A0A075B652_MOUSE Loading...

T cell receptor alpha variable 5-4

AlphaFold DB , UniProt , Accession A0A075B652, Species MOUSE (Mus musculus, Mouse), Gene Trav5-4, Length 114 aa.

						>A0A075B652_MOUSE|A0A075B652|Trav5-4
MKTYAPTLFMFLWLQLDGMSQGEQVEQLPSILRVQEGSSASINCSYEDSASNYFPWYKQEPGENPKLIIDIRSNMERKQIQELIVLLDKKAKRFSLHITDTQPGDSAMYFCAAS
					

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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	41.8	Very low	56.4	Low	241 Å²	241	137.6 Å²	137.6	100%	1.187	70%	0.697	S	S	*	*				0	103.9	0	-77.2	162.2	62.2	0	0	109.2
2	K	48.1	Very low	56.8	Low	180 Å²	180	136.1 Å²	136.1	78%	0.783	69%	0.691	S	S	*	*			trans	-137.7	120.7	162.1	-83.3	-172.6	174.9	177.8	0	108.5	Y4	K2-Y4 HydrophobicContact CB-CE2 4.28Å; K2-Y4 WeakPolarHBondContact O-CD2 3.32Å; K2-Y4 PolarHBondContact O-N 3.41Å
3	T	57.6	Low	57.3	Low	134 Å²	134	142.5 Å²	142.5	82%	0.822	70%	0.702	S	S	*	*			trans	-81.8	99.2	-168.4	1.7	0	0	0	0	109.6
4	Y	59.9	Low	57.6	Low	171 Å²	171	142 Å²	142	67%	0.671	70%	0.702	S	S	*	*			trans	-98.2	11.3	172	-65	-78.4	0	0	0	112.8	K2 T7 L8	K2-Y4 HydrophobicContact CB-CE2 4.28Å; K2-Y4 WeakPolarHBondContact O-CD2 3.32Å; K2-Y4 PolarHBondContact O-N 3.41Å; Y4-T7 PolarHBondContact O-OG1 2.97Å; Y4-L8 PolarHBondContact O-N 3.29Å
5	A	59.3	Low	57.9	Low	59 Å²	59	143.5 Å²	143.5	49%	0.488	71%	0.707	S	S	.	*	H	α-helix	trans	-63.9	-41.4	-170.9	0	0	0	0	0	115.3
6	P	57	Low	58.3	Low	96 Å²	96	144.1 Å²	144.1	62%	0.623	71%	0.713	S	S	*	*	H	α-helix	trans	-77.8	-31.1	-173.4	28.6	-31.8	0	0	0	112.7
7	T	57	Low	58.8	Low	76 Å²	76	144.7 Å²	144.7	47%	0.466	72%	0.719	S	S	.	*	H	α-helix	trans	-70.1	-38.4	177.6	49.2	0	0	0	0	111.1	Y4 F9 M10 F11	Y4-T7 PolarHBondContact O-OG1 2.97Å; T7-F9 VanDerWaalsContact C-N 3.29Å; T7-F9 PolarHBondContact O-N 3.07Å; T7-M10 PolarHBondContact O-N 3.07Å; T7-F11 WeakPolarHBondContact O-CD2 3.26Å; T7-F11 PolarHBondContact O-N 2.93Å
8	L	58.4	Low	59.4	Low	122 Å²	122	140.6 Å²	140.6	64%	0.639	72%	0.719	S	S	*	*	H	α-helix	trans	-58	-38.1	178.7	-157.4	88.7	0	0	0	112.9	Y4 L12	Y4-L8 PolarHBondContact O-N 3.29Å; L8-L12 PolarHBondContact O-N 3.05Å
9	F	61.1	Low	59.9	Low	141 Å²	141	141.7 Å²	141.7	62%	0.618	72%	0.724	S	S	*	*	H	α-helix	trans	-70	-32.7	179.6	-95.7	-86	0	0	0	113.2	T7 L12	T7-F9 VanDerWaalsContact C-N 3.29Å; T7-F9 PolarHBondContact O-N 3.07Å; F9-L12 PolarHBondContact O-N 3.23Å
10	M	60.6	Low	60.3	Low	153 Å²	153	140.5 Å²	140.5	75%	0.754	73%	0.728	S	S	*	*	H	α-helix	trans	-72.1	-32.9	178	-113.2	175.5	162.6	0	0	112.5	T7	T7-M10 PolarHBondContact O-N 3.07Å
11	F	59.7	Low	60.8	Low	141 Å²	141	142.2 Å²	142.2	62%	0.618	73%	0.733	S	S	*	*	H	α-helix	trans	-75.3	-21.9	177.1	-66.1	-67.7	0	0	0	113.5	T7 W13	T7-F11 WeakPolarHBondContact O-CD2 3.26Å; T7-F11 PolarHBondContact O-N 2.93Å; F11-W13 PolarHBondContact O-N 3.19Å
12	L	61.4	Low	62.3	Low	119 Å²	119	134 Å²	134	62%	0.623	71%	0.71	S	S	*	*	H	α-helix	trans	-74.3	-23.3	-176	-155.7	76.4	0	0	0	113.8	L8 F9	L8-L12 PolarHBondContact O-N 3.05Å; F9-L12 PolarHBondContact O-N 3.23Å
13	W	62.3	Low	63.8	Low	220 Å²	220	128.1 Å²	128.1	83%	0.833	69%	0.686	S	S	*	*	S	Bend	trans	-87.1	-17.5	-179.9	-67.4	69.9	0	0	0	113.2	F11 Q15	F11-W13 PolarHBondContact O-N 3.19Å; W13-Q15 PolarHBondContact O-N 2.79Å
14	L	62.3	Low	65.3	Low	135 Å²	135	126.6 Å²	126.6	71%	0.707	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	0.3	-172.1	-97.3	147.8	0	0	0	114.7
15	Q	62.5	Low	67	Low	164 Å²	164	121 Å²	121	77%	0.766	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	8.8	-169.6	-63.5	-159.1	-48.1	0	0	115.9	W13	W13-Q15 PolarHBondContact O-N 2.79Å
16	L	63.1	Low	68.9	Low	154 Å²	154	123.4 Å²	123.4	81%	0.806	65%	0.654	S	S	*	*			trans	-115.2	21.8	-178	-93.5	105.1	0	0	0	116.1	G18	L16-G18 PolarHBondContact O-N 3.5Å
17	D	66.7	Low	70.8	Confident	154 Å²	154	121.5 Å²	121.5	82%	0.824	64%	0.637	S	S	*	*			trans	-81.5	64.8	160.2	-64.1	-35.7	0	0	0	109.3	M19	D17-M19 PolarHBondContact O-N 2.86Å
18	G	69.8	Low	72.8	Confident	70 Å²	70	123.2 Å²	123.2	72%	0.722	64%	0.643	S	S	*	*			trans	-64.6	97.1	169.3	0	0	0	0	0	108.9	L16 S20	L16-G18 PolarHBondContact O-N 3.5Å; G18-S20 PolarHBondContact O-N 3Å
19	M	68.9	Low	74.7	Confident	162 Å²	162	119.8 Å²	119.8	80%	0.798	63%	0.627	S	S	*	*			trans	-69.3	96	170.2	-60.4	-177.8	88.2	0	0	108.2	D17 Q21	D17-M19 PolarHBondContact O-N 2.86Å; M19-Q21 PolarHBondContact O-N 3.16Å
20	S	68.7	Low	76.3	Confident	117 Å²	117	118.2 Å²	118.2	82%	0.818	63%	0.634	S	S	*	*			trans	-76.1	106.6	164.7	68.3	0	0	0	0	108.1	G18 G22	G18-S20 PolarHBondContact O-N 3Å; S20-G22 PolarHBondContact O-N 3.18Å
21	Q	70	Confident	78.1	Confident	177 Å²	177	117.1 Å²	117.1	83%	0.827	63%	0.63	S	S	*	*			trans	-85.1	100.7	164.8	-68.2	-177.7	3	0	0	107.2	M19	M19-Q21 PolarHBondContact O-N 3.16Å
22	G	73.8	Confident	79.9	Confident	69 Å²	69	114.1 Å²	114.1	71%	0.711	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-72	147.5	167.5	0	0	0	0	0	109.8	S20 Q24	S20-G22 PolarHBondContact O-N 3.18Å; G22-Q24 PolarHBondContact O-N 2.74Å
