A0A075B601_MOUSE Loading...

T cell receptor alpha variable 9-1

AlphaFold DB , UniProt , Accession A0A075B601, Species MOUSE (Mus musculus, Mouse), Gene Trav9-1, Length 112 aa.

						>A0A075B601_MOUSE|A0A075B601|Trav9-1
MLLVLISFLGIHFFLDVQTQTVSQSDAHVTVFEGDSVELRCNYSYGGSIYLSWYIQHHGHGLQFLLKYYSGNPVVQGVNGFEAEFSKSDSSFHLRKASVHWSDSAVYFCAVS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64	Low	61.5	Low	194 Å²	194	107.3 Å²	107.3	96%	0.956	58%	0.584	S	S	*	*				0	-46.2	0	-90.5	178.1	64.7	0	0	113.6	L3 V4 L5	M1-L3 PolarHBondContact O-N 3.04Å; M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.16Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.47Å
2	L	68.8	Low	61.1	Low	127 Å²	127	111.2 Å²	111.2	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-61.5	-39.8	-175.5	-170.2	63.7	0	0	0	114.7	V4 L5 I6	L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.19Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.27Å; L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 VanDerWaalsContact O-CG1 3.29Å; L2-I6 WeakPolarHBondContact O-CG1 3.38Å; L2-I6 PolarHBondContact O-N 2.71Å
3	L	63	Low	60.7	Low	145 Å²	145	114.5 Å²	114.5	76%	0.759	60%	0.601	S	S	*	*	H	α-helix	trans	-65.7	-32.7	175.5	-71.1	163.7	0	0	0	113.2	M1 I6 S7	M1-L3 PolarHBondContact O-N 3.04Å; L3-I6 PolarHBondContact O-N 3.48Å; L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 PolarHBondContact O-OG 3.2Å
4	V	65.9	Low	60.6	Low	80 Å²	80	118.6 Å²	118.6	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-69.6	-41.1	174.3	176.8	0	0	0	0	109.5	M1 L2 S7 F8	M1-V4 WeakPolarHBondContact O-CB 3.49Å; M1-V4 PolarHBondContact O-N 3.33Å; M1-V4 VanDerWaalsContact O-N 3.16Å; L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.19Å; V4-S7 VanDerWaalsContact CA-OG 3.26Å; V4-S7 WeakPolarHBondContact CA-OG 3.32Å; V4-S7 PolarHBondContact O-N 2.91Å; V4-S7 PolarHBondContact O-OG 2.99Å; V4-F8 HydrophobicContact CG1-CD2 3.59Å; V4-F8 HydrophobicContact CG1-CE2 3.31Å; V4-F8 WeakPolarHBondContact O-CD2 3.17Å; V4-F8 PolarHBondContact O-N 2.98Å
5	L	60.9	Low	60.6	Low	91 Å²	91	119.9 Å²	119.9	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-65.2	-37.6	173.8	-68	166.8	0	0	0	112.8	M1 L2 F8 L9	M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 3.47Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3.27Å; L5-F8 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 PolarHBondContact O-N 2.96Å
6	I	64	Low	61	Low	102 Å²	102	121.6 Å²	121.6	52%	0.523	63%	0.63	S	S	.	*	H	α-helix	trans	-68.7	-37.1	176	-66.1	161.6	0	0	0	111.1	L2 L3 L9 G10	L2-I6 HydrophobicContact CG-CD1 4.13Å; L2-I6 VanDerWaalsContact O-CG1 3.29Å; L2-I6 WeakPolarHBondContact O-CG1 3.38Å; L2-I6 PolarHBondContact O-N 2.71Å; L3-I6 PolarHBondContact O-N 3.48Å; I6-L9 PolarHBondContact O-N 2.69Å; I6-G10 PolarHBondContact O-N 3.08Å
7	S	59.6	Low	61.6	Low	60 Å²	60	121.4 Å²	121.4	42%	0.42	64%	0.635	S	S	.	*	H	α-helix	trans	-67.5	-42.7	172.7	33.9	0	0	0	0	111.4	L3 V4 L9 G10 I11	L3-S7 PolarHBondContact O-N 3.45Å; L3-S7 PolarHBondContact O-OG 3.2Å; V4-S7 VanDerWaalsContact CA-OG 3.26Å; V4-S7 WeakPolarHBondContact CA-OG 3.32Å; V4-S7 PolarHBondContact O-N 2.91Å; V4-S7 PolarHBondContact O-OG 2.99Å; S7-L9 PolarHBondContact O-N 3.11Å; S7-G10 PolarHBondContact O-N 3.09Å; S7-I11 WeakPolarHBondContact O-CD1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.38Å; S7-I11 PolarHBondContact O-N 3.35Å; S7-I11 VanDerWaalsContact O-N 3.07Å
8	F	58.3	Low	62.5	Low	120 Å²	120	119.9 Å²	119.9	53%	0.526	63%	0.625	S	S	.	*	H	α-helix	trans	-62.5	-40	171.5	-76.9	-65.9	0	0	0	112.9	V4 L5 G10 I11 H12	V4-F8 HydrophobicContact CG1-CD2 3.59Å; V4-F8 HydrophobicContact CG1-CE2 3.31Å; V4-F8 WeakPolarHBondContact O-CD2 3.17Å; V4-F8 PolarHBondContact O-N 2.98Å; L5-F8 PolarHBondContact O-N 3.41Å; F8-G10 VanDerWaalsContact C-N 3.34Å; F8-G10 PolarHBondContact O-N 3.07Å; F8-I11 PolarHBondContact O-N 3.03Å; F8-H12 PolarHBondContact O-CD2 3.25Å; F8-H12 PolarHBondContact O-N 3.4Å
9	L	57.5	Low	63.8	Low	120 Å²	120	118.9 Å²	118.9	63%	0.628	62%	0.624	S	S	*	*	H	α-helix	trans	-64.4	-36.8	174.1	-118.1	85.1	0	0	0	112.4	L5 I6 S7 I11 F13	L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 PolarHBondContact O-N 2.96Å; I6-L9 PolarHBondContact O-N 2.69Å; S7-L9 PolarHBondContact O-N 3.11Å; L9-I11 VanDerWaalsContact C-N 3.32Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CE2 3.46Å
10	G	55.9	Low	65.2	Low	51 Å²	51	116.4 Å²	116.4	53%	0.526	61%	0.609	S	S	.	*	H	α-helix	trans	-71.3	-25.2	177.3	0	0	0	0	0	113.7	I6 S7 F8	I6-G10 PolarHBondContact O-N 3.08Å; S7-G10 PolarHBondContact O-N 3.09Å; F8-G10 VanDerWaalsContact C-N 3.34Å; F8-G10 PolarHBondContact O-N 3.07Å
11	I	59	Low	66.6	Low	90 Å²	90	114.1 Å²	114.1	46%	0.462	60%	0.6	S	S	.	*	H	α-helix	trans	-85.3	-19.2	-178.6	-64.7	161.6	0	0	0	112.1	S7 F8 L9 F13 F14	S7-I11 WeakPolarHBondContact O-CD1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.38Å; S7-I11 PolarHBondContact O-N 3.35Å; S7-I11 VanDerWaalsContact O-N 3.07Å; F8-I11 PolarHBondContact O-N 3.03Å; L9-I11 VanDerWaalsContact C-N 3.32Å; I11-F13 PolarHBondContact O-N 3.01Å; I11-F14 HydrophobicContact CG2-CD2 4.29Å; I11-F14 HydrophobicContact CG2-CE2 3.58Å; I11-F14 HydrophobicContact CG2-CZ 4.38Å; I11-F14 WeakPolarHBondContact O-CD2 3.39Å; I11-F14 WeakPolarHBondContact O-CE2 3.43Å
12	H	56.5	Low	68.2	Low	154 Å²	154	107.4 Å²	107.4	71%	0.713	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-3.4	176.8	-73.8	-57.5	0	0	0	114.8	F8 F14	F8-H12 PolarHBondContact O-CD2 3.25Å; F8-H12 PolarHBondContact O-N 3.4Å; H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 PolarHBondContact O-N 3.21Å
13	F	56	Low	69.6	Low	155 Å²	155	104.7 Å²	104.7	68%	0.68	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	33.7	171.7	-61.9	-78.6	0	0	0	112.6	L9 I11 L15	L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CE2 3.46Å; I11-F13 PolarHBondContact O-N 3.01Å; F13-L15 PolarHBondContact O-N 2.9Å
14	F	59	Low	71.2	Confident	171 Å²	171	101.2 Å²	101.2	75%	0.75	54%	0.541	S	S	*	.			trans	-66.6	81.6	148.8	-64.1	-65.4	0	0	0	106.6	I11 H12 D16	I11-F14 HydrophobicContact CG2-CD2 4.29Å; I11-F14 HydrophobicContact CG2-CE2 3.58Å; I11-F14 HydrophobicContact CG2-CZ 4.38Å; I11-F14 WeakPolarHBondContact O-CD2 3.39Å; I11-F14 WeakPolarHBondContact O-CE2 3.43Å; H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 PolarHBondContact O-N 3.21Å; F14-D16 VanDerWaalsContact C-N 3.34Å; F14-D16 PolarHBondContact O-N 2.97Å
15	L	60.5	Low	72.4	Confident	138 Å²	138	100.3 Å²	100.3	72%	0.723	54%	0.538	S	S	*	.			trans	-52.4	108.2	159.9	-66.4	169.6	0	0	0	104.9	F13 V17	F13-L15 PolarHBondContact O-N 2.9Å; L15-V17 HydrophobicContact CB-CG2 4.45Å; L15-V17 PolarHBondContact O-N 2.92Å
16	D	67.6	Low	73.6	Confident	148 Å²	148	98 Å²	98	79%	0.791	53%	0.527	S	S	*	.			trans	-65.3	88.1	171.4	-172.6	18.9	0	0	0	106.4	F14 Q18	F14-D16 VanDerWaalsContact C-N 3.34Å; F14-D16 PolarHBondContact O-N 2.97Å; D16-Q18 VanDerWaalsContact C-N 3.26Å; D16-Q18 PolarHBondContact O-N 2.79Å
17	V	70.3	Confident	74.7	Confident	118 Å²	118	98.2 Å²	98.2	72%	0.715	54%	0.544	S	S	*	.			trans	-72.9	92	174.6	177.9	0	0	0	0	105.9	L15 T19	L15-V17 HydrophobicContact CB-CG2 4.45Å; L15-V17 PolarHBondContact O-N 2.92Å; V17-T19 PolarHBondContact O-N 2.68Å
18	Q	77.7	Confident	76.4	Confident	95 Å²	95	102.8 Å²	102.8	44%	0.444	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-72.2	117.2	176.2	-165.7	170.1	24	0	0	109.3	D16 Y45 G46	D16-Q18 VanDerWaalsContact C-N 3.26Å; D16-Q18 PolarHBondContact O-N 2.79Å; Q18-Y45 HydrophobicContact CB-CE2 4.26Å; Q18-Y45 HydrophobicContact CG-CD2 3.96Å; Q18-Y45 HydrophobicContact CG-CE2 4.04Å; Q18-G46 VanDerWaalsContact NE2-CA 3.32Å
19	T	86.9	Confident	78.2	Confident	100 Å²	100	99.8 Å²	99.8	61%	0.613	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-77.1	135.4	176.9	-57.5	0	0	0	0	109.6	V17 T21	V17-T19 PolarHBondContact O-N 2.68Å; T19-T21 HydrophobicContact CG2-CG2 3.78Å
20	Q	92.4	Very high	80	Confident	68 Å²	68	99.6 Å²	99.6	32%	0.318	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-97.8	131.3	169.6	-58.7	179.1	-36	0	0	108.7	Y45 V111 S112	Q20-Y45 HydrophobicContact CG-CD1 4.07Å; Q20-Y45 HydrophobicContact CG-CD2 3.52Å; Q20-Y45 HydrophobicContact CG-CE1 4.26Å; Q20-Y45 HydrophobicContact CG-CE2 3.75Å; Q20-Y45 HydrophobicContact CG-CG 3.72Å; Q20-V111 HydrophobicContact CB-CG1 3.76Å; Q20-S112 PolarHBondContact NE2-OXT 3.4Å
