; W53-L92 HydrophobicContact CE3-CD2 4Å; W53-L92 HydrophobicContact CE3-CG 4.45Å; W53-L92 HydrophobicContact CG-CB 4.25Å; W53-L92 HydrophobicContact CG-CD1 4.08Å; W53-L92 HydrophobicContact CH2-CB 4.05Å; W53-L92 HydrophobicContact CZ2-CB 3.98Å; W53-L92 HydrophobicContact CZ3-CB 3.97Å; L65-L92 HydrophobicContact CD1-CD2 3.61Å; F79-L92 HydrophobicContact CB-CD1 4.2Å; F79-L92 HydrophobicContact CD1-CD1 4.41Å; F79-L92 HydrophobicContact CD1-CD2 4.24Å; F79-L92 HydrophobicContact CD1-CG 4.45Å; S80-L92 CarbonylContact O-C 3.59Å; S80-L92 WeakPolarHBondContact O-CA 3.4Å; T81-L92 WeakPolarHBondContact OG1-CD1 2.94Å; L92-L94 HydrophobicContact CD2-CD1 3.91Å; L92-L94 HydrophobicContact CG-CD1 3.96Å; L92-Y105 HydrophobicContact CD2-CD1 3.49Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.49Å; L92-Y105 HydrophobicContact CD2-CE1 4.11Å; L92-Y105 HydrophobicContact CD2-CG 4.34Å
93	L	97	Very high	94.9	Very high	33 Å²	33	48.9 Å²	48.9	17%	0.173	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.1	173.6	-179.4	70.2	0	0	0	108.6	F36 A37 R38 F79 S80 Y91 T95	F36-L93 HydrophobicContact CB-CD1 4.22Å; F36-L93 HydrophobicContact CD2-CD1 3.8Å; F36-L93 HydrophobicContact CG-CD1 4.37Å; A37-L93 WeakPolarHBondContact O-CA 3.01Å; R38-L93 HydrophobicContact CB-CD1 4.5Å; F79-L93 CarbonylContact C-O 3.48Å; F79-L93 WeakPolarHBondContact CA-O 3.44Å; S80-L93 PolarHBondContact N-O 2.86Å; S80-L93 PolarHBondContact O-N 2.72Å; Y91-L93 HydrophobicContact CD2-CB 4.15Å; Y91-L93 HydrophobicContact CE2-CB 4.03Å; L93-T95 HydrophobicContact CD2-CG2 4.27Å; L93-T95 HydrophobicContact CG-CG2 4.23Å
94	L	96.5	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.8	170	-66.3	79.3	0	0	0	107.3	F36 A37 V39 H78 F79 L92 L97 D101 Y105	F36-L94 CarbonylContact C-O 3.57Å; F36-L94 WeakPolarHBondContact CA-O 3.32Å; F36-L94 WeakPolarHBondContact CB-O 3.33Å; A37-L94 HydrophobicContact CB-CB 4.46Å; A37-L94 PolarHBondContact N-O 2.93Å; A37-L94 PolarHBondContact O-N 3.48Å; V39-L94 HydrophobicContact CG2-CD1 4.28Å; H78-L94 WeakPolarHBondContact O-CA 3.46Å; F79-L94 HydrophobicContact CD1-CD1 4.41Å; F79-L94 HydrophobicContact CD1-CD2 4.26Å; F79-L94 HydrophobicContact CD1-CG 3.76Å; F79-L94 HydrophobicContact CE1-CD2 3.68Å; F79-L94 HydrophobicContact CE1-CG 3.72Å; L92-L94 HydrophobicContact CD2-CD1 3.91Å; L92-L94 HydrophobicContact CG-CD1 3.96Å; L94-L97 HydrophobicContact CB-CD2 3.8Å; L94-L97 HydrophobicContact CD2-CD2 3.95Å; L94-D101 HydrophobicContact CD2-CB 4.3Å; L94-Y105 HydrophobicContact CD1-CE1 4.38Å; L94-Y105 HydrophobicContact CD2-CE1 3.79Å; L94-Y105 HydrophobicContact CD2-CE2 4.33Å; L94-Y105 VanDerWaalsContact CD2-OH 3.29Å; L94-Y105 WeakPolarHBondContact CD2-OH 3.25Å
95	T	95.1	Very high	94.7	Very high	48 Å²	48	49.2 Å²	49.2	29%	0.294	26%	0.255	S	S	.	.			trans	-113.3	160.5	176.3	57.5	0	0	0	0	110	H78 L93 L97	H78-T95 PolarHBondContact CE1-O 3.36Å; H78-T95 PolarHBondContact ND1-O 2.92Å; H78-T95 PolarHBondContact O-N 2.69Å; L93-T95 HydrophobicContact CD2-CG2 4.27Å; L93-T95 HydrophobicContact CG-CG2 4.23Å; T95-L97 VanDerWaalsContact C-N 3.28Å; T95-L97 PolarHBondContact O-N 3Å