23	E	79.3	Confident	81.6	Confident	57 Å²	57	119.5 Å²	119.5	27%	0.266	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-66.6	126.3	169.8	171.4	129.6	-145.6	0	0	109.4	V25 D48 S51 A113	E23-V25 HydrophobicContact CG-CG1 4.06Å; E23-V25 PolarHBondContact O-N 2.85Å; E23-D48 VanDerWaalsContact OE1-CB 3.26Å; E23-D48 WeakPolarHBondContact OE1-CB 3.3Å; E23-D48 PolarHBondContact OE1-N 3.48Å; E23-S51 PolarHBondContact OE1-OG 3.1Å; E23-S51 PolarHBondContact OE2-OG 3.42Å; E23-A113 HydrophobicContact CG-CB 4.14Å
24	Q	90	Very high	83.3	Confident	102 Å²	102	112.3 Å²	112.3	48%	0.477	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-79.5	119.4	173.6	-173.8	168.9	-45.4	0	0	109.6	G22 E47	G22-Q24 PolarHBondContact O-N 2.74Å; Q24-E47 HydrophobicContact CB-CG 4.29Å; Q24-E47 PolarHBondContact NE2-OE1 3.13Å; Q24-E47 PolarHBondContact O-N 2.8Å
25	V	96	Very high	84.9	Confident	54 Å²	54	113.2 Å²	113.2	33%	0.327	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.2	138.6	171.8	-64	0	0	0	0	110.2	E23 S45 A113	E23-V25 HydrophobicContact CG-CG1 4.06Å; E23-V25 PolarHBondContact O-N 2.85Å; V25-S45 CarbonylContact C-O 3.54Å; V25-S45 VanDerWaalsContact CA-O 3.27Å; V25-S45 WeakPolarHBondContact CA-O 3.35Å; V25-A113 HydrophobicContact CG1-CB 3.97Å
26	E	97.8	Very high	86.6	Confident	108 Å²	108	111.8 Å²	111.8	51%	0.505	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	129.9	176.4	-65.9	-173.4	171.1	0	0	109.8	C44 S45	E26-C44 CarbonylContact O-C 3.57Å; E26-C44 WeakPolarHBondContact O-CA 3.49Å; E26-S45 PolarHBondContact N-O 3.39Å; E26-S45 PolarHBondContact O-N 2.9Å
27	Q	98.4	Very high	88.3	Confident	57 Å²	57	106.3 Å²	106.3	27%	0.266	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	-177.5	-176	174.3	-64.6	0	0	111.4	I42 N43 C44 Y109 C111	Q27-I42 HydrophobicContact CG-CG2 3.5Å; Q27-N43 CarbonylContact C-O 3.5Å; Q27-N43 WeakPolarHBondContact CA-O 3.09Å; Q27-C44 VanDerWaalsContact CG-SG 3.6Å; Q27-Y109 PolarHBondContact NE2-O 2.81Å; Q27-Y109 PolarHBondContact OE1-O 2.88Å; Q27-C111 PolarHBondContact OE1-SG 2.86Å
28	L	98.1	Very high	89.8	Confident	112 Å²	112	101.2 Å²	101.2	59%	0.586	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-140.5	141.1	178.7	-68	171.6	0	0	0	112.5	N43	L28-N43 PolarHBondContact N-O 3.49Å; L28-N43 PolarHBondContact O-N 3.39Å
29	P	97.9	Very high	91.1	Very high	49 Å²	49	102 Å²	102	32%	0.318	56%	0.557	S	S	.	*			cis	-74.4	158.8	-7.9	33.2	-35.5	0	0	0	111.7	I31 L32	P29-I31 VanDerWaalsContact C-N 3.33Å; P29-L32 HydrophobicContact CG-CB 4.07Å; P29-L32 HydrophobicContact CG-CD1 4.06Å
30	S	95.9	Very high	92.5	Very high	109 Å²	109	94.7 Å²	94.7	76%	0.762	52%	0.523	S	S	*	.	S	Bend	trans	-71.5	-29.1	175.7	56.1	0	0	0	0	113.1
31	I	97.5	Very high	93.9	Very high	130 Å²	130	91.3 Å²	91.3	67%	0.667	50%	0.499	S	S	*	.	S	Bend	trans	-134.6	128	175.6	-58.8	173.8	0	0	0	107.6	P29	P29-I31 VanDerWaalsContact C-N 3.33Å
32	L	97	Very high	95.3	Very high	77 Å²	77	83.7 Å²	83.7	40%	0.403	46%	0.464	S	S	.	.			trans	-121.3	133.2	176.9	-175.3	62.1	0	0	0	109.4	P29 V34 A40	P29-L32 HydrophobicContact CG-CB 4.07Å; P29-L32 HydrophobicContact CG-CD1 4.06Å; L32-V34 HydrophobicContact CD1-CG1 4.13Å; L32-V34 HydrophobicContact CD2-CG1 4.13Å; L32-V34 HydrophobicContact CG-CG1 3.91Å; L32-A40 HydrophobicContact CD2-CB 3.63Å
33	R	97.7	Very high	96.5	Very high	232 Å²	232	84.2 Å²	84.2	88%	0.875	45%	0.451	S	S	*	.			trans	-122.2	125.8	171.6	-63.7	-177.3	-174.6	-170.4	0.8	107.9
34	V	97	Very high	97.4	Very high	70 Å²	70	81.6 Å²	81.6	42%	0.424	44%	0.438	S	S	.	.			trans	-132.9	158.1	-178	-67	0	0	0	0	110.1	L32 A40 T101	L32-V34 HydrophobicContact CD1-CG1 4.13Å; L32-V34 HydrophobicContact CD2-CG1 4.13Å; L32-V34 HydrophobicContact CG-CG1 3.91Å; V34-A40 HydrophobicContact CG1-CB 4.05Å; V34-A40 HydrophobicContact CG2-CB 4.38Å; V34-T101 HydrophobicContact CG2-CG2 4.11Å
35	Q	97.8	Very high	97.8	Very high	153 Å²	153	78.4 Å²	78.4	72%	0.715	43%	0.427	S	S	*	.			trans	-84.1	144.4	170.8	-66.9	-178.9	-17.7	0	0	109.4	S38 T101	Q35-S38 WeakPolarHBondContact O-CB 3.26Å; Q35-S38 PolarHBondContact O-N 2.9Å; Q35-S38 PolarHBondContact O-OG 2.68Å; Q35-T101 PolarHBondContact O-OG1 2.99Å; Q35-T101 VanDerWaalsContact O-OG1 3.1Å
36	E	97.8	Very high	97.8	Very high	135 Å²	135	76.2 Å²	76.2	63%	0.631	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	140.5	171.5	-175	178.2	162.2	0	0	111.2	S38 T101	E36-S38 PolarHBondContact O-N 3.14Å; E36-T101 CarbonylContact C-O 3.59Å; E36-T101 WeakPolarHBondContact CA-O 3.32Å
37	G	97.9	Very high	97.8	Very high	39 Å²	39	76.6 Å²	76.6	40%	0.402	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-9.3	-174.8	0	0	0	0	0	115.1	D100 T101	G37-D100 VanDerWaalsContact CA-OD1 3.3Å; G37-D100 WeakPolarHBondContact CA-OD1 3.3Å; G37-T101 PolarHBondContact N-O 3.34Å