21	T	95.8	Very high	82	Confident	70 Å²	70	99.9 Å²	99.9	43%	0.429	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.6	176.2	61.7	0	0	0	0	111.4	T19 Y43 S44	T19-T21 HydrophobicContact CG2-CG2 3.78Å; T21-Y43 CarbonylContact O-C 3.49Å; T21-Y43 VanDerWaalsContact O-CA 3.27Å; T21-Y43 WeakPolarHBondContact O-CA 3.26Å; T21-S44 PolarHBondContact N-O 2.87Å; T21-S44 PolarHBondContact O-N 2.79Å; T21-S44 VanDerWaalsContact OG1-CB 3.3Å; T21-S44 WeakPolarHBondContact OG1-CB 3.2Å
22	V	97.1	Very high	83.8	Confident	52 Å²	52	103.4 Å²	103.4	32%	0.315	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.5	148.7	166.4	-74	0	0	0	0	109.3	N42 L51 V111	V22-N42 CarbonylContact C-O 3.59Å; V22-N42 WeakPolarHBondContact CA-O 3.3Å; V22-L51 HydrophobicContact CG1-CD2 4.39Å; V22-V111 HydrophobicContact CG1-CB 3.81Å; V22-V111 HydrophobicContact CG1-CG1 3.75Å
23	S	97.1	Very high	85.8	Confident	71 Å²	71	101 Å²	101	50%	0.497	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.2	175.8	-179.4	0	0	0	0	109.4	C41 N42	S23-C41 WeakPolarHBondContact O-CA 3.42Å; S23-N42 PolarHBondContact N-O 2.02Å; S23-N42 PolarHBondContact O-N 2.85Å
24	Q	97.8	Very high	87.8	Confident	71 Å²	71	95.5 Å²	95.5	33%	0.332	53%	0.533	S	S	.	.			trans	-110.2	108.7	173.7	-69.4	179.2	-117.7	0	0	108.2	D26 R40 C41 W53 Y107 C109	Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-R40 WeakPolarHBondContact CA-O 3.49Å; Q24-C41 HydrophobicContact CG-CB 4.47Å; Q24-W53 HydrophobicContact CG-CH2 4.38Å; Q24-Y107 PolarHBondContact NE2-O 2.8Å; Q24-C109 HydrophobicContact CG-CB 4.15Å
25	S	90.9	Very high	89.6	Confident	61 Å²	61	90.8 Å²	90.8	43%	0.427	52%	0.516	S	S	.	.			trans	-75.4	-22.8	-176.3	47.1	0	0	0	0	113.3	A27 R40	S25-A27 PolarHBondContact O-N 2.89Å; S25-R40 PolarHBondContact OG-NE 2.86Å; S25-R40 VanDerWaalsContact OG-NE 3.08Å; S25-R40 PolarHBondContact OG-NH2 2.76Å
26	D	86.4	Confident	91.4	Very high	44 Å²	44	88.3 Å²	88.3	24%	0.235	51%	0.51	C	S	.	.			trans	-92.6	89.7	-175.2	-54.2	-50.6	0	0	0	109.9	Q24 H28 V29 R40	Q24-D26 VanDerWaalsContact C-N 3.32Å; D26-H28 VanDerWaalsContact C-N 3.3Å; D26-H28 PolarHBondContact O-N 2.82Å; D26-V29 HydrophobicContact CB-CG2 3.63Å; D26-R40 IonicContact OD1-CZ 3.35Å; D26-R40 IonicContact OD1-NE 2.68Å; D26-R40 PolarHBondContact OD1-NE 2.96Å; D26-R40 IonicContact OD1-NH2 2.69Å; D26-R40 PolarHBondContact OD1-NH2 3.37Å; D26-R40 VanDerWaalsContact OD2-CB 3.29Å; D26-R40 WeakPolarHBondContact OD2-CB 3.35Å; D26-R40 WeakPolarHBondContact OD2-CG 3.31Å; D26-R40 IonicContact OD2-CZ 3.92Å; D26-R40 PolarHBondContact OD2-N 2.79Å; D26-R40 IonicContact OD2-NE 3.21Å; D26-R40 PolarHBondContact OD2-NE 3.04Å; D26-R40 IonicContact OD2-NH2 3.94Å
27	A	86.9	Confident	92.8	Very high	106 Å²	106	82.3 Å²	82.3	88%	0.876	48%	0.479	S	S	*	.	S	Bend	trans	-65.9	-34.1	-179.3	0	0	0	0	0	112.8	S25	S25-A27 PolarHBondContact O-N 2.89Å
28	H	94.2	Very high	94.1	Very high	155 Å²	155	79.9 Å²	79.9	72%	0.718	46%	0.46	S	S	*	.			trans	-151.7	127.3	178	-173	-97.3	0	0	0	109.5	D26 T30	D26-H28 VanDerWaalsContact C-N 3.3Å; D26-H28 PolarHBondContact O-N 2.82Å; H28-T30 PolarHBondContact CE1-OG1 3.48Å; H28-T30 PolarHBondContact ND1-OG1 2.87Å
29	V	96	Very high	95.1	Very high	58 Å²	58	76.5 Å²	76.5	35%	0.352	44%	0.444	S	S	.	.			trans	-120.2	131.2	178.8	-179.4	0	0	0	0	108.5	D26 V31 V37 L39	D26-V29 HydrophobicContact CB-CG2 3.63Å; V29-V31 HydrophobicContact CG1-CG1 4.08Å; V29-V37 HydrophobicContact CG1-CG2 3.77Å; V29-L39 HydrophobicContact CB-CD2 4.09Å; V29-L39 HydrophobicContact CG1-CD2 4.48Å; V29-L39 HydrophobicContact CG2-CD2 3.67Å
30	T	96.4	Very high	95.6	Very high	116 Å²	116	76.8 Å²	76.8	71%	0.712	43%	0.434	S	S	*	.			trans	-127.1	124.9	176.8	-53.4	0	0	0	0	108.4	H28	H28-T30 PolarHBondContact CE1-OG1 3.48Å; H28-T30 PolarHBondContact ND1-OG1 2.87Å
31	V	96.8	Very high	95.9	Very high	56 Å²	56	73.5 Å²	73.5	34%	0.339	42%	0.419	S	S	.	.			trans	-137.7	159.9	-177.4	-69.3	0	0	0	0	108.8	V29 D35 V37 V99	V29-V31 HydrophobicContact CG1-CG1 4.08Å; V31-D35 HydrophobicContact CB-CB 4.22Å; V31-V37 HydrophobicContact CG1-CB 4.48Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V31-V37 HydrophobicContact CG2-CB 4.46Å; V31-V37 HydrophobicContact CG2-CG2 4.48Å; V31-V99 HydrophobicContact CB-CG2 4.46Å; V31-V99 HydrophobicContact CG2-CB 4.47Å; V31-V99 HydrophobicContact CG2-CG1 4.36Å; V31-V99 HydrophobicContact CG2-CG2 3.64Å
32	F	97.8	Very high	96	Very high	164 Å²	164	73 Å²	73	72%	0.719	41%	0.414	S	S	*	.			trans	-85.9	155	174.2	-64.1	-78.6	0	0	0	111	G34 D35 V99	F32-G34 PolarHBondContact O-N 2.79Å; F32-D35 WeakPolarHBondContact CB-OD2 3.49Å; F32-D35 PolarHBondContact N-OD2 3.14Å; F32-D35 VanDerWaalsContact O-CB 3.24Å; F32-D35 WeakPolarHBondContact O-CB 3.41Å; F32-D35 PolarHBondContact O-N 2.94Å; F32-V99 WeakPolarHBondContact O-CG2 3.4Å
33	E	97.6	Very high	95.9	Very high	104 Å²	104	71.3 Å²	71.3	49%	0.486	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	135.7	171.4	-177.7	171	-137.9	0	0	110.3	D35 W101	E33-D35 VanDerWaalsContact C-N 3.31Å; E33-W101 HydrophobicContact CB-CZ2 4.3Å; E33-W101 PolarHBondContact OE1-NE1 3.48Å; E33-W101 VanDerWaalsContact OE2-CD1 3.31Å; E33-W101 PolarHBondContact OE2-NE1 3.38Å
34	G	98.1	Very high	95.8	Very high	40 Å²	40	71.4 Å²	71.4	41%	0.412	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-22.5	-174.7	0	0	0	0	0	114.4	F32 S98 V99	F32-G34 PolarHBondContact O-N 2.79Å; G34-S98 WeakPolarHBondContact CA-OG 3.27Å; G34-S98 PolarHBondContact O-OG 3Å; G34-S98 VanDerWaalsContact O-OG 3.14Å; G34-V99 PolarHBondContact N-O 3.07Å
35	D	98.2	Very high	95.5	Very high	71 Å²	71	71 Å²	71	38%	0.38	40%	0.399	S	S	.	.			trans	-68.5	159.8	179.2	-70	-18.2	0	0	0	111.9	V31 F32 E33 S98 V99	V31-D35 HydrophobicContact CB-CB 4.22Å; F32-D35 WeakPolarHBondContact CB-OD2 3.49Å; F32-D35 PolarHBondContact N-OD2 3.14Å; F32-D35 VanDerWaalsContact O-CB 3.24Å; F32-D35 WeakPolarHBondContact O-CB 3.41Å; F32-D35 PolarHBondContact O-N 2.94Å; E33-D35 VanDerWaalsContact C-N 3.31Å; D35-S98 CarbonylContact O-C 3.58Å; D35-S98 WeakPolarHBondContact O-CA 3.27Å; D35-V99 HydrophobicContact CB-CG2 4.46Å; D35-V99 VanDerWaalsContact O-CG2 3.31Å; D35-V99 WeakPolarHBondContact O-CG2 3.46Å; D35-V99 PolarHBondContact O-N 2.85Å
36	S	98.1	Very high	95.2	Very high	86 Å²	86	71.1 Å²	71.1	60%	0.601	41%	0.409	S	S	*	.			trans	-85.2	148.6	166.8	62.2	0	0	0	0	110.9	K96 A97	S36-K96 CarbonylContact C-O 3.52Å; S36-K96 VanDerWaalsContact CA-O 3.27Å; S36-K96 WeakPolarHBondContact CA-O 3.31Å; S36-A97 WeakPolarHBondContact CA-O 3.32Å; S36-A97 WeakPolarHBondContact CB-O 3.13Å
37	V	97.3	Very high	95.2	Very high	23 Å²	23	70.5 Å²	70.5	14%	0.139	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.2	176.3	72	0	0	0	0	110.6	V29 V31 L39 R95 K96 V99	V29-V37 HydrophobicContact CG1-CG2 3.77Å; V31-V37 HydrophobicContact CG1-CB 4.48Å; V31-V37 HydrophobicContact CG1-CG2 4.24Å; V31-V37 HydrophobicContact CG2-CB 4.46Å; V31-V37 HydrophobicContact CG2-CG2 4.48Å; V37-L39 HydrophobicContact CG2-CD2 4.23Å; V37-R95 VanDerWaalsContact O-CA 3.31Å; V37-R95 WeakPolarHBondContact O-CA 3.25Å; V37-K96 HydrophobicContact CG1-CB 4.08Å; V37-K96 PolarHBondContact N-O 3.41Å; V37-K96 PolarHBondContact O-N 3.25Å; V37-V99 HydrophobicContact CB-CG1 3.81Å; V37-V99 HydrophobicContact CG1-CG1 3.33Å
38	E	97.4	Very high	95.2	Very high	67 Å²	67	70 Å²	70	31%	0.313	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.8	168.3	-178.4	179.7	102.6	0	0	109	H93 L94 R95	E38-H93 HydrophobicContact CG-CB 4.13Å; E38-H93 IonicContact OE1-CD2 3.33Å; E38-L94 CarbonylContact C-O 3.58Å; E38-L94 VanDerWaalsContact CA-O 3.27Å; E38-L94 WeakPolarHBondContact CA-O 3.02Å; E38-R95 HydrophobicContact CB-CG 4.43Å; E38-R95 HydrophobicContact CG-CG 4.13Å; E38-R95 IonicContact OE2-CZ 3Å; E38-R95 IonicContact OE2-NE 3.7Å; E38-R95 IonicContact OE2-NH1 2.64Å; E38-R95 PolarHBondContact OE2-NH1 2.96Å; E38-R95 IonicContact OE2-NH2 3.01Å; E38-R95 PolarHBondContact OE2-NH2 2.95Å