96	E	94.9	Very high	94.7	Very high	143 Å²	143	45.2 Å²	45.2	67%	0.668	24%	0.242	S	C	*	.	S	Bend	trans	48.4	48.9	177.7	-60.2	179.1	-147	0	0	113.2	T35 Q98	T35-E96 PolarHBondContact O-N 2.74Å; E96-Q98 WeakPolarHBondContact O-CG 3.31Å; E96-Q98 PolarHBondContact O-N 3.03Å
97	L	95.1	Very high	94.8	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.209	C	C	.	.			trans	-50.2	135.6	-173.8	-77.7	170.9	0	0	0	112.2	S31 E33 G34 T35 A37 L94 T95 D101	S31-L97 VanDerWaalsContact CB-CD1 3.43Å; E33-L97 VanDerWaalsContact CG-O 3.3Å; E33-L97 WeakPolarHBondContact CG-O 3.43Å; G34-L97 PolarHBondContact N-O 2.73Å; T35-L97 WeakPolarHBondContact O-CB 3.42Å; T35-L97 WeakPolarHBondContact O-CG 3.47Å; T35-L97 PolarHBondContact O-N 3.12Å; A37-L97 HydrophobicContact CB-CD1 3.79Å; A37-L97 HydrophobicContact CB-CD2 4.1Å; A37-L97 HydrophobicContact CB-CG 4.39Å; L94-L97 HydrophobicContact CB-CD2 3.8Å; L94-L97 HydrophobicContact CD2-CD2 3.95Å; T95-L97 VanDerWaalsContact C-N 3.28Å; T95-L97 PolarHBondContact O-N 3Å; L97-D101 HydrophobicContact CD2-CB 4.16Å
98	Q	93.8	Very high	94.7	Very high	77 Å²	77	36.8 Å²	36.8	36%	0.36	19%	0.194	S	C	.	.			trans	-122.2	159.3	174.9	-62.8	-179.8	16	0	0	109.8	L11 E96 K100 D101	L11-Q98 WeakPolarHBondContact CD2-O 3.18Å; E96-Q98 WeakPolarHBondContact O-CG 3.31Å; E96-Q98 PolarHBondContact O-N 3.03Å; Q98-K100 HydrophobicContact CB-CD 4.45Å; Q98-K100 HydrophobicContact CB-CG 3.95Å; Q98-K100 PolarHBondContact O-N 3.44Å; Q98-D101 PolarHBondContact N-OD2 2.8Å; Q98-D101 VanDerWaalsContact O-CB 3.26Å; Q98-D101 WeakPolarHBondContact O-CB 3.33Å; Q98-D101 PolarHBondContact O-N 3.19Å
99	I	89	Confident	94.6	Very high	98 Å²	98	38 Å²	38	50%	0.503	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-51	-36.8	176.2	-61.7	175	0	0	0	112.3	L9 D101 S102	L9-I99 HydrophobicContact CD2-CD1 3.53Å; L9-I99 HydrophobicContact CD2-CG1 3.57Å; I99-D101 PolarHBondContact O-N 2.92Å; I99-D101 VanDerWaalsContact O-N 3.13Å; I99-S102 VanDerWaalsContact O-CB 3.3Å; I99-S102 WeakPolarHBondContact O-CB 3.42Å; I99-S102 PolarHBondContact O-N 3.33Å; I99-S102 VanDerWaalsContact O-N 3.07Å
100	K	90.2	Very high	94	Very high	115 Å²	115	43.6 Å²	43.6	50%	0.5	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-65.3	-12.1	178.7	73	-175.4	-173.9	-160.4	0	114.7	R57 Q98 S102	R57-K100 PolarHBondContact NH2-O 2.82Å; R57-K100 VanDerWaalsContact NH2-O 3.08Å; Q98-K100 HydrophobicContact CB-CD 4.45Å; Q98-K100 HydrophobicContact CB-CG 3.95Å; Q98-K100 PolarHBondContact O-N 3.44Å; K100-S102 VanDerWaalsContact C-N 3.27Å