38	S	97.9	Very high	97.6	Very high	46 Å²	46	77.7 Å²	77.7	32%	0.322	42%	0.423	S	S	.	.	S	Bend	trans	-77.6	166.1	173.8	-58.1	0	0	0	0	111.1	Q35 E36 T101	Q35-S38 WeakPolarHBondContact O-CB 3.26Å; Q35-S38 PolarHBondContact O-N 2.9Å; Q35-S38 PolarHBondContact O-OG 2.68Å; E36-S38 PolarHBondContact O-N 3.14Å; S38-T101 WeakPolarHBondContact O-CB 3.4Å; S38-T101 VanDerWaalsContact O-CG2 3.26Å; S38-T101 WeakPolarHBondContact O-CG2 3.16Å; S38-T101 PolarHBondContact O-N 2.75Å; S38-T101 PolarHBondContact O-OG1 3.4Å
39	S	98	Very high	97.4	Very high	86 Å²	86	76.1 Å²	76.1	60%	0.601	42%	0.421	S	S	*	.			trans	-87.8	143.7	169.5	-57.5	0	0	0	0	111.5	I98	S39-I98 VanDerWaalsContact CA-O 3.31Å; S39-I98 WeakPolarHBondContact CA-O 3.45Å
40	A	98.1	Very high	97.2	Very high	10 Å²	10	76.5 Å²	76.5	8%	0.083	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.6	171.7	0	0	0	0	0	110.3	L32 V34 H97 I98 T101	L32-A40 HydrophobicContact CD2-CB 3.63Å; V34-A40 HydrophobicContact CG1-CB 4.05Å; V34-A40 HydrophobicContact CG2-CB 4.38Å; A40-H97 VanDerWaalsContact O-CA 3.3Å; A40-H97 WeakPolarHBondContact O-CA 3.38Å; A40-I98 HydrophobicContact CB-CB 4.43Å; A40-I98 PolarHBondContact N-O 2.86Å; A40-I98 PolarHBondContact O-N 3.25Å; A40-T101 HydrophobicContact CB-CG2 3.71Å
41	S	98.5	Very high	97.2	Very high	45 Å²	45	71.3 Å²	71.3	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.9	171.4	64.4	0	0	0	0	112.4	L96	S41-L96 CarbonylContact C-O 3.59Å; S41-L96 VanDerWaalsContact CA-O 3.28Å; S41-L96 WeakPolarHBondContact CA-O 3.4Å
42	I	98.6	Very high	97.2	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.092	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.8	175.1	-52	175.1	0	0	0	106.7	Q27 W56 S95 L96 Y109	Q27-I42 HydrophobicContact CG-CG2 3.5Å; I42-W56 HydrophobicContact CB-CH2 4.04Å; I42-W56 HydrophobicContact CB-CZ3 4.09Å; I42-W56 HydrophobicContact CG2-CH2 3.87Å; I42-W56 HydrophobicContact CG2-CZ3 3.86Å; I42-S95 CarbonylContact O-C 3.58Å; I42-S95 WeakPolarHBondContact O-CA 3.37Å; I42-S95 WeakPolarHBondContact O-CB 3.39Å; I42-L96 PolarHBondContact N-O 3.02Å; I42-L96 PolarHBondContact O-N 2.95Å; I42-Y109 HydrophobicContact CD1-CD2 4.18Å; I42-Y109 HydrophobicContact CD1-CG 3.92Å
43	N	98.6	Very high	97.3	Very high	79 Å²	79	67.1 Å²	67.1	42%	0.422	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.5	-178.1	-57.8	-84.1	0	0	0	109.6	Q27 L28	Q27-N43 CarbonylContact C-O 3.5Å; Q27-N43 WeakPolarHBondContact CA-O 3.09Å; L28-N43 PolarHBondContact N-O 3.49Å; L28-N43 PolarHBondContact O-N 3.39Å
44	C	98.6	Very high	97.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.4	170.3	-72.4	0	0	0	0	111.7	E26 Q27 W56 R93 F94 C111	E26-C44 CarbonylContact O-C 3.57Å; E26-C44 WeakPolarHBondContact O-CA 3.49Å; Q27-C44 VanDerWaalsContact CG-SG 3.6Å; C44-W56 HydrophobicContact CB-CH2 4.27Å; C44-W56 HydrophobicContact CB-CZ2 4.28Å; C44-W56 WeakPolarHBondContact SG-CH2 3.28Å; C44-R93 CarbonylContact O-C 3.6Å; C44-R93 VanDerWaalsContact O-CA 3.26Å; C44-R93 WeakPolarHBondContact O-CA 3.27Å; C44-F94 HydrophobicContact CB-CD1 4.07Å; C44-F94 HydrophobicContact CB-CD2 4.36Å; C44-F94 HydrophobicContact CB-CE1 3.61Å; C44-F94 HydrophobicContact CB-CE2 3.97Å; C44-F94 HydrophobicContact CB-CG 4.41Å; C44-F94 HydrophobicContact CB-CZ 3.55Å; C44-F94 PolarHBondContact N-O 2.79Å; C44-F94 PolarHBondContact O-N 2.78Å; C44-F94 VanDerWaalsContact O-O 3.09Å; C44-C111 HydrophobicContact CB-CB 3.74Å; C44-C111 WeakPolarHBondContact CB-SG 3.35Å; C44-C111 WeakPolarHBondContact SG-CB 3.35Å; C44-C111 CovalentContact SG-SG 2.01Å; C44-C111 PolarHBondContact SG-SG 2.87Å
45	S	98.4	Very high	97.4	Very high	35 Å²	35	52.9 Å²	52.9	25%	0.245	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.6	167.1	40.7	0	0	0	0	110.4	V25 E26 K92	V25-S45 CarbonylContact C-O 3.54Å; V25-S45 VanDerWaalsContact CA-O 3.27Å; V25-S45 WeakPolarHBondContact CA-O 3.35Å; E26-S45 PolarHBondContact N-O 3.39Å; E26-S45 PolarHBondContact O-N 2.9Å; S45-K92 WeakPolarHBondContact CA-O 3.3Å
46	Y	97.5	Very high	97.4	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	162.1	-179.4	66.2	-82.1	0	0	0	110.3	D48 F54 L87 K92 F94 A113	Y46-D48 VanDerWaalsContact CD2-O 3.26Å; Y46-D48 WeakPolarHBondContact CD2-O 2.94Å; Y46-D48 WeakPolarHBondContact CE2-O 2.96Å; Y46-F54 HydrophobicContact CD1-CD1 4.38Å; Y46-F54 AromaticContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD2-CE1 4.06Å; Y46-F54 HydrophobicContact CE1-CD1 4.25Å; Y46-F54 AromaticContact CE1-CE1 3.45Å; Y46-F54 HydrophobicContact CE1-CE1 3.45Å; Y46-F54 VanDerWaalsContact CE1-CE1 3.45Å; Y46-F54 AromaticContact CE1-CZ 4Å; Y46-F54 HydrophobicContact CE1-CZ 4Å; Y46-F54 AromaticContact CE2-CE1 3.76Å; Y46-F54 HydrophobicContact CE2-CE1 3.76Å; Y46-F54 HydrophobicContact CE2-CZ 4.01Å; Y46-F54 HydrophobicContact CG-CE1 4.09Å; Y46-F54 AromaticContact CZ-CE1 3.45Å; Y46-F54 VanDerWaalsContact CZ-CE1 3.45Å; Y46-F54 AromaticContact CZ-CZ 3.61Å; Y46-L87 HydrophobicContact CE1-CD1 4.44Å; Y46-K92 VanDerWaalsContact CD1-C 3.46Å; Y46-K92 HydrophobicContact