39	L	97.8	Very high	95	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.12	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.8	171.6	-55.6	-177.3	0	0	0	108.9	V29 V37 W53 H93 L94 Y107	V29-L39 HydrophobicContact CB-CD2 4.09Å; V29-L39 HydrophobicContact CG1-CD2 4.48Å; V29-L39 HydrophobicContact CG2-CD2 3.67Å; V37-L39 HydrophobicContact CG2-CD2 4.23Å; L39-W53 HydrophobicContact CB-CH2 3.93Å; L39-W53 HydrophobicContact CB-CZ2 4.46Å; L39-H93 WeakPolarHBondContact O-CA 3.49Å; L39-L94 HydrophobicContact CB-CB 4.33Å; L39-L94 HydrophobicContact CD1-CD2 4.26Å; L39-L94 PolarHBondContact N-O 3.21Å; L39-L94 PolarHBondContact O-N 2.96Å; L39-Y107 HydrophobicContact CD1-CD1 4.24Å; L39-Y107 HydrophobicContact CD1-CD2 3.73Å; L39-Y107 HydrophobicContact CD1-CE2 4.5Å; L39-Y107 HydrophobicContact CD1-CG 3.59Å
40	R	97.9	Very high	95	Very high	106 Å²	106	65.6 Å²	65.6	40%	0.4	38%	0.376	S	S	.	.			trans	-83.5	129.6	-175.2	-62.7	176.9	-68.8	171.6	0.7	111	Q24 S25 D26	Q24-R40 WeakPolarHBondContact CA-O 3.49Å; S25-R40 PolarHBondContact OG-NE 2.86Å; S25-R40 VanDerWaalsContact OG-NE 3.08Å; S25-R40 PolarHBondContact OG-NH2 2.76Å; D26-R40 IonicContact OD1-CZ 3.35Å; D26-R40 IonicContact OD1-NE 2.68Å; D26-R40 PolarHBondContact OD1-NE 2.96Å; D26-R40 IonicContact OD1-NH2 2.69Å; D26-R40 PolarHBondContact OD1-NH2 3.37Å; D26-R40 VanDerWaalsContact OD2-CB 3.29Å; D26-R40 WeakPolarHBondContact OD2-CB 3.35Å; D26-R40 WeakPolarHBondContact OD2-CG 3.31Å; D26-R40 IonicContact OD2-CZ 3.92Å; D26-R40 PolarHBondContact OD2-N 2.79Å; D26-R40 IonicContact OD2-NE 3.21Å; D26-R40 PolarHBondContact OD2-NE 3.04Å; D26-R40 IonicContact OD2-NH2 3.94Å
41	C	97.8	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.342	C	S	.	.			trans	-129.5	125.8	166.6	175.7	0	0	0	0	109.7	S23 Q24 W53 S91 F92 H93 C109	S23-C41 WeakPolarHBondContact O-CA 3.42Å; Q24-C41 HydrophobicContact CG-CB 4.47Å; C41-W53 HydrophobicContact CB-CH2 3.98Å; C41-W53 HydrophobicContact CB-CZ2 3.37Å; C41-S91 WeakPolarHBondContact O-CA 3.19Å; C41-F92 PolarHBondContact O-N 3.46Å; C41-H93 PolarHBondContact N-ND1 2.8Å; C41-H93 PolarHBondContact O-CE1 2.8Å; C41-H93 PolarHBondContact O-ND1 2.79Å; C41-H93 VanDerWaalsContact O-ND1 3.1Å; C41-C109 HydrophobicContact CB-CB 3.49Å; C41-C109 VanDerWaalsContact CB-CB 3.49Å; C41-C109 WeakPolarHBondContact CB-SG 3.01Å; C41-C109 WeakPolarHBondContact SG-CB 3.48Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.87Å
42	N	97.6	Very high	95.1	Very high	60 Å²	60	57.5 Å²	57.5	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.6	168.9	-62.9	-50.1	0	0	0	109.2	V22 S23 S90 S91 H93	V22-N42 CarbonylContact C-O 3.59Å; V22-N42 WeakPolarHBondContact CA-O 3.3Å; S23-N42 PolarHBondContact N-O 2.02Å; S23-N42 PolarHBondContact O-N 2.85Å; N42-S90 CarbonylContact C-O 3.57Å; N42-S90 VanDerWaalsContact CA-O 3.25Å; N42-S90 WeakPolarHBondContact CA-O 3.08Å; N42-S91 WeakPolarHBondContact OD1-CB 3.07Å; N42-H93 PolarHBondContact OD1-CE1 2.8Å
43	Y	96	Very high	95.1	Very high	16 Å²	16	49.7 Å²	49.7	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.8	178.3	71.4	-93.6	0	0	0	111.3	T21 I49 L51 F85 S90	T21-Y43 CarbonylContact O-C 3.49Å; T21-Y43 VanDerWaalsContact O-CA 3.27Å; T21-Y43 WeakPolarHBondContact O-CA 3.26Å; Y43-I49 HydrophobicContact CD2-CD1 4.19Å; Y43-I49 HydrophobicContact CD2-CG1 4.43Å; Y43-I49 HydrophobicContact CD2-CG2 4.37Å; Y43-I49 HydrophobicContact CE2-CD1 3.36Å; Y43-I49 HydrophobicContact CE2-CG1 4.05Å; Y43-I49 HydrophobicContact CE2-CG2 4.3Å; Y43-L51 HydrophobicContact CD1-CD1 3.33Å; Y43-L51 HydrophobicContact CD1-CD2 4.01Å; Y43-L51 HydrophobicContact CD1-CG 4.28Å; Y43-L51 HydrophobicContact CE1-CD1 3.51Å; Y43-L51 HydrophobicContact CG-CD1 4.02Å; Y43-L51 HydrophobicContact CG-CD2 4.06Å; Y43-F85 HydrophobicContact CE1-CD2 4.4Å; Y43-F85 AromaticContact CE1-CE2 3.86Å; Y43-F85 HydrophobicContact CE1-CE2 3.86Å; Y43-F85 AromaticContact CZ-CE2 3.99Å; Y43-S90 VanDerWaalsContact CD1-O 3.24Å; Y43-S90 WeakPolarHBondContact CD1-O 3.04Å; Y43-S90 VanDerWaalsContact CE1-CA 3.45Å; Y43-S90 PolarHBondContact N-O 3.21Å; Y43-S90 WeakPolarHBondContact O-CB 3.4Å
44	S	94.7	Very high	95.1	Very high	73 Å²	73	48.1 Å²	48.1	51%	0.51	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	108	167.5	-167.6	0	0	0	0	108.9	T21	T21-S44 PolarHBondContact N-O 2.87Å; T21-S44 PolarHBondContact O-N 2.79Å; T21-S44 VanDerWaalsContact OG1-CB 3.3Å; T21-S44 WeakPolarHBondContact OG1-CB 3.2Å
45	Y	91.8	Very high	95.1	Very high	63 Å²	63	46.7 Å²	46.7	25%	0.247	27%	0.266	C	S	.	.			trans	-164.5	139.2	172.8	-176.1	-140	0	0	0	109.3	Q18 Q20 S48 I49	Q18-Y45 HydrophobicContact CB-CE2 4.26Å; Q18-Y45 HydrophobicContact CG-CD2 3.96Å; Q18-Y45 HydrophobicContact CG-CE2 4.04Å; Q20-Y45 HydrophobicContact CG-CD1 4.07Å; Q20-Y45 HydrophobicContact CG-CD2 3.52Å; Q20-Y45 HydrophobicContact CG-CE1 4.26Å; Q20-Y45 HydrophobicContact CG-CE2 3.75Å; Q20-Y45 HydrophobicContact CG-CG 3.72Å; Y45-S48 VanDerWaalsContact CE1-O 3.25Å; Y45-S48 WeakPolarHBondContact CE1-O 3.21Å; Y45-I49 HydrophobicContact CD1-CG1 3.58Å; Y45-I49 HydrophobicContact CE1-CG1 4.48Å; Y45-I49 HydrophobicContact CG-CG1 4.27Å
46	G	84.7	Confident	95.1	Very high	62 Å²	62	46.8 Å²	46.8	64%	0.639	26%	0.264	S	S	*	.	S	Bend	trans	-98.2	-7.4	-178.3	0	0	0	0	0	115	Q18	Q18-G46 VanDerWaalsContact NE2-CA 3.32Å
47	G	86.8	Confident	95	Very high	31 Å²	31	45 Å²	45	32%	0.32	25%	0.246	S	C	.	.	S	Bend	trans	-87.8	-161.6	-178.6	0	0	0	0	0	114.3	I49	G47-I49 WeakPolarHBondContact O-CD1 2.96Å; G47-I49 WeakPolarHBondContact O-CG1 3.27Å; G47-I49 PolarHBondContact O-N 2.83Å
48	S	86.6	Confident	94.9	Very high	96 Å²	96	52.8 Å²	52.8	67%	0.671	28%	0.28	S	S	*	.			trans	-65.8	121	167.5	-63.3	0	0	0	0	109.4	Y45	Y45-S48 VanDerWaalsContact CE1-O 3.25Å; Y45-S48 WeakPolarHBondContact CE1-O 3.21Å
49	I	90.1	Very high	94.8	Very high	26 Å²	26	53.3 Å²	53.3	13%	0.133	30%	0.304	C	S	.	.			trans	-109.6	126.8	-171	-66.6	140.1	0	0	0	110	Y43 Y45 G47 L51 V111	Y43-I49 HydrophobicContact CD2-CD1 4.19Å; Y43-I49 HydrophobicContact CD2-CG1 4.43Å; Y43-I49 HydrophobicContact CD2-CG2 4.37Å; Y43-I49 HydrophobicContact CE2-CD1 3.36Å; Y43-I49 HydrophobicContact CE2-CG1 4.05Å; Y43-I49 HydrophobicContact CE2-CG2 4.3Å; Y45-I49 HydrophobicContact CD1-CG1 3.58Å; Y45-I49 HydrophobicContact CE1-CG1 4.48Å; Y45-I49 HydrophobicContact CG-CG1 4.27Å; G47-I49 WeakPolarHBondContact O-CD1 2.96Å; G47-I49 WeakPolarHBondContact O-CG1 3.27Å; G47-I49 PolarHBondContact O-N 2.83Å; I49-L51 HydrophobicContact CG2-CD1 3.54Å; I49-L51 HydrophobicContact CG2-CD2 4.31Å; I49-L51 HydrophobicContact CG2-CG 3.57Å; I49-V111 HydrophobicContact CG2-CG2 4.05Å
50	Y	94.8	Very high	94.7	Very high	94 Å²	94	57.7 Å²	57.7	37%	0.369	32%	0.323	S	S	.	.			trans	-111.8	125.8	162.2	-55.3	-77.1	0	0	0	109.5	Y69 V111 S112	Y50-Y69 AromaticContact CD1-CD1 3.87Å; Y50-Y69 HydrophobicContact CD1-CD1 3.87Å; Y50-Y69 HydrophobicContact CE1-CD1 4.03Å; Y50-V111 WeakPolarHBondContact O-CA 3.49Å; Y50-S112 WeakPolarHBondContact CB-O 3.44Å; Y50-S112 WeakPolarHBondContact CD2-O 3.48Å; Y50-S112 PolarHBondContact N-O 2.96Å; Y50-S112 PolarHBondContact O-N 3.35Å
51	L	97.6	Very high	94.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.6	-179.7	-71.5	152.8	0	0	0	110	V22 Y43 I49 K67 Y68 F85 F92 A110 V111	V22-L51 HydrophobicContact CG1-CD2 4.39Å; Y43-L51 HydrophobicContact CD1-CD1 3.33Å; Y43-L51 HydrophobicContact CD1-CD2 4.01Å; Y43-L51 HydrophobicContact CD1-CG 4.28Å; Y43-L51 HydrophobicContact CE1-CD1 3.51Å; Y43-L51 HydrophobicContact CG-CD1 4.02Å; Y43-L51 HydrophobicContact CG-CD2 4.06Å; I49-L51 HydrophobicContact CG2-CD1 3.54Å; I49-L51 HydrophobicContact CG2-CD2 4.31Å; I49-L51 HydrophobicContact CG2-CG 3.57Å; L51-K67 CarbonylContact O-C 3.56Å; L51-K67 VanDerWaalsContact O-CA 3.31Å; L51-K67 WeakPolarHBondContact O-CA 3.38Å; L51-K67 WeakPolarHBondContact O-CG 3.44Å; L51-Y68 PolarHBondContact O-N 3.36Å; L51-F85 HydrophobicContact CD1-CD2 3.73Å; L51-F85 HydrophobicContact CD1-CE2 3.87Å; L51-F92 HydrophobicContact CB-CB 4.02Å; L51-F92 HydrophobicContact CB-CD1 3.44Å; L51-F92 VanDerWaalsContact CB-CD1 3.44Å; L51-F92 HydrophobicContact CB-CD2 4.41Å; L51-F92 HydrophobicContact CB-CE1 3.87Å; L51-F92 HydrophobicContact CB-CG 3.72Å; L51-F92 HydrophobicContact CD1-CB 3.81Å; L51-F92 HydrophobicContact CD1-CG 4.28Å; L51-F92 HydrophobicContact CG-CB 4.32Å; L51-F92 WeakPolarHBondContact O-CE1 3.47Å; L51-A110 WeakPolarHBondContact CA-O 3.37Å; L51-V111 HydrophobicContact CD2-CB 3.8Å; L51-V111 HydrophobicContact CD2-CG2 4.05Å