101	D	93	Very high	93.9	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-85.4	-3.2	176.3	-58.9	-40.1	0	0	0	112.1	L11 L13 H78 L94 L97 Q98 I99 A103 Y105	L11-D101 HydrophobicContact CD2-CB 4.18Å; L13-D101 WeakPolarHBondContact CD2-O 3.43Å; H78-D101 IonicContact CD2-OD1 3.12Å; H78-D101 IonicContact CE1-OD1 3.03Å; H78-D101 IonicContact CE1-OD2 3.88Å; H78-D101 PolarHBondContact CE1-OD2 3.39Å; H78-D101 VanDerWaalsContact CE1-OD2 3.23Å; H78-D101 IonicContact NE2-OD1 2.74Å; H78-D101 PolarHBondContact NE2-OD1 2.81Å; H78-D101 IonicContact NE2-OD2 2.9Å; H78-D101 PolarHBondContact NE2-OD2 2.77Å; L94-D101 HydrophobicContact CD2-CB 4.3Å; L97-D101 HydrophobicContact CD2-CB 4.16Å; Q98-D101 PolarHBondContact N-OD2 2.8Å; Q98-D101 VanDerWaalsContact O-CB 3.26Å; Q98-D101 WeakPolarHBondContact O-CB 3.33Å; Q98-D101 PolarHBondContact O-N 3.19Å; I99-D101 PolarHBondContact O-N 2.92Å; I99-D101 VanDerWaalsContact O-N 3.13Å; D101-A103 PolarHBondContact O-N 3.41Å; D101-Y105 WeakPolarHBondContact O-CE2 3.34Å; D101-Y105 PolarHBondContact O-OH 3.33Å
102	S	93.8	Very high	93.7	Very high	56 Å²	56	46.3 Å²	46.3	39%	0.392	24%	0.235	S	C	.	.			trans	-68	104.8	174.3	-164.3	0	0	0	0	109.5	L11 F12 I99 K100	L11-S102 VanDerWaalsContact CD2-CA 3.46Å; F12-S102 PolarHBondContact O-OG 2.79Å; I99-S102 VanDerWaalsContact O-CB 3.3Å; I99-S102 WeakPolarHBondContact O-CB 3.42Å; I99-S102 PolarHBondContact O-N 3.33Å; I99-S102 VanDerWaalsContact O-N 3.07Å; K100-S102 VanDerWaalsContact C-N 3.27Å
103	A	94.4	Very high	93.5	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.041	25%	0.249	C	C	.	.	S	Bend	trans	-164.2	172.9	-173.6	0	0	0	0	0	110.5	L13 Q55 R57 D101 Y105	L13-A103 WeakPolarHBondContact CA-O 3.43Å; Q55-A103 HydrophobicContact CG-CB 3.56Å; R57-A103 HydrophobicContact CG-CB 4.04Å; D101-A103 PolarHBondContact O-N 3.41Å; A103-Y105 HydrophobicContact CB-CE2 3.9Å; A103-Y105 WeakPolarHBondContact O-CD2 3.28Å; A103-Y105 WeakPolarHBondContact O-CE2 3.36Å
104	S	94.6	Very high	93.3	Very high	21 Å²	21	49.8 Å²	49.8	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.8	166.2	-55.1	0	0	0	0	111.5	T14 Q55 Q56	T14-S104 WeakPolarHBondContact O-CA 3.4Å; T14-S104 WeakPolarHBondContact O-CB 3.44Å; T14-S104 PolarHBondContact O-OG 3.18Å; T14-S104 PolarHBondContact OG1-OG 2.81Å; Q55-S104 CarbonylContact C-O 3.56Å; Q55-S104 WeakPolarHBondContact CA-O 2.86Å; Q56-S104 PolarHBondContact N-O 2.97Å; Q56-S104 WeakPolarHBondContact O-CB 3.46Å; Q56-S104 PolarHBondContact O-N 3.23Å
105	Y	95.4	Very high	93	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104	-178.1	-70.7	-89.7	0	0	0	111.2	L13 V15 Q25 V39 Y54 Q55 L65 F79 L92 L94 D101 A103	L13-Y105 HydrophobicContact CB-CD2 4.4Å; L13-Y105 HydrophobicContact CD2-CD2 3.84Å; L13-Y105 HydrophobicContact CD2-CE2 3.34Å; L13-Y105 HydrophobicContact CG-CE2 4.46Å; V15-Y105 WeakPolarHBondContact CG1-O 3.42Å; Q25-Y105 PolarHBondContact NE2-O 3.36Å; Q25-Y105 VanDerWaalsContact NE2-O 3.14Å; V39-Y105 HydrophobicContact CG2-CG 4.32Å; Y54-Y105 CarbonylContact O-C 3.57Å; Y54-Y105 WeakPolarHBondContact O-CA 3.5Å; Q55-Y105 HydrophobicContact CB-CD1 4.47Å; Q55-Y105 HydrophobicContact CB-CE1 4.16Å; Q55-Y105 HydrophobicContact CG-CE1 3.94Å; Q55-Y105 PolarHBondContact NE2-OH 3.19Å; L65-Y105 HydrophobicContact CD1-CD1 3.94Å; L65-Y105 HydrophobicContact CD1-CE1 4.03Å; F79-Y105 AromaticContact CE1-CE1 3.87Å; F79-Y105 HydrophobicContact CE1-CE1 3.87Å; L92-Y105 HydrophobicContact CD2-CD1 3.49Å; L92-Y105 VanDerWaalsContact CD2-CD1 