CD1-CB 4.17Å; Y46-K92 VanDerWaalsContact CD1-O 3.24Å; Y46-K92 WeakPolarHBondContact CD1-O 3.29Å; Y46-K92 HydrophobicContact CD2-CB 4.42Å; Y46-K92 HydrophobicContact CE1-CB 3.91Å; Y46-K92 WeakPolarHBondContact CE1-O 3.09Å; Y46-K92 HydrophobicContact CE2-CB 4.15Å; Y46-K92 HydrophobicContact CE2-CG 4.27Å; Y46-K92 HydrophobicContact CG-CB 4.41Å; Y46-K92 PolarHBondContact N-O 2.89Å; Y46-K92 VanDerWaalsContact N-O 3.14Å; Y46-K92 VanDerWaalsContact O-CB 3.3Å; Y46-K92 WeakPolarHBondContact O-CB 3.24Å; Y46-F94 AromaticContact CD1-CD1 3.75Å; Y46-F94 HydrophobicContact CD1-CD1 3.75Å; Y46-F94 AromaticContact CD1-CE1 3.82Å; Y46-F94 HydrophobicContact CD1-CE1 3.82Å; Y46-F94 HydrophobicContact CE1-CD1 4.1Å; Y46-A113 HydrophobicContact CD2-CB 4.25Å; Y46-A113 HydrophobicContact CG-CB 3.98Å
47	E	96.2	Very high	97.4	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.542	26%	0.258	S	S	.	.			trans	-105.8	-34	-174.5	-68	-165.9	173.8	0	0	114	Q24 S49 K92	Q24-E47 HydrophobicContact CB-CG 4.29Å; Q24-E47 PolarHBondContact NE2-OE1 3.13Å; Q24-E47 PolarHBondContact O-N 2.8Å; E47-S49 PolarHBondContact O-N 2.99Å; E47-K92 PolarHBondContact O-NZ 2.93Å
48	D	94.4	Very high	97.5	Very high	80 Å²	80	42.5 Å²	42.5	43%	0.428	25%	0.245	S	C	.	.			trans	-77.5	121.4	-174.5	-174.9	5.6	0	0	0	111	E23 Y46 A50 S51	E23-D48 VanDerWaalsContact OE1-CB 3.26Å; E23-D48 WeakPolarHBondContact OE1-CB 3.3Å; E23-D48 PolarHBondContact OE1-N 3.48Å; Y46-D48 VanDerWaalsContact CD2-O 3.26Å; Y46-D48 WeakPolarHBondContact CD2-O 2.94Å; Y46-D48 WeakPolarHBondContact CE2-O 2.96Å; D48-A50 PolarHBondContact O-N 3.49Å; D48-A50 VanDerWaalsContact OD1-CB 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.2Å; D48-S51 WeakPolarHBondContact CB-OG 3.49Å; D48-S51 PolarHBondContact O-N 3.39Å; D48-S51 PolarHBondContact O-OG 3.4Å
49	S	93.3	Very high	97.5	Very high	79 Å²	79	42.2 Å²	42.2	55%	0.552	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.6	176.5	-61	0	0	0	0	112.7	E47 S51 K92	E47-S49 PolarHBondContact O-N 2.99Å; S49-S51 VanDerWaalsContact C-N 3.34Å; S49-K92 WeakPolarHBondContact OG-CE 3.23Å; S49-K92 PolarHBondContact OG-NZ 3.36Å
50	A	95	Very high	97.5	Very high	58 Å²	58	41.3 Å²	41.3	48%	0.479	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.3	-179.8	0	0	0	0	0	113.1	D48 N52	D48-A50 PolarHBondContact O-N 3.49Å; D48-A50 VanDerWaalsContact OD1-CB 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.2Å; A50-N52 VanDerWaalsContact O-CG 3.24Å; A50-N52 PolarHBondContact O-N 3.16Å; A50-N52 PolarHBondContact O-ND2 3.29Å
51	S	95.8	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.			trans	-60.3	130.4	-179.8	-33.9	0	0	0	0	111	E23 D48 S49 F54 S114	E23-S51 PolarHBondContact OE1-OG 3.1Å; E23-S51 PolarHBondContact OE2-OG 3.42Å; D48-S51 WeakPolarHBondContact CB-OG 3.49Å; D48-S51 PolarHBondContact O-N 3.39Å; D48-S51 PolarHBondContact O-OG 3.4Å; S49-S51 VanDerWaalsContact C-N 3.34Å; S51-F54 WeakPolarHBondContact O-CZ 3.36Å; S51-S114 CarbonylContact C-O 3.56Å; S51-S114 WeakPolarHBondContact CA-O 3.25Å
52	N	97.3	Very high	97.3	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	29%	0.285	S	S	.	.			trans	-128	-3	-175.3	-67.8	-53.7	0	0	0	113.6	A50 R72 S73 K89 S114	A50-N52 VanDerWaalsContact O-CG 3.24Å; A50-N52 PolarHBondContact O-N 3.16Å; A50-N52 PolarHBondContact O-ND2 3.29Å; N52-R72 WeakPolarHBondContact O-CA 3.01Å; N52-S73 WeakPolarHBondContact CB-OG 3.41Å; N52-S73 PolarHBondContact O-N 3.39Å; N52-S73 VanDerWaalsContact OD1-CB 3.3Å; N52-S73 WeakPolarHBondContact OD1-CB 3.27Å; N52-S73 PolarHBondContact OD1-OG 3.41Å; N52-K89 PolarHBondContact OD1-NZ 2.88Å; N52-S114 PolarHBondContact N-O 2.7Å
53	Y	98.1	Very high	97.3	Very high	44 Å²	44	52 Å²	52	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.9	179.6	-177	-124.5	0	0	0	111	P55 D70 A113 S114	Y53-P55 HydrophobicContact CD1-CG 4.05Å; Y53-P55 HydrophobicContact CE1-CB 3.82Å; Y53-P55 HydrophobicContact CE1-CG 3.69Å; Y53-P55 WeakPolarHBondContact O-CD 3.18Å; Y53-D70 HydrophobicContact CD2-CB 4.28Å; Y53-D70 HydrophobicContact CE2-CB 3.4Å; Y53-D70 VanDerWaalsContact CE2-CB 3.4Å; Y53-D70 VanDerWaalsContact CE2-CG 3.43Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.18Å; Y53-D70 PolarHBondContact OH-OD2 2.91Å; Y53-D70 VanDerWaalsContact OH-OD2 3.05Å; Y53-A113 WeakPolarHBondContact O-CA 3.3Å; Y53-S114 PolarHBondContact N-O 3.01Å; Y53-S114 PolarHBondContact O-N 3Å