52	S	97.9	Very high	94.7	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.4	-174.8	-45.9	0	0	0	0	110.5	L66 K67 C109 A110	S52-L66 WeakPolarHBondContact CA-O 3.31Å; S52-K67 VanDerWaalsContact OG-CD 3.23Å; S52-K67 WeakPolarHBondContact OG-CD 3.19Å; S52-K67 WeakPolarHBondContact OG-CG 3.36Å; S52-C109 CarbonylContact O-C 3.49Å; S52-C109 WeakPolarHBondContact O-CA 3.47Å; S52-A110 PolarHBondContact N-O 2.92Å; S52-A110 PolarHBondContact O-N 3.44Å
53	W	98.4	Very high	94.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	166.5	-80.3	97.1	0	0	0	110.2	Q24 L39 C41 L65 L66 F92 L94 F108 C109	Q24-W53 HydrophobicContact CG-CH2 4.38Å; L39-W53 HydrophobicContact CB-CH2 3.93Å; L39-W53 HydrophobicContact CB-CZ2 4.46Å; C41-W53 HydrophobicContact CB-CH2 3.98Å; C41-W53 HydrophobicContact CB-CZ2 3.37Å; W53-L65 HydrophobicContact CB-CB 4.31Å; W53-L65 HydrophobicContact CB-CD2 4.23Å; W53-L65 VanDerWaalsContact O-CB 3.31Å; W53-L65 WeakPolarHBondContact O-CB 3.34Å; W53-L65 PolarHBondContact O-N 2.75Å; W53-L66 HydrophobicContact CB-CD1 4.09Å; W53-L66 HydrophobicContact CB-CG 4.26Å; W53-L66 HydrophobicContact CG-CD1 4.37Å; W53-L66 PolarHBondContact N-O 3.33Å; W53-L66 PolarHBondContact O-N 3.4Å; W53-F92 AromaticContact CD1-CD1 3.48Å; W53-F92 VanDerWaalsContact CD1-CD1 3.48Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.53Å; W53-F92 PolarHBondContact NE1-O 3.07Å; W53-L94 HydrophobicContact CB-CD1 4.26Å; W53-L94 HydrophobicContact CD2-CB 3.9Å; W53-L94 HydrophobicContact CD2-CD1 4.48Å; W53-L94 HydrophobicContact CD2-CD2 4.08Å; W53-L94 HydrophobicContact CD2-CG 4.39Å; W53-L94 HydrophobicContact CE3-CB 4.47Å; W53-L94 HydrophobicContact CE3-CD2 4.12Å; W53-L94 HydrophobicContact CG-CB 4.21Å; W53-L94 HydrophobicContact CG-CD1 4Å; W53-L94 HydrophobicContact CG-CD2 4.3Å; W53-L94 HydrophobicContact CG-CG 4.41Å; W53-L94 HydrophobicContact CH2-CB 4.39Å; W53-L94 HydrophobicContact CZ2-CB 3.8Å; W53-F108 CarbonylContact C-O 3.55Å; W53-F108 WeakPolarHBondContact CA-O 3.39Å; W53-F108 VanDerWaalsContact CE3-C 3.44Å; W53-C109 HydrophobicContact CD2-CB 4.08Å; W53-C109 HydrophobicContact CE3-CB 4.06Å; W53-C109 HydrophobicContact CH2-CB 3.85Å; W53-C109 HydrophobicContact CZ2-CB 3.85Å; W53-C109 HydrophobicContact CZ3-CB 3.94Å
54	Y	98	Very high	94.7	Very high	70 Å²	70	65.6 Å²	65.6	28%	0.275	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.6	173.8	-61.8	-96	0	0	0	109.5	L62 Q63 F64 Y107 F108 A110	Y54-L62 HydrophobicContact CD1-CD2 4.03Å; Y54-L62 HydrophobicContact CD1-CG 4.05Å; Y54-L62 HydrophobicContact CG-CD1 4.43Å; Y54-L62 HydrophobicContact CG-CD2 4.07Å; Y54-L62 HydrophobicContact CG-CG 4.16Å; Y54-Q63 CarbonylContact C-O 3.49Å; Y54-Q63 WeakPolarHBondContact CA-O 3.41Å; Y54-Q63 WeakPolarHBondContact CB-O 3.36Å; Y54-F64 HydrophobicContact CD1-CB 4.38Å; Y54-F64 HydrophobicContact CD1-CD2 4.44Å; Y54-F64 HydrophobicContact CE1-CB 4.29Å; Y54-F64 AromaticContact CE1-CD2 3.94Å; Y54-F64 HydrophobicContact CE1-CD2 3.94Å; Y54-Y107 CarbonylContact O-C 3.47Å; Y54-Y107 WeakPolarHBondContact O-CA 3.33Å; Y54-F108 PolarHBondContact N-O 3.01Å; Y54-F108 PolarHBondContact O-N 3.21Å; Y54-A110 HydrophobicContact CD2-CB 4.45Å; Y54-A110 HydrophobicContact CE2-CB 4.05Å
55	I	97.7	Very high	94.9	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.056	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.4	177.2	-172.3	174	0	0	0	109.5	H57 Q63 A105 V106 Y107	I55-H57 VanDerWaalsContact CD1-CE1 3.49Å; I55-H57 WeakPolarHBondContact CD1-CE1 3.24Å; I55-Q63 HydrophobicContact CG2-CB 3.91Å; I55-Q63 PolarHBondContact N-O 3.49Å; I55-Q63 PolarHBondContact O-N 3.41Å; I55-A105 HydrophobicContact CD1-CB 3.83Å; I55-A105 HydrophobicContact CG1-CB 3.56Å; I55-V106 CarbonylContact C-O 3.58Å; I55-Y107 HydrophobicContact CB-CD1 4.23Å; I55-Y107 HydrophobicContact CB-CE1 4.11Å; I55-Y107 HydrophobicContact CD1-CD1 4.46Å; I55-Y107 HydrophobicContact CD1-CE1 3.59Å; I55-Y107 HydrophobicContact CD1-CE2 4.34Å; I55-Y107 VanDerWaalsContact CD1-OH 3.31Å; I55-Y107 WeakPolarHBondContact CD1-OH 3.29Å; I55-Y107 HydrophobicContact CG1-CD1 4.18Å; I55-Y107 HydrophobicContact CG1-CE1 3.79Å; I55-Y107 HydrophobicContact CG1-CE2 4.42Å
56	Q	97.8	Very high	95.2	Very high	72 Å²	72	59.7 Å²	59.7	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	104.5	174.4	-173.4	176.2	37.8	0	0	110	H60 L62 A105 V106 F108	Q56-H60 PolarHBondContact NE2-O 2.64Å; Q56-L62 HydrophobicContact CB-CD1 4.09Å; Q56-A105 WeakPolarHBondContact O-CB 3.39Å; Q56-V106 HydrophobicContact CB-CB 4.5Å; Q56-V106 PolarHBondContact N-O 2.9Å; Q56-V106 PolarHBondContact O-N 3.49Å; Q56-F108 HydrophobicContact CB-CD2 4.48Å; Q56-F108 HydrophobicContact CB-CE2 3.87Å
57	H	96.6	Very high	95.8	Very high	50 Å²	50	58.8 Å²	58.8	23%	0.231	32%	0.324	C	S	.	.			trans	-71.7	152.5	169.3	-64.1	94.9	0	0	0	111.2	I55 G59 H60 S102	I55-H57 VanDerWaalsContact CD1-CE1 3.49Å; I55-H57 WeakPolarHBondContact CD1-CE1 3.24Å; H57-G59 PolarHBondContact O-N 3.34Å; H57-H60 HydrophobicContact CB-CB 4.14Å; H57-H60 PolarHBondContact O-N 2.82Å; H57-S102 PolarHBondContact NE2-O 3.1Å
58	H	94.4	Very high	96.3	Very high	186 Å²	186	58.7 Å²	58.7	86%	0.861	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	121.5	179.2	-180	-84.2	0	0	0	111.7	H60	H58-H60 VanDerWaalsContact C-N 3.28Å; H58-H60 PolarHBondContact O-CD2 2.95Å; H58-H60 VanDerWaalsContact O-CD2 3.27Å; H58-H60 PolarHBondContact O-N 2.89Å
59	G	95.8	Very high	96.5	Very high	78 Å²	78	60.8 Å²	60.8	80%	0.804	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	2.5	-179.1	0	0	0	0	0	115	H57	H57-G59 PolarHBondContact O-N 3.34Å
60	H	95.6	Very high	96.6	Very high	115 Å²	115	64.2 Å²	64.2	53%	0.532	33%	0.334	S	S	.	.	S	Bend	trans	-108.3	161	176.2	-64	-98.8	0	0	0	111.6	Q56 H57 H58	Q56-H60 PolarHBondContact NE2-O 2.64Å; H57-H60 HydrophobicContact CB-CB 4.14Å; H57-H60 PolarHBondContact O-N 2.82Å; H58-H60 VanDerWaalsContact C-N 3.28Å; H58-H60 PolarHBondContact O-CD2 2.95Å; H58-H60 VanDerWaalsContact O-CD2 3.27Å; H58-H60 PolarHBondContact O-N 2.89Å
61	G	97.2	Very high	96.6	Very high	51 Å²	51	62.7 Å²	62.7	53%	0.526	35%	0.347	S	S	.	.			trans	-70.9	166.7	171.5	0	0	0	0	0	112.5	Q63	G61-Q63 PolarHBondContact O-N 2.81Å
62	L	97.7	Very high	96.5	Very high	97 Å²	97	68 Å²	68	51%	0.508	38%	0.375	S	S	.	.			trans	-65.2	129.5	174.5	-167.9	69.1	0	0	0	110.4	Y54 Q56 F108	Y54-L62 HydrophobicContact CD1-CD2 4.03Å; Y54-L62 HydrophobicContact CD1-CG 4.05Å; Y54-L62 HydrophobicContact CG-CD1 4.43Å; Y54-L62 HydrophobicContact CG-CD2 4.07Å; Y54-L62 HydrophobicContact CG-CG 4.16Å; Q56-L62 HydrophobicContact CB-CD1 4.09Å; L62-F108 HydrophobicContact CD1-CD2 3.47Å; L62-F108 VanDerWaalsContact CD1-CD2 3.47Å; L62-F108 HydrophobicContact CD1-CE2 3.89Å; L62-F108 HydrophobicContact CD1-CG 4.32Å
63	Q	97.7	Very high	96.4	Very high	89 Å²	89	70.3 Å²	70.3	42%	0.416	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.2	-179.2	-63.4	176.4	8.3	0	0	110.5	Y54 I55 G61	Y54-Q63 CarbonylContact C-O 3.49Å; Y54-Q63 WeakPolarHBondContact CA-O 3.41Å; Y54-Q63 WeakPolarHBondContact CB-O 3.36Å; I55-Q63 HydrophobicContact CG2-CB 3.91Å; I55-Q63 PolarHBondContact N-O 3.49Å; I55-Q63 PolarHBondContact O-N 3.41Å; G61-Q63 PolarHBondContact O-N 2.81Å
64	F	97.4	Very high	96.4	Very high	110 Å²	110	72.5 Å²	72.5	48%	0.482	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132	175.5	177.5	-103	0	0	0	110.8	Y54 L66 K67	Y54-F64 HydrophobicContact CD1-CB 4.38Å; Y54-F64 HydrophobicContact CD1-CD2 4.44Å; Y54-F64 HydrophobicContact CE1-CB 4.29Å; Y54-F64 AromaticContact CE1-CD2 3.94Å; Y54-F64 HydrophobicContact CE1-CD2 3.94Å; F64-L66 WeakPolarHBondContact CE2-O 3.35Å; F64-K67 HydrophobicContact CE2-CB 3.69Å; F64-K67 HydrophobicContact CE2-CD 4.49Å; F64-K67 HydrophobicContact CZ-CB 3.52Å