3.49Å; L92-Y105 HydrophobicContact CD2-CE1 4.11Å; L92-Y105 HydrophobicContact CD2-CG 4.34Å; L94-Y105 HydrophobicContact CD1-CE1 4.38Å; L94-Y105 HydrophobicContact CD2-CE1 3.79Å; L94-Y105 HydrophobicContact CD2-CE2 4.33Å; L94-Y105 VanDerWaalsContact CD2-OH 3.29Å; L94-Y105 WeakPolarHBondContact CD2-OH 3.25Å; D101-Y105 WeakPolarHBondContact O-CE2 3.34Å; D101-Y105 PolarHBondContact O-OH 3.33Å; A103-Y105 HydrophobicContact CB-CE2 3.9Å; A103-Y105 WeakPolarHBondContact O-CD2 3.28Å; A103-Y105 WeakPolarHBondContact O-CE2 3.36Å
106	L	94.7	Very high	92.9	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.9	-167.6	-33.1	179.4	0	0	0	110.5	G16 W53 Y54 Q56 P62	G16-L106 WeakPolarHBondContact O-CD2 3.11Å; W53-L106 CarbonylContact C-O 3.29Å; W53-L106 WeakPolarHBondContact CA-O 3.43Å; Y54-L106 PolarHBondContact N-O 2.92Å; Y54-L106 PolarHBondContact O-N 2.81Å; Q56-L106 HydrophobicContact CB-CD1 4.21Å; P62-L106 HydrophobicContact CB-CD1 4.32Å; P62-L106 HydrophobicContact CG-CD1 4.1Å
107	C	94.7	Very high	92.8	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.4	172	-179	0	0	0	0	109.7	V23 Q25 C41 W53	V23-C107 HydrophobicContact CG1-CB 4.45Å; Q25-C107 VanDerWaalsContact CD-CB 3.42Å; Q25-C107 HydrophobicContact CG-CB 4.2Å; C41-C107 HydrophobicContact CB-CB 3.56Å; C41-C107 WeakPolarHBondContact CB-SG 3.43Å; C41-C107 WeakPolarHBondContact SG-CB 3.38Å; C41-C107 CovalentContact SG-SG 2.05Å; C41-C107 PolarHBondContact SG-SG 2.76Å; W53-C107 HydrophobicContact CE3-CB 4.25Å; W53-C107 HydrophobicContact CH2-CB 4.04Å; W53-C107 HydrophobicContact CZ2-CB 4.29Å; W53-C107 HydrophobicContact CZ3-CB 4.02Å
108	A	93.3	Very high	92.6	Very high	40 Å²	40	50.2 Å²	50.2	33%	0.331	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.7	175	0	0	0	0	0	110.8	L51 S52 Y54	L51-A108 CarbonylContact C-O 3.54Å; L51-A108 WeakPolarHBondContact CA-O 3.32Å; S52-A108 PolarHBondContact N-O 3.19Å; S52-A108 PolarHBondContact O-N 2.82Å; Y54-A108 HydrophobicContact CE2-CB 4.19Å
109	V	91.8	Very high	92.5	Very high	36 Å²	36	48 Å²	48	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142	178.1	-176.9	0	0	0	0	109.5	V23 Y43 T45 F48 L51	V23-V109 HydrophobicContact CG2-CG2 4.21Å; Y43-V109 HydrophobicContact CD1-CG2 3.95Å; Y43-V109 HydrophobicContact CD2-CG1 4.14Å; Y43-V109 HydrophobicContact CD2-CG2 4.12Å; Y43-V109 HydrophobicContact CG-CG2 3.66Å; T45-V109 HydrophobicContact CG2-CG1 3.88Å; F48-V109 HydrophobicContact CD2-CG1 3.94Å; F48-V109 HydrophobicContact CE2-CG1 4.19Å; L51-V109 HydrophobicContact CD1-CG2 3.91Å; L51-V109 HydrophobicContact CG-CG2 4.14Å
110	R	85	Confident	92.8	Very high	169 Å²	169	43.5 Å²	43.5	64%	0.638	22%	0.224	S	C	*	.			trans	-118.4	0	173.1	-72.9	-170.1	179.5	103.6	-0.4	111.2	N49 G50	N49-R110 WeakPolarHBondContact CA-O 3.37Å; N49-R110 HydrophobicContact CB-CB 4.2Å; N49-R110 PolarHBondContact N-O 3.27Å; N49-R110 PolarHBondContact ND2-OXT 3.07Å; G50-R110 PolarHBondContact O-N 3.11Å

Retrieved 110 of 110 residues in 107.4 ms (Link to these results)

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