54	F	98.4	Very high	97.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	80.6	-173.5	-53.3	-84.7	0	0	0	110.2	Y46 S51 D70 I71 L87 F94 A112 A113	Y46-F54 HydrophobicContact CD1-CD1 4.38Å; Y46-F54 AromaticContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD1-CE1 3.8Å; Y46-F54 HydrophobicContact CD2-CE1 4.06Å; Y46-F54 HydrophobicContact CE1-CD1 4.25Å; Y46-F54 AromaticContact CE1-CE1 3.45Å; Y46-F54 HydrophobicContact CE1-CE1 3.45Å; Y46-F54 VanDerWaalsContact CE1-CE1 3.45Å; Y46-F54 AromaticContact CE1-CZ 4Å; Y46-F54 HydrophobicContact CE1-CZ 4Å; Y46-F54 AromaticContact CE2-CE1 3.76Å; Y46-F54 HydrophobicContact CE2-CE1 3.76Å; Y46-F54 HydrophobicContact CE2-CZ 4.01Å; Y46-F54 HydrophobicContact CG-CE1 4.09Å; Y46-F54 AromaticContact CZ-CE1 3.45Å; Y46-F54 VanDerWaalsContact CZ-CE1 3.45Å; Y46-F54 AromaticContact CZ-CZ 3.61Å; S51-F54 WeakPolarHBondContact O-CZ 3.36Å; F54-D70 WeakPolarHBondContact O-CA 3.21Å; F54-I71 HydrophobicContact CB-CG2 3.74Å; F54-I71 HydrophobicContact CD2-CG2 4.21Å; F54-I71 HydrophobicContact CG-CG2 4.36Å; F54-I71 PolarHBondContact N-O 3Å; F54-I71 PolarHBondContact O-N 2.92Å; F54-I71 VanDerWaalsContact O-N 3.08Å; F54-L87 HydrophobicContact CD1-CD1 4.44Å; F54-L87 HydrophobicContact CD2-CD1 3.94Å; F54-L87 HydrophobicContact CD2-CD2 3.68Å; F54-L87 HydrophobicContact CD2-CG 4.47Å; F54-L87 HydrophobicContact CE1-CD1 4.33Å; F54-L87 HydrophobicContact CE2-CD1 3.82Å; F54-L87 HydrophobicContact CE2-CD2 3.55Å; F54-L87 HydrophobicContact CE2-CG 4.39Å; F54-L87 HydrophobicContact CG-CD1 4.25Å; F54-L87 HydrophobicContact CZ-CD1 4.02Å; F54-L87 HydrophobicContact CZ-CD2 4.45Å; F54-F94 HydrophobicContact CB-CD2 3.93Å; F54-F94 HydrophobicContact CB-CE2 3.99Å; F54-F94 HydrophobicContact CB-CG 4.27Å; F54-F94 HydrophobicContact CB-CZ 4.41Å; F54-F94 AromaticContact CD1-CD1 3.83Å; F54-F94 HydrophobicContact CD1-CD1 3.83Å; F54-F94 AromaticContact CD1-CE1 3.82Å; F54-F94 HydrophobicContact CD1-CE1 3.82Å; F54-F94 HydrophobicContact CD1-CG 4.23Å; F54-F94 HydrophobicContact CD1-CZ 4.17Å; F54-F94 HydrophobicContact CE1-CD1 4.45Å; F54-F94 HydrophobicContact CG-CD1 4.5Å; F54-F94 HydrophobicContact CG-CG 4.46Å; F54-A112 WeakPolarHBondContact CA-O 3.45Å; F54-A113 HydrophobicContact CD1-CB 3.83Å; F54-A113 HydrophobicContact CE1-CB 3.86Å
55	P	98.4	Very high	97.2	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.013	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.9	178.8	32	-36	0	0	0	112.6	Y53 Y57 L67 D70 A112	Y53-P55 HydrophobicContact CD1-CG 4.05Å; Y53-P55 HydrophobicContact CE1-CB 3.82Å; Y53-P55 HydrophobicContact CE1-CG 3.69Å; Y53-P55 WeakPolarHBondContact O-CD 3.18Å; P55-Y57 HydrophobicContact CB-CE2 3.72Å; P55-Y57 HydrophobicContact CG-CE2 3.74Å; P55-L67 HydrophobicContact CB-CD1 3.5Å; P55-D70 HydrophobicContact CB-CB 4.27Å; P55-A112 WeakPolarHBondContact CD-O 3.48Å; P55-A112 HydrophobicContact CG-CB 4Å; P55-A112 PolarHBondContact O-N 2.96Å; P55-A112 VanDerWaalsContact O-N 3.08Å
56	W	98.7	Very high	97.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.6	169.4	-73.7	89.7	0	0	0	110.4	I42 C44 I68 I69 F94 L96 F110 C111	I42-W56 HydrophobicContact CB-CH2 4.04Å; I42-W56 HydrophobicContact CB-CZ3 4.09Å; I42-W56 HydrophobicContact CG2-CH2 3.87Å; I42-W56 HydrophobicContact CG2-CZ3 3.86Å; C44-W56 HydrophobicContact CB-CH2 4.27Å; C44-W56 HydrophobicContact CB-CZ2 4.28Å; C44-W56 WeakPolarHBondContact SG-CH2 3.28Å; W56-I68 HydrophobicContact CB-CD1 4.32Å; W56-I68 HydrophobicContact CB-CG1 4.11Å; W56-I68 WeakPolarHBondContact O-CG1 3.3Å; W56-I68 PolarHBondContact O-N 3.45Å; W56-I69 HydrophobicContact CB-CG2 3.93Å; W56-I69 HydrophobicContact CG-CG2 4.39Å; W56-I69 PolarHBondContact N-O 2.82Å; W56-F94 AromaticContact CE2-CD2 3.78Å; W56-F94 AromaticContact CE2-CE2 3.77Å; W56-F94 AromaticContact CZ2-CD2 3.79Å; W56-F94 HydrophobicContact CZ2-CD2 3.79Å; W56-F94 AromaticContact CZ2-CE2 3.86Å; W56-F94 HydrophobicContact CZ2-CE2 3.86Å; W56-F94 AromaticContact NE1-CD2 3.4Å; W56-F94 AromaticContact NE1-CE2 3.63Å; W56-L96 HydrophobicContact CD2-CB 3.63Å; W56-L96 HydrophobicContact CD2-CD2 4.09Å; W56-L96 HydrophobicContact CD2-CG 4.36Å; W56-L96 HydrophobicContact CE3-CB 3.77Å; W56-L96 HydrophobicContact CE3-CD2 3.81Å; W56-L96 HydrophobicContact CE3-CG 4.42Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD2 4.41Å; W56-L96 HydrophobicContact CH2-CB 3.85Å; W56-L96 HydrophobicContact CZ2-CB 3.74Å; W56-L96 HydrophobicContact CZ3-CB 3.87Å; W56-L96 HydrophobicContact CZ3-CD2 4.36Å; W56-F110 CarbonylContact C-O 3.52Å; W56-F110 WeakPolarHBondContact CA-O 3.34Å; W56-C111 HydrophobicContact CD2-CB 4.01Å; W56-C111 HydrophobicContact CE3-CB 3.83Å; W56-C111 HydrophobicContact CH2-CB 3.69Å; W56-C111 HydrophobicContact CZ2-CB 3.84Å; W56-C111 HydrophobicContact CZ3-CB 3.68Å
57	Y	98.6	Very high	97.3	Very high	76 Å²	76	64.8 Å²	64.8	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.7	179.4	-57.4	-95.5	0	0	0	110.3	P55 P65 K66 L67 Y109 F110	P55-Y57 HydrophobicContact CB-CE2 3.72Å; P55-Y57 HydrophobicContact CG-CE2 3.74Å; Y57-P65 HydrophobicContact CD1-CB 4.43Å; Y57-K66 CarbonylContact C-O 3.56Å; Y57-K66 WeakPolarHBondContact CA-O 3.47Å; Y57-L67 HydrophobicContact CD1-CB 4.14Å; Y57-L67 HydrophobicContact CE1-CB 3.96Å; Y57-L67 HydrophobicContact CE1-CD1 4.21Å; Y57-Y109 VanDerWaalsContact O-CA 3.3Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; Y57-F110 PolarHBondContact N-O 2.94Å; Y57-F110 PolarHBondContact O-N 2.81Å