65	L	97.8	Very high	96.4	Very high	8 Å²	8	70.3 Å²	70.3	4%	0.042	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-56.7	179	-175.7	62.5	0	0	0	112.2	W53 V78 F81 L94 Y107	W53-L65 HydrophobicContact CB-CB 4.31Å; W53-L65 HydrophobicContact CB-CD2 4.23Å; W53-L65 VanDerWaalsContact O-CB 3.31Å; W53-L65 WeakPolarHBondContact O-CB 3.34Å; W53-L65 PolarHBondContact O-N 2.75Å; L65-V78 HydrophobicContact CD1-CB 4.24Å; L65-F81 HydrophobicContact CD1-CB 4.24Å; L65-F81 HydrophobicContact CD1-CD2 4.06Å; L65-F81 HydrophobicContact CD1-CG 4.34Å; L65-F81 HydrophobicContact CD2-CB 4.13Å; L65-F81 HydrophobicContact CD2-CD1 4.42Å; L65-F81 HydrophobicContact CD2-CD2 4.36Å; L65-F81 HydrophobicContact CD2-CG 4.05Å; L65-F81 HydrophobicContact CG-CB 4.37Å; L65-L94 HydrophobicContact CD2-CD1 3.83Å; L65-L94 HydrophobicContact CD2-CD2 3.67Å; L65-L94 HydrophobicContact CD2-CG 4.4Å; L65-Y107 HydrophobicContact CD2-CD1 4.07Å; L65-Y107 HydrophobicContact CD2-CE1 3.95Å
66	L	98.1	Very high	96.4	Very high	4 Å²	4	75.6 Å²	75.6	2%	0.021	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	165.2	-180	57.9	78.4	0	0	0	111.9	S52 W53 F64 V75 A83 F92 L94	S52-L66 WeakPolarHBondContact CA-O 3.31Å; W53-L66 HydrophobicContact CB-CD1 4.09Å; W53-L66 HydrophobicContact CB-CG 4.26Å; W53-L66 HydrophobicContact CG-CD1 4.37Å; W53-L66 PolarHBondContact N-O 3.33Å; W53-L66 PolarHBondContact O-N 3.4Å; F64-L66 WeakPolarHBondContact CE2-O 3.35Å; L66-V75 HydrophobicContact CB-CG1 4.15Å; L66-A83 HydrophobicContact CD1-CB 3.6Å; L66-A83 HydrophobicContact CD2-CB 4.1Å; L66-F92 HydrophobicContact CD1-CE1 3.62Å; L66-F92 HydrophobicContact CD1-CZ 3.49Å; L66-F92 VanDerWaalsContact CD1-CZ 3.49Å; L66-L94 HydrophobicContact CD1-CD1 4.47Å; L66-L94 HydrophobicContact CD2-CD1 3.65Å; L66-L94 HydrophobicContact CG-CD1 4.21Å
67	K	97.5	Very high	96.3	Very high	44 Å²	44	73.4 Å²	73.4	19%	0.191	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	136.5	179.9	179	164.9	-178.8	177.3	0	113.1	L51 S52 F64 Y69 V75	L51-K67 CarbonylContact O-C 3.56Å; L51-K67 VanDerWaalsContact O-CA 3.31Å; L51-K67 WeakPolarHBondContact O-CA 3.38Å; L51-K67 WeakPolarHBondContact O-CG 3.44Å; S52-K67 VanDerWaalsContact OG-CD 3.23Å; S52-K67 WeakPolarHBondContact OG-CD 3.19Å; S52-K67 WeakPolarHBondContact OG-CG 3.36Å; F64-K67 HydrophobicContact CE2-CB 3.69Å; F64-K67 HydrophobicContact CE2-CD 4.49Å; F64-K67 HydrophobicContact CZ-CB 3.52Å; K67-Y69 HydrophobicContact CB-CD2 4.5Å; K67-Y69 HydrophobicContact CB-CE2 3.94Å; K67-Y69 HydrophobicContact CD-CD1 4.38Å; K67-Y69 HydrophobicContact CD-CE1 3.67Å; K67-Y69 HydrophobicContact CD-CE2 3.96Å; K67-Y69 VanDerWaalsContact CD-CZ 3.44Å; K67-Y69 WeakPolarHBondContact CD-OH 3.2Å; K67-Y69 VanDerWaalsContact CE-CE1 3.45Å; K67-Y69 HydrophobicContact CG-CD1 4.47Å; K67-Y69 HydrophobicContact CG-CD2 4.13Å; K67-Y69 HydrophobicContact CG-CE1 4.15Å; K67-Y69 HydrophobicContact CG-CE2 3.78Å; K67-Y69 HydrophobicContact CG-CG 4.49Å; K67-V75 WeakPolarHBondContact O-CG1 3.5Å
68	Y	97.4	Very high	96.2	Very high	29 Å²	29	74.9 Å²	74.9	11%	0.114	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.6	167	179.6	-101.4	0	0	0	111	L51 N72 V75 F85	L51-Y68 PolarHBondContact O-N 3.36Å; Y68-N72 WeakPolarHBondContact CE2-O 3.38Å; Y68-V75 HydrophobicContact CD2-CG2 3.87Å; Y68-V75 HydrophobicContact CG-CG2 4.42Å; Y68-F85 HydrophobicContact CD1-CB 4.08Å; Y68-F85 AromaticContact CD1-CD1 3.99Å; Y68-F85 HydrophobicContact CD1-CD1 3.99Å; Y68-F85 AromaticContact CD1-CD2 3.97Å; Y68-F85 HydrophobicContact CD1-CD2 3.97Å; Y68-F85 HydrophobicContact CD1-CE1 4.42Å; Y68-F85 HydrophobicContact CD1-CE2 4.41Å; Y68-F85 AromaticContact CD1-CG 3.72Å; Y68-F85 HydrophobicContact CD1-CG 3.72Å; Y68-F85 HydrophobicContact CD2-CB 3.71Å; Y68-F85 HydrophobicContact CD2-CD1 4.37Å; Y68-F85 HydrophobicContact CD2-CG 4.15Å; Y68-F85 HydrophobicContact CE1-CB 4.27Å; Y68-F85 AromaticContact CE1-CD1 3.38Å; Y68-F85 HydrophobicContact CE1-CD1 3.38Å; Y68-F85 HydrophobicContact CE1-CD2 4.09Å; Y68-F85 AromaticContact CE1-CE1 3.6Å; Y68-F85 HydrophobicContact CE1-CE1 3.6Å; Y68-F85 HydrophobicContact CE1-CE2 4.28Å; Y68-F85 AromaticContact CE1-CG 3.63Å; Y68-F85 HydrophobicContact CE1-CG 3.63Å; Y68-F85 HydrophobicContact CE1-CZ 4.05Å; Y68-F85 HydrophobicContact CE2-CB 3.92Å; Y68-F85 AromaticContact CE2-CD1 3.82Å; Y68-F85 HydrophobicContact CE2-CD1 3.82Å; Y68-F85 HydrophobicContact CE2-CG 4.07Å; Y68-F85 HydrophobicContact CG-CB 3.79Å; Y68-F85 HydrophobicContact CG-CD1 4.44Å; Y68-F85 HydrophobicContact CG-CD2 4.46Å; Y68-F85 AromaticContact CG-CG 3.98Å; Y68-F85 HydrophobicContact CG-CG 3.98Å; Y68-F85 AromaticContact CZ-CD1 3.27Å; Y68-F85 AromaticContact CZ-CE1 3.75Å; Y68-F85 AromaticContact CZ-CG 3.81Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.36Å
69	Y	91.9	Very high	96.2	Very high	140 Å²	140	71.4 Å²	71.4	55%	0.549	42%	0.418	S	S	.	.			trans	-116.8	-56.8	175.9	-66.7	-84.7	0	0	0	112.4	Y50 K67	Y50-Y69 AromaticContact CD1-CD1 3.87Å; Y50-Y69 HydrophobicContact CD1-CD1 3.87Å; Y50-Y69 HydrophobicContact CE1-CD1 4.03Å; K67-Y69 HydrophobicContact CB-CD2 4.5Å; K67-Y69 HydrophobicContact CB-CE2 3.94Å; K67-Y69 HydrophobicContact CD-CD1 4.38Å; K67-Y69 HydrophobicContact CD-CE1 3.67Å; K67-Y69 HydrophobicContact CD-CE2 3.96Å; K67-Y69 VanDerWaalsContact CD-CZ 3.44Å; K67-Y69 WeakPolarHBondContact CD-OH 3.2Å; K67-Y69 VanDerWaalsContact CE-CE1 3.45Å; K67-Y69 HydrophobicContact CG-CD1 4.47Å; K67-Y69 HydrophobicContact CG-CD2 4.13Å; K67-Y69 HydrophobicContact CG-CE1 4.15Å; K67-Y69 HydrophobicContact CG-CE2 3.78Å; K67-Y69 HydrophobicContact CG-CG 4.49Å
70	S	92.1	Very high	96.3	Very high	97 Å²	97	70.1 Å²	70.1	68%	0.678	41%	0.405	S	S	*	.	S	Bend	trans	-173.6	169.4	177.3	59.5	0	0	0	0	109.3
71	G	93.6	Very high	96.4	Very high	62 Å²	62	64.8 Å²	64.8	64%	0.639	38%	0.381	S	S	*	.	S	Bend	trans	85.1	-123.1	176	0	0	0	0	0	112.1
72	N	95.8	Very high	96.5	Very high	111 Å²	111	65.6 Å²	65.6	59%	0.594	37%	0.371	S	S	*	.			trans	-60.1	123.4	-175.4	-171.3	-16.3	0	0	0	110.3	Y68 V74	Y68-N72 WeakPolarHBondContact CE2-O 3.38Å; N72-V74 PolarHBondContact O-N 2.9Å; N72-V74 PolarHBondContact OD1-N 2.92Å
73	P	96.6	Very high	96.5	Very high	52 Å²	52	61 Å²	61	34%	0.338	35%	0.347	S	S	.	.	S	Bend	trans	-62.4	-29.8	176.8	25.2	-34.8	0	0	0	112.6	E84 F85	P73-E84 HydrophobicContact CB-CG 4.41Å; P73-E84 CarbonylContact O-C 3.57Å; P73-E84 WeakPolarHBondContact O-CA 3.37Å; P73-F85 HydrophobicContact CB-CB 4.43Å; P73-F85 VanDerWaalsContact CB-O 3.24Å; P73-F85 WeakPolarHBondContact CB-O 3.23Å; P73-F85 PolarHBondContact O-N 2.93Å
74	V	98	Very high	96.5	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.279	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.6	177.7	-175.3	0	0	0	0	110.1	N72 A83 E84	N72-V74 PolarHBondContact O-N 2.9Å; N72-V74 PolarHBondContact OD1-N 2.92Å; V74-A83 WeakPolarHBondContact CA-O 3.36Å; V74-E84 HydrophobicContact CG2-CB 4.3Å; V74-E84 HydrophobicContact CG2-CG 4Å
75	V	98	Very high	96.5	Very high	25 Å²	25	57.4 Å²	57.4	15%	0.152	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	179.1	-176.3	0	0	0	0	109.4	L66 K67 Y68 E82 A83 F92	L66-V75 HydrophobicContact CB-CG1 4.15Å; K67-V75 WeakPolarHBondContact O-CG1 3.5Å; Y68-V75 HydrophobicContact CD2-CG2 3.87Å; Y68-V75 HydrophobicContact CG-CG2 4.42Å; V75-E82 CarbonylContact O-C 3.56Å; V75-E82 WeakPolarHBondContact O-CA 3.31Å; V75-E82 WeakPolarHBondContact O-CB 3.42Å; V75-A83 PolarHBondContact N-O 2.92Å; V75-A83 PolarHBondContact O-N 2.95Å; V75-F92 HydrophobicContact CG2-CE2 4.31Å; V75-F92 HydrophobicContact CG2-CZ 4.4Å
76	Q	97.7	Very high	96.4	Very high	122 Å²	122	58 Å²	58	57%	0.57	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	134	173.8	-61.4	-62.1	-38.9	0	0	110.2	E82	Q76-E82 PolarHBondContact NE2-OE2 3.24Å
77	G	95.3	Very high	96.3	Very high	25 Å²	25	65.4 Å²	65.4	26%	0.258	37%	0.368	S	S	.	.			trans	-112	-167.4	176.9	0	0	0	0	0	113.1	F81	G77-F81 VanDerWaalsContact CA-O 3.31Å; G77-F81 WeakPolarHBondContact CA-O 3.41Å; G77-F81 PolarHBondContact N-O 3.22Å
78	V	94.2	Very high	96.1	Very high	81 Å²	81	68.3 Å²	68.3	49%	0.491	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-77.6	151.1	178.2	-173.3	0	0	0	0	110.2	L65 G80 F81	L65-V78 HydrophobicContact CD1-CB 4.24Å; V78-G80 VanDerWaalsContact C-N 3.27Å; V78-G80 PolarHBondContact O-N 3.27Å; V78-F81 WeakPolarHBondContact O-CD2 3.46Å; V78-F81 PolarHBondContact O-N 2.74Å
79	N	94.7	Very high	96.1	Very high	113 Å²	113	72.2 Å²	72.2	60%	0.604	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	57.2	32.7	174.4	-60	-24.3	0	0	0	114.8	F81 K96	N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD2 4.46Å; N79-F81 PolarHBondContact O-N 3.05Å; N79-K96 WeakPolarHBondContact O-CE 3.38Å; N79-K96 PolarHBondContact O-NZ 2.9Å
80	G	97.2	Very high	96.3	Very high	51 Å²	51	67.8 Å²	67.8	53%	0.526	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	74.5	13.8	175.9	0	0	0	0	0	114.6	V78	V78-G80 VanDerWaalsContact C-N 3.27Å; V78-G80 PolarHBondContact O-N 3.27Å
81	F	98.4	Very high	96.5	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.6	165.1	-77.5	-79.8	0	0	0	110.4	L65 G77 V78 N79 L94 R95 K96 D103 Y107	L65-F81 HydrophobicContact CD1-CB 4.24Å; L65-F81 HydrophobicContact CD1-CD2 4.06Å; L65-F81 HydrophobicContact CD1-CG 4.34Å; L65-F81 HydrophobicContact CD2-CB 4.13Å; L65-F81 HydrophobicContact CD2-CD1 4.42Å; L65-F81 HydrophobicContact CD2-CD2 4.36Å; L65-F81 HydrophobicContact CD2-CG 4.05Å; L65-F81 HydrophobicContact CG-CB 4.37Å; G77-F81 VanDerWaalsContact CA-O 3.31Å; G77-F81 WeakPolarHBondContact CA-O 3.41Å; G77-F81 PolarHBondContact N-O 3.22Å; V78-F81 WeakPolarHBondContact O-CD2 3.46Å; V78-F81 PolarHBondContact O-N 2.74Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD2 4.46Å; N79-F81 PolarHBondContact O-N 3.05Å; F81-L94 HydrophobicContact CB-CD1 4.15Å; F81-L94 HydrophobicContact CD1-CD1 4.15Å; F81-L94 HydrophobicContact CD1-CD2 3.84Å; F81-L94 HydrophobicContact CD1-CG 3.85Å; F81-L94 HydrophobicContact CE1-CD2 4.18Å; F81-R95 WeakPolarHBondContact CA-O 3.44Å; F81-K96 HydrophobicContact CD1-CB 3.71Å; F81-K96 HydrophobicContact CD1-CD 4.1Å; F81-K96 HydrophobicContact CD1-CG 4.46Å; F81-K96 HydrophobicContact CD2-CD 3.92Å; F81-K96 HydrophobicContact CE1-CB 3.65Å; F81-K96 HydrophobicContact CE1-CD 3.77Å; F81-K96 HydrophobicContact CE1-CG 4.35Å; F81-K96 HydrophobicContact CE2-CD 3.57Å; F81-K96 HydrophobicContact CG-CB 4.36Å; F81-K96 HydrophobicContact CG-CD 4.16Å; F81-K96 HydrophobicContact CZ-CB 4.24Å; F81-K96 HydrophobicContact CZ-CD 3.46Å; F81-K96 VanDerWaalsContact CZ-CD 3.46Å; F81-K96 HydrophobicContact CZ-CG 4.49Å; F81-D103 HydrophobicContact CE2-CB 4.43Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.02Å; F81-D103 HydrophobicContact CZ-CB 4.09Å; F81-Y107 AromaticContact CE1-CE1 3.98Å; F81-Y107 HydrophobicContact CE1-CE1 3.98Å; F81-Y107 HydrophobicContact CE2-CE1 4.28Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.18Å; F81-Y107 AromaticContact CZ-CE1 3.85Å; F81-Y107 HydrophobicContact CZ-CE1 3.85Å; F81-Y107 AromaticContact CZ-CZ 3.7Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.36Å
82	E	98.5	Very high	96.7	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.8	170.8	65	-178.1	-167.7	0	0	110	V75 Q76 L94 R95	V75-E82 CarbonylContact O-C 3.56Å; V75-E82 WeakPolarHBondContact O-CA 3.31Å; V75-E82 WeakPolarHBondContact O-CB 3.42Å; Q76-E82 PolarHBondContact NE2-OE2 3.24Å; E82-L94 CarbonylContact O-C 3.51Å; E82-L94 WeakPolarHBondContact O-CA 3.48Å; E82-R95 HydrophobicContact CG-CB 4.15Å; E82-R95 PolarHBondContact N-O 2.85Å; E82-R95 PolarHBondContact O-N 3.36Å
83	A	98.5	Very high	96.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144	171.7	0	0	0	0	0	110.8	L66 V74 V75 F92 H93 L94	L66-A83 HydrophobicContact CD1-CB 3.6Å; L66-A83 HydrophobicContact CD2-CB 4.1Å; V74-A83 WeakPolarHBondContact CA-O 3.36Å; V75-A83 PolarHBondContact N-O 2.92Å; V75-A83 PolarHBondContact O-N 2.95Å; A83-F92 HydrophobicContact CB-CD1 4.35Å; A83-F92 HydrophobicContact CB-CD2 3.97Å; A83-F92 HydrophobicContact CB-CE1 3.98Å; A83-F92 HydrophobicContact CB-CE2 3.54Å; A83-F92 HydrophobicContact CB-CG 4.37Å; A83-F92 HydrophobicContact CB-CZ 3.56Å; A83-H93 WeakPolarHBondContact CA-O 3.4Å; A83-H93 WeakPolarHBondContact CB-O 3.24Å; A83-L94 HydrophobicContact CB-CD1 4.21Å
84	E	97.7	Very high	96.9	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.453	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	179.5	-175	175.5	-174.8	0	0	110.6	P73 V74 F92 H93	P73-E84 HydrophobicContact CB-CG 4.41Å; P73-E84 CarbonylContact O-C 3.57Å; P73-E84 WeakPolarHBondContact O-CA 3.37Å; V74-E84 HydrophobicContact CG2-CB 4.3Å; V74-E84 HydrophobicContact CG2-CG 4Å; E84-F92 WeakPolarHBondContact O-CA 3.44Å; E84-H93 PolarHBondContact N-O 2.96Å
85	F	97.4	Very high	96.9	Very high	27 Å²	27	57.6 Å²	57.6	12%	0.118	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.8	172.9	171.5	-109.1	0	0	0	110.8	Y43 L51 Y68 P73 K87 F92	Y43-F85 HydrophobicContact CE1-CD2 4.4Å; Y43-F85 AromaticContact CE1-CE2 3.86Å; Y43-F85 HydrophobicContact CE1-CE2 3.86Å; Y43-F85 AromaticContact CZ-CE2 3.99Å; L51-F85 HydrophobicContact CD1-CD2 3.73Å; L51-F85 HydrophobicContact CD1-CE2 3.87Å; Y68-F85 HydrophobicContact CD1-CB 4.08Å; Y68-F85 AromaticContact CD1-CD1 3.99Å; Y68-F85 HydrophobicContact CD1-CD1 3.99Å; Y68-F85 AromaticContact CD1-CD2 3.97Å; Y68-F85 HydrophobicContact CD1-CD2 3.97Å; Y68-F85 HydrophobicContact CD1-CE1 4.42Å; Y68-F85 HydrophobicContact CD1-CE2 4.41Å; Y68-F85 AromaticContact CD1-CG 3.72Å; Y68-F85 HydrophobicContact CD1-CG 3.72Å; Y68-F85 HydrophobicContact CD2-CB 3.71Å; Y68-F85 HydrophobicContact CD2-CD1 4.37Å; Y68-F85 HydrophobicContact CD2-CG 4.15Å; Y68-F85 HydrophobicContact CE1-CB 4.27Å; Y68-F85 AromaticContact CE1-CD1 3.38Å; Y68-F85 HydrophobicContact CE1-CD1 3.38Å; Y68-F85 HydrophobicContact CE1-CD2 4.09Å; Y68-F85 AromaticContact CE1-CE1 3.6Å; Y68-F85 HydrophobicContact CE1-CE1 3.6Å; Y68-F85 HydrophobicContact CE1-CE2 4.28Å; Y68-F85 AromaticContact CE1-CG 3.63Å; Y68-F85 HydrophobicContact CE1-CG 3.63Å; Y68-F85 HydrophobicContact CE1-CZ 4.05Å; Y68-F85 HydrophobicContact CE2-CB 3.92Å; Y68-F85 AromaticContact CE2-CD1 3.82Å; Y68-F85 HydrophobicContact CE2-CD1 3.82Å; Y68-F85 HydrophobicContact CE2-CG 4.07Å; Y68-F85 HydrophobicContact CG-CB 3.79Å; Y68-F85 HydrophobicContact CG-CD1 4.44Å; Y68-F85 HydrophobicContact CG-CD2 4.46Å; Y68-F85 AromaticContact CG-CG 3.98Å; Y68-F85 HydrophobicContact CG-CG 3.98Å; Y68-F85 AromaticContact CZ-CD1 3.27Å; Y68-F85 AromaticContact CZ-CE1 3.75Å; Y68-F85 AromaticContact CZ-CG 3.81Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.36Å; P73-F85 HydrophobicContact CB-CB 4.43Å; P73-F85 VanDerWaalsContact CB-O 3.24Å; P73-F85 WeakPolarHBondContact CB-O 3.23Å; P73-F85 PolarHBondContact O-N 2.93Å; F85-K87 HydrophobicContact CE1-CB 4.01Å; F85-K87 HydrophobicContact CZ-CB 3.86Å; F85-K87 HydrophobicContact CZ-CG 4.41Å; F85-F92 HydrophobicContact CB-CD2 3.97Å; F85-F92 HydrophobicContact CB-CE2 4.24Å
86	S	96.6	Very high	96.9	Very high	19 Å²	19	57.1 Å²	57.1	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.4	170.5	178.8	0	0	0	0	110.6	S88 D89 S90 S91	S86-S88 PolarHBondContact OG-OG 2.84Å; S86-D89 WeakPolarHBondContact OG-CB 3.31Å; S86-D89 VanDerWaalsContact OG-CG 3.28Å; S86-D89 PolarHBondContact OG-N 2.79Å; S86-D89 PolarHBondContact OG-OD2 2.81Å; S86-S90 WeakPolarHBondContact O-CA 3.45Å; S86-S90 PolarHBondContact O-N 3.48Å; S86-S91 WeakPolarHBondContact CB-OG 3.48Å; S86-S91 PolarHBondContact N-O 3.19Å; S86-S91 PolarHBondContact O-N 2.64Å
87	K	94.2	Very high	97	Very high	160 Å²	160	55.4 Å²	55.4	70%	0.696	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-36	174.8	-172.1	174.2	-178.7	175.8	0	112.4	F85 S90	F85-K87 HydrophobicContact CE1-CB 4.01Å; F85-K87 HydrophobicContact CZ-CB 3.86Å; F85-K87 HydrophobicContact CZ-CG 4.41Å; K87-S90 PolarHBondContact O-N 2.81Å
88	S	94.7	Very high	97.1	Very high	105 Å²	105	56.7 Å²	56.7	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.6	-179.8	45.4	0	0	0	0	111.8	S86	S86-S88 PolarHBondContact OG-OG 2.84Å
89	D	96.1	Very high	97.3	Very high	112 Å²	112	53.4 Å²	53.4	60%	0.599	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3	-178.8	-49.4	-48.3	0	0	0	112.3	S86 S91	S86-D89 WeakPolarHBondContact OG-CB 3.31Å; S86-D89 VanDerWaalsContact OG-CG 3.28Å; S86-D89 PolarHBondContact OG-N 2.79Å; S86-D89 PolarHBondContact OG-OD2 2.81Å; D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 2.96Å