58	K	98.4	Very high	97.4	Very high	33 Å²	33	61.5 Å²	61.5	14%	0.143	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.6	166.9	-171.1	-175.3	-172.2	-162.2	0	108.7	E60 K66 I68 G104 A107 M108 Y109	K58-E60 WeakPolarHBondContact CE-OE1 3.48Å; K58-E60 IonicContact NZ-OE1 2.86Å; K58-E60 PolarHBondContact NZ-OE1 2.96Å; K58-K66 PolarHBondContact N-O 2.87Å; K58-K66 PolarHBondContact O-N 2.87Å; K58-I68 HydrophobicContact CB-CD1 4.14Å; K58-I68 HydrophobicContact CB-CG1 4.38Å; K58-I68 HydrophobicContact CB-CG2 3.55Å; K58-G104 PolarHBondContact NZ-O 3.42Å; K58-A107 HydrophobicContact CD-CB 4.16Å; K58-A107 HydrophobicContact CG-CB 3.66Å; K58-M108 CarbonylContact C-O 3.56Å; K58-M108 WeakPolarHBondContact CA-O 3.36Å; K58-Y109 HydrophobicContact CB-CD1 4.35Å; K58-Y109 HydrophobicContact CB-CE1 4.11Å; K58-Y109 HydrophobicContact CD-CE1 4.23Å; K58-Y109 VanDerWaalsContact CE-OH 3.3Å; K58-Y109 WeakPolarHBondContact CE-OH 3.3Å; K58-Y109 HydrophobicContact CG-CD1 4.44Å; K58-Y109 HydrophobicContact CG-CE1 3.94Å; K58-Y109 HydrophobicContact CG-CE2 4.37Å
59	Q	98.5	Very high	97.6	Very high	40 Å²	40	57.9 Å²	57.9	19%	0.187	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110	174.1	-174.1	178.1	20.9	0	0	109.4	E63 P65 M108 F110	Q59-E63 VanDerWaalsContact CG-O 3.26Å; Q59-E63 WeakPolarHBondContact CG-O 3.34Å; Q59-E63 PolarHBondContact NE2-O 3.42Å; Q59-P65 HydrophobicContact CB-CB 4.38Å; Q59-P65 HydrophobicContact CB-CG 4.25Å; Q59-P65 HydrophobicContact CG-CG 4.25Å; Q59-M108 HydrophobicContact CB-CB 4.31Å; Q59-M108 HydrophobicContact CB-CE 4.37Å; Q59-M108 HydrophobicContact CG-CE 4.07Å; Q59-M108 PolarHBondContact N-O 2.8Å; Q59-M108 PolarHBondContact O-N 2.73Å; Q59-F110 HydrophobicContact CB-CD2 4.45Å; Q59-F110 HydrophobicContact CB-CE2 3.77Å; Q59-F110 VanDerWaalsContact OE1-CE2 3.24Å
60	E	97.6	Very high	97.8	Very high	68 Å²	68	55.5 Å²	55.5	32%	0.318	31%	0.313	S	S	.	.			trans	-70.8	154.6	170.7	-59	-65	168.5	0	0	110.5	K58 G62 E63	K58-E60 WeakPolarHBondContact CE-OE1 3.48Å; K58-E60 IonicContact NZ-OE1 2.86Å; K58-E60 PolarHBondContact NZ-OE1 2.96Å; E60-G62 PolarHBondContact O-N 2.91Å; E60-E63 HydrophobicContact CB-CB 4.06Å; E60-E63 HydrophobicContact CB-CG 3.95Å; E60-E63 PolarHBondContact O-N 2.01Å
61	P	96.5	Very high	98	Very high	114 Å²	114	52.7 Å²	52.7	74%	0.74	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	123	176.4	-26.1	35	0	0	0	112.6	E63	P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 2.76Å
62	G	97.2	Very high	98.1	Very high	88 Å²	88	58.4 Å²	58.4	91%	0.907	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-1.7	179.1	0	0	0	0	0	115.5	E60	E60-G62 PolarHBondContact O-N 2.91Å
63	E	97.7	Very high	98.1	Very high	95 Å²	95	56.6 Å²	56.6	44%	0.444	30%	0.304	S	S	.	.	S	Bend	trans	-102.2	169.6	178.8	-67.1	-78.1	139.9	0	0	111.6	Q59 E60 P61 K66	Q59-E63 VanDerWaalsContact CG-O 3.26Å; Q59-E63 WeakPolarHBondContact CG-O 3.34Å; Q59-E63 PolarHBondContact NE2-O 3.42Å; E60-E63 HydrophobicContact CB-CB 4.06Å; E60-E63 HydrophobicContact CB-CG 3.95Å; E60-E63 PolarHBondContact O-N 2.01Å; P61-E63 VanDerWaalsContact C-N 3.27Å; P61-E63 PolarHBondContact O-N 2.76Å; E63-K66 IonicContact OE2-NZ 2.68Å; E63-K66 PolarHBondContact OE2-NZ 2.9Å
64	N	97.9	Very high	98.1	Very high	130 Å²	130	61 Å²	61	70%	0.695	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-83.4	154.1	170.3	-64.3	-41.4	0	0	0	111.1	K66	N64-K66 PolarHBondContact O-N 3.49Å
65	P	98.3	Very high	98.1	Very high	64 Å²	64	64.1 Å²	64.1	42%	0.416	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-57.9	131.1	172.3	-22.5	33.2	0	0	0	111.9	Y57 Q59 F110	Y57-P65 HydrophobicContact CD1-CB 4.43Å; Q59-P65 HydrophobicContact CB-CB 4.38Å; Q59-P65 HydrophobicContact CB-CG 4.25Å; Q59-P65 HydrophobicContact CG-CG 4.25Å; P65-F110 HydrophobicContact CG-CE2 4.49Å
66	K	98.5	Very high	98.1	Very high	114 Å²	114	71.8 Å²	71.8	50%	0.496	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.8	178.4	-65.7	172.5	-170	165.2	0	109.4	Y57 K58 E63 N64 I68	Y57-K66 CarbonylContact C-O 3.56Å; Y57-K66 WeakPolarHBondContact CA-O 3.47Å; K58-K66 PolarHBondContact N-O 2.87Å; K58-K66 PolarHBondContact O-N 2.87Å; E63-K66 IonicContact OE2-NZ 2.68Å; E63-K66 PolarHBondContact OE2-NZ 2.9Å; N64-K66 PolarHBondContact O-N 3.49Å; K66-I68 PolarHBondContact O-N 3.08Å
67	L	98.5	Very high	98.1	Very high	84 Å²	84	79 Å²	79	44%	0.44	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.9	174.4	178.4	70.2	0	0	0	108.8	P55 Y57 D70	P55-L67 HydrophobicContact CB-CD1 3.5Å; Y57-L67 HydrophobicContact CD1-CB 4.14Å; Y57-L67 HydrophobicContact CE1-CB 3.96Å; Y57-L67 HydrophobicContact CE1-CD1 4.21Å; L67-D70 HydrophobicContact CD1-CB 4.45Å
68	I	98.3	Very high	98.1	Very high	47 Å²	47	78 Å²	78	24%	0.241	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-38.1	-179.4	49.4	159.6	0	0	0	112.5	W56 K58 K66 L83 L96 Y109	W56-I68 HydrophobicContact CB-CD1 4.32Å; W56-I68 HydrophobicContact CB-CG1 4.11Å; W56-I68 WeakPolarHBondContact O-CG1 3.3Å; W56-I68 PolarHBondContact O-N 3.45Å; K58-I68 HydrophobicContact CB-CD1 4.14Å; K58-I68 HydrophobicContact CB-CG1 4.38Å; K58-I68 HydrophobicContact CB-CG2 3.55Å; K66-I68 PolarHBondContact O-N 3.08Å; I68-L83 HydrophobicContact CB-CD1 4.24Å; I68-L83 HydrophobicContact CD1-CD1 4.13Å; I68-L96 HydrophobicContact CD1-CD2 4.02Å; I68-Y109 HydrophobicContact CD1-CD1 3.88Å; I68-Y109 HydrophobicContact CD1-CE1 3.71Å
69	I	98.6	Very high	98.1	Very high	4 Å²	4	80.9 Å²	80.9	2%	0.021	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	153.4	177.8	-172	159.5	0	0	0	108.5	W56 K78 I80 L83 V85 L96	W56-I69 HydrophobicContact CB-CG2 3.93Å; W56-I69 HydrophobicContact CG-CG2 4.39Å; W56-I69 PolarHBondContact N-O 2.82Å; I69-K78 HydrophobicContact CD1-CD 4.44Å; I69-K78 HydrophobicContact CD1-CG 4.5Å; I69-K78 HydrophobicContact CG1-CD 4.2Å; I69-I80 HydrophobicContact CD1-CB 4.2Å; I69-I80 HydrophobicContact CD1-CD1 4.1Å; I69-I80 HydrophobicContact CD1-CG1 3.98Å; I69-I80 HydrophobicContact CG1-CD1 4.13Å; I69-L83 HydrophobicContact CD1-CB 4.29Å; I69-V85 HydrophobicContact CB-CG2 4.26Å; I69-V85 HydrophobicContact CD1-CG2 3.88Å; I69-V85 HydrophobicContact CG1-CG2 3.84Å; I69-V85 HydrophobicContact CG2-CG2 3.43Å; I69-V85 VanDerWaalsContact CG2-CG2 3.43Å; I69-L96 HydrophobicContact CG2-CD1 3.8Å
70	D	98.3	Very high	98.1	Very high	29 Å²	29	82.3 Å²	82.3	16%	0.155	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161.1	172.9	61.5	50.1	0	0	0	110.2	Y53 F54 P55 L67 K78	Y53-D70 HydrophobicContact CD2-CB 4.28Å; Y53-D70 HydrophobicContact CE2-CB 3.4Å; Y53-D70 VanDerWaalsContact CE2-CB 3.4Å; Y53-D70 VanDerWaalsContact CE2-CG 3.43Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.18Å; Y53-D70 PolarHBondContact OH-OD2 2.91Å; Y53-D70 VanDerWaalsContact OH-OD2 3.05Å; F54-D70 WeakPolarHBondContact O-CA 3.21Å; P55-D70 HydrophobicContact CB-CB 4.27Å; L67-D70 HydrophobicContact CD1-CB 4.45Å; D70-K78 WeakPolarHBondContact O-CD 3.44Å; D70-K78 WeakPolarHBondContact O-CE 2.92Å; D70-K78 PolarHBondContact O-NZ 2.93Å; D70-K78 IonicContact OD1-NZ 2.75Å; D70-K78 PolarHBondContact OD1-NZ 3.33Å
71	I	98.7	Very high	98	Very high	0 Å²	0	86.4 Å²	86.4	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.6	168.9	-167.2	164.3	0	0	0	109.9	F54 M75 K78 V85 L87	F54-I71 HydrophobicContact CB-CG2 3.74Å; F54-I71 HydrophobicContact CD2-CG2 4.21Å; F54-I71 HydrophobicContact CG-CG2 4.36Å; F54-I71 PolarHBondContact N-O 3Å; F54-I71 PolarHBondContact O-N 2.92Å; F54-I71 VanDerWaalsContact O-N 3.08Å; I71-M75 HydrophobicContact CD1-CB 4.03Å; I71-M75 HydrophobicContact CG1-CB 3.81Å; I71-M75 HydrophobicContact CG1-CE 3.97Å; I71-K78 HydrophobicContact CD1-CB 4.15Å; I71-K78 HydrophobicContact CG1-CB 4.33Å; I71-V85 HydrophobicContact CB-CB 4.47Å; I71-V85 HydrophobicContact CB-CG1 3.91Å; I71-V85 HydrophobicContact CD1-CG1 4.35Å; I71-V85 HydrophobicContact CG2-CG1 3.48Å; I71-V85 VanDerWaalsContact CG2-CG1 3.48Å; I71-L87 HydrophobicContact CD1-CB 3.89Å; I71-L87 HydrophobicContact CG1-CB 4.42Å; I71-L87 HydrophobicContact CG2-CB 4.06Å; I71-L87 HydrophobicContact CG2-CD2 4.31Å
72	R	98.4	Very high	98	Very high	120 Å²	120	84.2 Å²	84.2	45%	0.453	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.5	176.7	-62.4	-74.5	178.1	175.6	-1.5	109.2	N52 N74 M75	N52-R72 WeakPolarHBondContact O-CA 3.01Å; R72-N74 VanDerWaalsContact CB-OD1 3.25Å; R72-N74 WeakPolarHBondContact CB-OD1 3.21Å; R72-N74 PolarHBondContact O-N 3.28Å; R72-M75 HydrophobicContact CB-CE 3.75Å; R72-M75 HydrophobicContact CG-CE 4.06Å; R72-M75 VanDerWaalsContact N-CE 3.29Å; R72-M75 PolarHBondContact O-N 2.98Å
73	S	97.4	Very high	98	Very high	36 Å²	36	80.9 Å²	80.9	25%	0.252	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.3	-175.6	53.3	0	0	0	0	116.7	N52 M75	N52-S73 WeakPolarHBondContact CB-OG 3.41Å; N52-S73 PolarHBondContact O-N 3.39Å; N52-S73 VanDerWaalsContact OD1-CB 3.3Å; N52-S73 WeakPolarHBondContact OD1-CB 3.27Å; N52-S73 PolarHBondContact OD1-OG 3.41Å; S73-M75 VanDerWaalsContact C-N 3.32Å
74	N	97.2	Very high	98.1	Very high	138 Å²	138	77.4 Å²	77.4	74%	0.738	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	3.8	174.4	68.2	-31.4	0	0	0	113.5	R72	R72-N74 VanDerWaalsContact CB-OD1 3.25Å; R72-N74 WeakPolarHBondContact CB-OD1 3.21Å; R72-N74 PolarHBondContact O-N 3.28Å
75	M	98.4	Very high	98.1	Very high	64 Å²	64	71.2 Å²	71.2	32%	0.315	34%	0.34	S	S	.	.			trans	-123	142.1	178.7	-62.4	-177.5	-68.2	0	0	110	I71 R72 S73 L87	I71-M75 HydrophobicContact CD1-CB 4.03Å; I71-M75 HydrophobicContact CG1-CB 3.81Å; I71-M75 HydrophobicContact CG1-CE 3.97Å; R72-M75 HydrophobicContact CB-CE 3.75Å; R72-M75 HydrophobicContact CG-CE 4.06Å; R72-M75 VanDerWaalsContact N-CE 3.29Å; R72-M75 PolarHBondContact O-N 2.98Å; S73-M75 VanDerWaalsContact C-N 3.32Å; M75-L87 WeakPolarHBondContact O-CD2 3.14Å