90	S	96.3	Very high	97.4	Very high	46 Å²	46	52.6 Å²	52.6	32%	0.322	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	49	-173.9	-56.6	0	0	0	0	111.8	N42 Y43 S86 K87	N42-S90 CarbonylContact C-O 3.57Å; N42-S90 VanDerWaalsContact CA-O 3.25Å; N42-S90 WeakPolarHBondContact CA-O 3.08Å; Y43-S90 VanDerWaalsContact CD1-O 3.24Å; Y43-S90 WeakPolarHBondContact CD1-O 3.04Å; Y43-S90 VanDerWaalsContact CE1-CA 3.45Å; Y43-S90 PolarHBondContact N-O 3.21Å; Y43-S90 WeakPolarHBondContact O-CB 3.4Å; S86-S90 WeakPolarHBondContact O-CA 3.45Å; S86-S90 PolarHBondContact O-N 3.48Å; K87-S90 PolarHBondContact O-N 2.81Å
91	S	97.6	Very high	97.3	Very high	8 Å²	8	58.5 Å²	58.5	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.1	-170.5	76.5	0	0	0	0	114.1	C41 N42 S86 D89 H93	C41-S91 WeakPolarHBondContact O-CA 3.19Å; N42-S91 WeakPolarHBondContact OD1-CB 3.07Å; S86-S91 WeakPolarHBondContact CB-OG 3.48Å; S86-S91 PolarHBondContact N-O 3.19Å; S86-S91 PolarHBondContact O-N 2.64Å; D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 2.96Å; S91-H93 WeakPolarHBondContact CB-CE1 3.41Å
92	F	97.9	Very high	97.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	67.8	173.9	-170.2	-126.6	0	0	0	110.6	C41 L51 W53 L66 V75 A83 E84 F85	C41-F92 PolarHBondContact O-N 3.46Å; L51-F92 HydrophobicContact CB-CB 4.02Å; L51-F92 HydrophobicContact CB-CD1 3.44Å; L51-F92 VanDerWaalsContact CB-CD1 3.44Å; L51-F92 HydrophobicContact CB-CD2 4.41Å; L51-F92 HydrophobicContact CB-CE1 3.87Å; L51-F92 HydrophobicContact CB-CG 3.72Å; L51-F92 HydrophobicContact CD1-CB 3.81Å; L51-F92 HydrophobicContact CD1-CG 4.28Å; L51-F92 HydrophobicContact CG-CB 4.32Å; L51-F92 WeakPolarHBondContact O-CE1 3.47Å; W53-F92 AromaticContact CD1-CD1 3.48Å; W53-F92 VanDerWaalsContact CD1-CD1 3.48Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.53Å; W53-F92 PolarHBondContact NE1-O 3.07Å; L66-F92 HydrophobicContact CD1-CE1 3.62Å; L66-F92 HydrophobicContact CD1-CZ 3.49Å; L66-F92 VanDerWaalsContact CD1-CZ 3.49Å; V75-F92 HydrophobicContact CG2-CE2 4.31Å; V75-F92 HydrophobicContact CG2-CZ 4.4Å; A83-F92 HydrophobicContact CB-CD1 4.35Å; A83-F92 HydrophobicContact CB-CD2 3.97Å; A83-F92 HydrophobicContact CB-CE1 3.98Å; A83-F92 HydrophobicContact CB-CE2 3.54Å; A83-F92 HydrophobicContact CB-CG 4.37Å; A83-F92 HydrophobicContact CB-CZ 3.56Å; E84-F92 WeakPolarHBondContact O-CA 3.44Å; F85-F92 HydrophobicContact CB-CD2 3.97Å; F85-F92 HydrophobicContact CB-CE2 4.24Å
93	H	98.2	Very high	97.1	Very high	39 Å²	39	59.6 Å²	59.6	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.7	-173.9	-59.3	-11.4	0	0	0	111	E38 L39 C41 N42 A83 E84 S91	E38-H93 HydrophobicContact CG-CB 4.13Å; E38-H93 IonicContact OE1-CD2 3.33Å; L39-H93 WeakPolarHBondContact O-CA 3.49Å; C41-H93 PolarHBondContact N-ND1 2.8Å; C41-H93 PolarHBondContact O-CE1 2.8Å; C41-H93 PolarHBondContact O-ND1 2.79Å; C41-H93 VanDerWaalsContact O-ND1 3.1Å; N42-H93 PolarHBondContact OD1-CE1 2.8Å; A83-H93 WeakPolarHBondContact CA-O 3.4Å; A83-H93 WeakPolarHBondContact CB-O 3.24Å; E84-H93 PolarHBondContact N-O 2.96Å; S91-H93 WeakPolarHBondContact CB-CE1 3.41Å
94	L	98.3	Very high	97	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133	176.5	-173.9	72.9	0	0	0	109.4	E38 L39 W53 L65 L66 F81 E82 A83 Y107	E38-L94 CarbonylContact C-O 3.58Å; E38-L94 VanDerWaalsContact CA-O 3.27Å; E38-L94 WeakPolarHBondContact CA-O 3.02Å; L39-L94 HydrophobicContact CB-CB 4.33Å; L39-L94 HydrophobicContact CD1-CD2 4.26Å; L39-L94 PolarHBondContact N-O 3.21Å; L39-L94 PolarHBondContact O-N 2.96Å; W53-L94 HydrophobicContact CB-CD1 4.26Å; W53-L94 HydrophobicContact CD2-CB 3.9Å; W53-L94 HydrophobicContact CD2-CD1 4.48Å; W53-L94 HydrophobicContact CD2-CD2 4.08Å; W53-L94 HydrophobicContact CD2-CG 4.39Å; W53-L94 HydrophobicContact CE3-CB 4.47Å; W53-L94 HydrophobicContact CE3-CD2 4.12Å; W53-L94 HydrophobicContact CG-CB 4.21Å; W53-L94 HydrophobicContact CG-CD1 4Å; W53-L94 HydrophobicContact CG-CD2 4.3Å; W53-L94 HydrophobicContact CG-CG 4.41Å; W53-L94 HydrophobicContact CH2-CB 4.39Å; W53-L94 HydrophobicContact CZ2-CB 3.8Å; L65-L94 HydrophobicContact CD2-CD1 3.83Å; L65-L94 HydrophobicContact CD2-CD2 3.67Å; L65-L94 HydrophobicContact CD2-CG 4.4Å; L66-L94 HydrophobicContact CD1-CD1 4.47Å; L66-L94 HydrophobicContact CD2-CD1 3.65Å; L66-L94 HydrophobicContact CG-CD1 4.21Å; F81-L94 HydrophobicContact CB-CD1 4.15Å; F81-L94 HydrophobicContact CD1-CD1 4.15Å; F81-L94 HydrophobicContact CD1-CD2 3.84Å; F81-L94 HydrophobicContact CD1-CG 3.85Å; F81-L94 HydrophobicContact CE1-CD2 4.18Å; E82-L94 CarbonylContact O-C 3.51Å; E82-L94 WeakPolarHBondContact O-CA 3.48Å; A83-L94 HydrophobicContact CB-CD1 4.21Å; L94-Y107 HydrophobicContact CD2-CD1 3.52Å; L94-Y107 HydrophobicContact CD2-CE1 3.92Å; L94-Y107 HydrophobicContact CD2-CG 4.33Å
95	R	98.1	Very high	97	Very high	106 Å²	106	60.4 Å²	60.4	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151	-178	-54.6	174.8	83.7	105.9	13.5	110.5	V37 E38 F81 E82	V37-R95 VanDerWaalsContact O-CA 3.31Å; V37-R95 WeakPolarHBondContact O-CA 3.25Å; E38-R95 HydrophobicContact CB-CG 4.43Å; E38-R95 HydrophobicContact CG-CG 4.13Å; E38-R95 IonicContact OE2-CZ 3Å; E38-R95 IonicContact OE2-NE 3.7Å; E38-R95 IonicContact OE2-NH1 2.64Å; E38-R95 PolarHBondContact OE2-NH1 2.96Å; E38-R95 IonicContact OE2-NH2 3.01Å; E38-R95 PolarHBondContact OE2-NH2 2.95Å; F81-R95 WeakPolarHBondContact CA-O 3.44Å; E82-R95 HydrophobicContact CG-CB 4.15Å; E82-R95 PolarHBondContact N-O 2.85Å; E82-R95 PolarHBondContact O-N 3.36Å
96	K	98.3	Very high	97	Very high	15 Å²	15	62.9 Å²	62.9	7%	0.065	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	130.9	164.5	-177.9	166.1	-179.8	171.1	0	109	S36 V37 N79 F81 S98 D103	S36-K96 CarbonylContact C-O 3.52Å; S36-K96 VanDerWaalsContact CA-O 3.27Å; S36-K96 WeakPolarHBondContact CA-O 3.31Å; V37-K96 HydrophobicContact CG1-CB 4.08Å; V37-K96 PolarHBondContact N-O 3.41Å; V37-K96 PolarHBondContact O-N 3.25Å; N79-K96 WeakPolarHBondContact O-CE 3.38Å; N79-K96 PolarHBondContact O-NZ 2.9Å; F81-K96 HydrophobicContact CD1-CB 3.71Å; F81-K96 HydrophobicContact CD1-CD 4.1Å; F81-K96 HydrophobicContact CD1-CG 4.46Å; F81-K96 HydrophobicContact CD2-CD 3.92Å; F81-K96 HydrophobicContact CE1-CB 3.65Å; F81-K96 HydrophobicContact CE1-CD 3.77Å; F81-K96 HydrophobicContact CE1-CG 4.35Å; F81-K96 HydrophobicContact CE2-CD 3.57Å; F81-K96 HydrophobicContact CG-CB 4.36Å; F81-K96 HydrophobicContact CG-CD 4.16Å; F81-K96 HydrophobicContact CZ-CB 4.24Å; F81-K96 HydrophobicContact CZ-CD 3.46Å; F81-K96 VanDerWaalsContact CZ-CD 3.46Å; F81-K96 HydrophobicContact CZ-CG 4.49Å; K96-S98 WeakPolarHBondContact CE-O 3.39Å; K96-D103 WeakPolarHBondContact CE-OD2 3.44Å; K96-D103 IonicContact NZ-OD1 3.81Å; K96-D103 PolarHBondContact NZ-OD1 3.43Å; K96-D103 IonicContact NZ-OD2 2.79Å; K96-D103 PolarHBondContact NZ-OD2 2.91Å
97	A	98.2	Very high	97	Very high	86 Å²	86	63.2 Å²	63.2	71%	0.711	35%	0.351	S	S	*	.	S	Bend	trans	-72.8	-29.5	-174	0	0	0	0	0	113.6	S36	S36-A97 WeakPolarHBondContact CA-O 3.32Å; S36-A97 WeakPolarHBondContact CB-O 3.13Å
98	S	98.1	Very high	97.2	Very high	53 Å²	53	59.4 Å²	59.4	37%	0.371	34%	0.335	S	S	.	.	S	Bend	trans	-147.2	105.9	-180	-166.9	0	0	0	0	110.3	G34 D35 K96 H100	G34-S98 WeakPolarHBondContact CA-OG 3.27Å; G34-S98 PolarHBondContact O-OG 3Å; G34-S98 VanDerWaalsContact O-OG 3.14Å; D35-S98 CarbonylContact O-C 3.58Å; D35-S98 WeakPolarHBondContact O-CA 3.27Å; K96-S98 WeakPolarHBondContact CE-O 3.39Å; S98-H100 PolarHBondContact O-ND1 3.3Å
99	V	98	Very high	97.3	Very high	12 Å²	12	54.8 Å²	54.8	7%	0.073	30%	0.303	C	S	.	.			trans	-79.1	149.9	-178.4	-65.5	0	0	0	0	112.4	V31 F32 G34 D35 V37 D103	V31-V99 HydrophobicContact CB-CG2 4.46Å; V31-V99 HydrophobicContact CG2-CB 4.47Å; V31-V99 HydrophobicContact CG2-CG1 4.36Å; V31-V99 HydrophobicContact CG2-CG2 3.64Å; F32-V99 WeakPolarHBondContact O-CG2 3.4Å; G34-V99 PolarHBondContact N-O 3.07Å; D35-V99 HydrophobicContact CB-CG2 4.46Å; D35-V99 VanDerWaalsContact O-CG2 3.31Å; D35-V99 WeakPolarHBondContact O-CG2 3.46Å; D35-V99 PolarHBondContact O-N 2.85Å; V37-V99 HydrophobicContact CB-CG1 3.81Å; V37-V99 HydrophobicContact CG1-CG1 3.33Å; V99-D103 WeakPolarHBondContact CA-OD2 3.25Å
100	H	97.6	Very high	97.4	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.44	29%	0.288	S	S	.	.			trans	-121.9	159.8	175.8	-63	67.5	0	0	0	109.9	S98 S102 D103	S98-H100 PolarHBondContact O-ND1 3.3Å; H100-S102 PolarHBondContact O-N 3.25Å; H100-S102 VanDerWaalsContact O-N 3.09Å; H100-D103 PolarHBondContact N-OD2 2.74Å; H100-D103 VanDerWaalsContact O-CB 3.26Å; H100-D103 WeakPolarHBondContact O-CB 3.43Å; H100-D103 PolarHBondContact O-N 3.49Å
101	W	95.4	Very high	97.3	Very high	176 Å²	176	50 Å²	50	67%	0.667	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-53.8	-33.8	176.6	-64.9	106.2	0	0	0	113.7	E33 D103 S104	E33-W101 HydrophobicContact CB-CZ2 4.3Å; E33-W101 PolarHBondContact OE1-NE1 3.48Å; E33-W101 VanDerWaalsContact OE2-CD1 3.31Å; E33-W101 PolarHBondContact OE2-NE1 3.38Å; W101-D103 PolarHBondContact O-N 3.06Å; W101-S104 WeakPolarHBondContact O-CB 3.26Å; W101-S104 PolarHBondContact O-N 3.35Å; W101-S104 VanDerWaalsContact O-N 3.11Å; W101-S104 PolarHBondContact O-OG 3.01Å
102	S	95.2	Very high	97	Very high	80 Å²	80	52.9 Å²	52.9	56%	0.559	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.6	-13.2	176.8	57.5	0	0	0	0	114.6	H57 H100 S104	H57-S102 PolarHBondContact NE2-O 3.1Å; H100-S102 PolarHBondContact O-N 3.25Å; H100-S102 VanDerWaalsContact O-N 3.09Å; S102-S104 VanDerWaalsContact C-N 3.29Å
103	D	97	Very high	96.9	Very high	13 Å²	13	55.5 Å²	55.5	7%	0.07	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-84.1	-4.8	175.1	-58.6	-39.2	0	0	0	112.5	F81 K96 V99 H100 W101 A105 Y107	F81-D103 HydrophobicContact CE2-CB 4.43Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.02Å; F81-D103 HydrophobicContact CZ-CB 4.09Å; K96-D103 WeakPolarHBondContact CE-OD2 3.44Å; K96-D103 IonicContact NZ-OD1 3.81Å; K96-D103 PolarHBondContact NZ-OD1 3.43Å; K96-D103 IonicContact NZ-OD2 2.79Å; K96-D103 PolarHBondContact NZ-OD2 2.91Å; V99-D103 WeakPolarHBondContact CA-OD2 3.25Å; H100-D103 PolarHBondContact N-OD2 2.74Å; H100-D103 VanDerWaalsContact O-CB 3.26Å; H100-D103 WeakPolarHBondContact O-CB 3.43Å; H100-D103 PolarHBondContact O-N 3.49Å; W101-D103 PolarHBondContact O-N 3.06Å; D103-A105 PolarHBondContact O-N 3.31Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 3.16Å
104	S	96.4	Very high	96.9	Very high	83 Å²	83	56.4 Å²	56.4	58%	0.58	32%	0.321	S	S	*	.			trans	-67	102.8	176.9	-55.8	0	0	0	0	110.3	W101 S102	W101-S104 WeakPolarHBondContact O-CB 3.26Å; W101-S104 PolarHBondContact O-N 3.35Å; W101-S104 VanDerWaalsContact O-N 3.11Å; W101-S104 PolarHBondContact O-OG 3.01Å; S102-S104 VanDerWaalsContact C-N 3.29Å
105	A	96.9	Very high	96.8	Very high	33 Å²	33	59.4 Å²	59.4	27%	0.273	34%	0.339	S	S	.	.	S	Bend	trans	-161	173.6	-174.1	0	0	0	0	0	111.3	I55 Q56 D103 Y107	I55-A105 HydrophobicContact CD1-CB 3.83Å; I55-A105 HydrophobicContact CG1-CB 3.56Å; Q56-A105 WeakPolarHBondContact O-CB 3.39Å; D103-A105 PolarHBondContact O-N 3.31Å; A105-Y107 HydrophobicContact CB-CE2 3.94Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å
106	V	97.2	Very high	96.7	Very high	79 Å²	79	56.7 Å²	56.7	48%	0.479	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135	166.7	-174.1	0	0	0	0	108.9	I55 Q56 F108	I55-V106 CarbonylContact C-O 3.58Å; Q56-V106 HydrophobicContact CB-CB 4.5Å; Q56-V106 PolarHBondContact N-O 2.9Å; Q56-V106 PolarHBondContact O-N 3.49Å; V106-F108 HydrophobicContact CB-CE2 3.98Å; V106-F108 HydrophobicContact CB-CZ 4.27Å; V106-F108 HydrophobicContact CG1-CD2 4.18Å; V106-F108 HydrophobicContact CG1-CE1 4.06Å; V106-F108 HydrophobicContact CG1-CE2 3.49Å; V106-F108 VanDerWaalsContact CG1-CE2 3.49Å; V106-F108 HydrophobicContact CG1-CZ 3.43Å; V106-F108 VanDerWaalsContact CG1-CZ 3.43Å
107	Y	97.5	Very high	96.6	Very high	25 Å²	25	59.3 Å²	59.3	10%	0.098	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.8	-179.8	-68.5	-99.8	0	0	0	110.3	Q24 L39 Y54 I55 L65 F81 L94 D103 A105	Q24-Y107 PolarHBondContact NE2-O 2.8Å; L39-Y107 HydrophobicContact CD1-CD1 4.24Å; L39-Y107 HydrophobicContact CD1-CD2 3.73Å; L39-Y107 HydrophobicContact CD1-CE2 4.5Å; L39-Y107 HydrophobicContact CD1-CG 3.59Å; Y54-Y107 CarbonylContact O-C 3.47Å; Y54-Y107 WeakPolarHBondContact O-CA 3.33Å; I55-Y107 HydrophobicContact CB-CD1 4.23Å; I55-Y107 HydrophobicContact CB-CE1 4.11Å; I55-Y107 HydrophobicContact CD1-CD1 4.46Å; I55-Y107 HydrophobicContact CD1-CE1 3.59Å; I55-Y107 HydrophobicContact CD1-CE2 4.34Å; I55-Y107 VanDerWaalsContact CD1-OH 3.31Å; I55-Y107 WeakPolarHBondContact CD1-OH 3.29Å; I55-Y107 HydrophobicContact CG1-CD1 4.18Å; I55-Y107 HydrophobicContact CG1-CE1 3.79Å; I55-Y107 HydrophobicContact CG1-CE2 4.42Å; L65-Y107 HydrophobicContact CD2-CD1 4.07Å; L65-Y107 HydrophobicContact CD2-CE1 3.95Å; F81-Y107 AromaticContact CE1-CE1 3.98Å; F81-Y107 HydrophobicContact CE1-CE1 3.98Å; F81-Y107 HydrophobicContact CE2-CE1 4.28Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.18Å; F81-Y107 AromaticContact CZ-CE1 3.85Å; F81-Y107 HydrophobicContact CZ-CE1 3.85Å; F81-Y107 AromaticContact CZ-CZ 3.7Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.36Å; L94-Y107 HydrophobicContact CD2-CD1 3.52Å; L94-Y107 HydrophobicContact CD2-CE1 3.92Å; L94-Y107 HydrophobicContact CD2-CG 4.33Å; D103-Y107 WeakPolarHBondContact O-CE2 3.49Å; D103-Y107 PolarHBondContact O-OH 3.16Å; A105-Y107 HydrophobicContact CB-CE2 3.94Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å
108	F	97.5	Very high	96.5	Very high	80 Å²	80	57.5 Å²	57.5	35%	0.351	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.5	-177.6	-61.3	-88.1	0	0	0	110.5	W53 Y54 Q56 L62 V106	W53-F108 CarbonylContact C-O 3.55Å; W53-F108 WeakPolarHBondContact CA-O 3.39Å; W53-F108 VanDerWaalsContact CE3-C 3.44Å; Y54-F108 PolarHBondContact N-O 3.01Å; Y54-F108 PolarHBondContact O-N 3.21Å; Q56-F108 HydrophobicContact CB-CD2 4.48Å; Q56-F108 HydrophobicContact CB-CE2 3.87Å; L62-F108 HydrophobicContact CD1-CD2 3.47Å; L62-F108 VanDerWaalsContact CD1-CD2 3.47Å; L62-F108 HydrophobicContact CD1-CE2 3.89Å; L62-F108 HydrophobicContact CD1-CG 4.32Å; V106-F108 HydrophobicContact CB-CE2 3.98Å; V106-F108 HydrophobicContact CB-CZ 4.27Å; V106-F108 HydrophobicContact CG1-CD2 4.18Å; V106-F108 HydrophobicContact CG1-CE1 4.06Å; V106-F108 HydrophobicContact CG1-CE2 3.49Å; V106-F108 VanDerWaalsContact CG1-CE2 3.49Å; V106-F108 HydrophobicContact CG1-CZ 3.43Å; V106-F108 VanDerWaalsContact CG1-CZ 3.43Å
109	C	97.7	Very high	96.4	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.2	167.8	-171.5	0	0	0	0	109.6	Q24 C41 S52 W53	Q24-C109 HydrophobicContact CG-CB 4.15Å; C41-C109 HydrophobicContact CB-CB 3.49Å; C41-C109 VanDerWaalsContact CB-CB 3.49Å; C41-C109 WeakPolarHBondContact CB-SG 3.01Å; C41-C109 WeakPolarHBondContact SG-CB 3.48Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.87Å; S52-C109 CarbonylContact O-C 3.49Å; S52-C109 WeakPolarHBondContact O-CA 3.47Å; W53-C109 HydrophobicContact CD2-CB 4.08Å; W53-C109 HydrophobicContact CE3-CB 4.06Å; W53-C109 HydrophobicContact CH2-CB 3.85Å; W53-C109 HydrophobicContact CZ2-CB 3.85Å; W53-C109 HydrophobicContact CZ3-CB 3.94Å
110	A	97.1	Very high	96.3	Very high	35 Å²	35	61.4 Å²	61.4	29%	0.289	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	147.1	176.8	0	0	0	0	0	111.1	L51 S52 Y54	L51-A110 WeakPolarHBondContact CA-O 3.37Å; S52-A110 PolarHBondContact N-O 2.92Å; S52-A110 PolarHBondContact O-N 3.44Å; Y54-A110 HydrophobicContact CD2-CB 4.45Å; Y54-A110 HydrophobicContact CE2-CB 4.05Å
111	V	95.4	Very high	96.2	Very high	23 Å²	23	58.6 Å²	58.6	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.9	172.4	62.7	0	0	0	0	109.1	Q20 V22 I49 Y50 L51	Q20-V111 HydrophobicContact CB-CG1 3.76Å; V22-V111 HydrophobicContact CG1-CB 3.81Å; V22-V111 HydrophobicContact CG1-CG1 3.75Å; I49-V111 HydrophobicContact CG2-CG2 4.05Å; Y50-V111 WeakPolarHBondContact O-CA 3.49Å; L51-V111 HydrophobicContact CD2-CB 3.8Å; L51-V111 HydrophobicContact CD2-CG2 4.05Å
112	S	90.5	Very high	96.2	Very high	67 Å²	67	47.9 Å²	47.9	47%	0.469	31%	0.306	S	S	.	.			trans	-145.3	0	173.4	63.8	0	0	0	0	111.3	Q20 Y50	Q20-S112 PolarHBondContact NE2-OXT 3.4Å; Y50-S112 WeakPolarHBondContact CB-O 3.44Å; Y50-S112 WeakPolarHBondContact CD2-O 3.48Å; Y50-S112 PolarHBondContact N-O 2.96Å; Y50-S112 PolarHBondContact O-N 3.35Å

Retrieved 112 of 112 residues in 153.8 ms (Link to these results)

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