76	E	98.5	Very high	98.1	Very high	164 Å²	164	71.4 Å²	71.4	77%	0.766	34%	0.337	S	S	*	.	S	Bend	trans	-97.3	-22.5	174.1	-64.3	179.2	170.2	0	0	112.1	L86 L87	E76-L86 CarbonylContact O-C 3.55Å; E76-L86 WeakPolarHBondContact O-CA 3.3Å; E76-L87 PolarHBondContact O-N 3.46Å
77	R	98.7	Very high	98.2	Very high	150 Å²	150	66.5 Å²	66.5	57%	0.566	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.4	-179.3	177	175.8	177	-154.3	0.2	110.8	I84 V85 L86	R77-I84 HydrophobicContact CG-CG2 4.29Å; R77-V85 WeakPolarHBondContact CA-O 3.5Å; R77-L86 HydrophobicContact CB-CD2 3.93Å; R77-L86 HydrophobicContact CG-CD2 3.78Å
78	K	98.7	Very high	98.1	Very high	57 Å²	57	66.5 Å²	66.5	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.6	166.3	-168.8	-172.3	-177.4	174.9	0	109	I69 D70 I71 I84 V85	I69-K78 HydrophobicContact CD1-CD 4.44Å; I69-K78 HydrophobicContact CD1-CG 4.5Å; I69-K78 HydrophobicContact CG1-CD 4.2Å; D70-K78 WeakPolarHBondContact O-CD 3.44Å; D70-K78 WeakPolarHBondContact O-CE 2.92Å; D70-K78 PolarHBondContact O-NZ 2.93Å; D70-K78 IonicContact OD1-NZ 2.75Å; D70-K78 PolarHBondContact OD1-NZ 3.33Å; I71-K78 HydrophobicContact CD1-CB 4.15Å; I71-K78 HydrophobicContact CG1-CB 4.33Å; K78-I84 WeakPolarHBondContact O-CA 3.48Å; K78-V85 PolarHBondContact N-O 2.88Å; K78-V85 PolarHBondContact O-N 2.84Å
79	Q	98.5	Very high	98.1	Very high	93 Å²	93	68.2 Å²	68.2	44%	0.435	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137	178.7	178.5	168.1	-13	0	0	110.6	Q81 L83 I84	Q79-Q81 PolarHBondContact NE2-O 3.21Å; Q79-Q81 VanDerWaalsContact NE2-O 3.14Å; Q79-L83 CarbonylContact C-O 3.59Å; Q79-L83 VanDerWaalsContact CA-O 3.27Å; Q79-L83 WeakPolarHBondContact CA-O 3.44Å; Q79-I84 HydrophobicContact CB-CG1 4.11Å; Q79-I84 HydrophobicContact CG-CG1 3.68Å
80	I	97.7	Very high	98	Very high	70 Å²	70	77.7 Å²	77.7	36%	0.359	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	116.2	170.4	-61.3	175.3	0	0	0	106.4	I69 E82 L83	I69-I80 HydrophobicContact CD1-CB 4.2Å; I69-I80 HydrophobicContact CD1-CD1 4.1Å; I69-I80 HydrophobicContact CD1-CG1 3.98Å; I69-I80 HydrophobicContact CG1-CD1 4.13Å; I80-E82 PolarHBondContact O-N 2.85Å; I80-L83 PolarHBondContact N-O 2.75Å; I80-L83 WeakPolarHBondContact O-CA 3.48Å; I80-L83 WeakPolarHBondContact O-CB 3.36Å; I80-L83 PolarHBondContact O-N 3.29Å
81	Q	95.6	Very high	97.9	Very high	153 Å²	153	78.6 Å²	78.6	72%	0.715	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	-124.4	-177.4	-52.4	172.4	-69.6	0	0	110.8	Q79 L83	Q79-Q81 PolarHBondContact NE2-O 3.21Å; Q79-Q81 VanDerWaalsContact NE2-O 3.14Å; Q81-L83 VanDerWaalsContact C-N 3.35Å
82	E	96.5	Very high	97.9	Very high	69 Å²	69	81.7 Å²	81.7	32%	0.322	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.1	175.7	63.9	-77.5	171.4	0	0	115.4	I80 I98 T99	I80-E82 PolarHBondContact O-N 2.85Å; E82-I98 HydrophobicContact CG-CG2 4.13Å; E82-I98 WeakPolarHBondContact O-CA 3.26Å; E82-T99 WeakPolarHBondContact CA-OG1 3.26Å; E82-T99 WeakPolarHBondContact CB-O 3.46Å; E82-T99 PolarHBondContact O-N 3.01Å; E82-T99 PolarHBondContact O-OG1 2.88Å
83	L	98.4	Very high	97.9	Very high	17 Å²	17	83.8 Å²	83.8	9%	0.089	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.4	-176.8	-55.9	-180	0	0	0	110.6	I68 I69 Q79 I80 Q81 L96 H97 I98	I68-L83 HydrophobicContact CB-CD1 4.24Å; I68-L83 HydrophobicContact CD1-CD1 4.13Å; I69-L83 HydrophobicContact CD1-CB 4.29Å; Q79-L83 CarbonylContact C-O 3.59Å; Q79-L83 VanDerWaalsContact CA-O 3.27Å; Q79-L83 WeakPolarHBondContact CA-O 3.44Å; I80-L83 PolarHBondContact N-O 2.75Å; I80-L83 WeakPolarHBondContact O-CA 3.48Å; I80-L83 WeakPolarHBondContact O-CB 3.36Å; I80-L83 PolarHBondContact O-N 3.29Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; L83-L96 HydrophobicContact CB-CD1 4.41Å; L83-L96 HydrophobicContact CD2-CD1 4.43Å; L83-H97 WeakPolarHBondContact CA-O 3.39Å; L83-I98 HydrophobicContact CD2-CB 4.4Å; L83-I98 HydrophobicContact CD2-CD1 4.31Å; L83-I98 HydrophobicContact CD2-CG1 3.76Å; L83-I98 HydrophobicContact CD2-CG2 4.24Å
84	I	98.7	Very high	98	Very high	23 Å²	23	82.2 Å²	82.2	12%	0.118	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	174.5	-57.6	169.6	0	0	0	108.5	R77 K78 Q79 L86 L96 H97 T99	R77-I84 HydrophobicContact CG-CG2 4.29Å; K78-I84 WeakPolarHBondContact O-CA 3.48Å; Q79-I84 HydrophobicContact CB-CG1 4.11Å; Q79-I84 HydrophobicContact CG-CG1 3.68Å; I84-L86 HydrophobicContact CG2-CD2 3.99Å; I84-L86 HydrophobicContact CG2-CG 4.34Å; I84-L96 CarbonylContact O-C 3.46Å; I84-H97 HydrophobicContact CB-CB 4.15Å; I84-H97 PolarHBondContact N-O 3.05Å; I84-H97 PolarHBondContact O-N 2.63Å; I84-T99 HydrophobicContact CD1-CG2 3.78Å
85	V	98.8	Very high	98	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.6	169	-179	0	0	0	0	109.5	I69 I71 R77 K78 S95 L96	I69-V85 HydrophobicContact CB-CG2 4.26Å; I69-V85 HydrophobicContact CD1-CG2 3.88Å; I69-V85 HydrophobicContact CG1-CG2 3.84Å; I69-V85 HydrophobicContact CG2-CG2 3.43Å; I69-V85 VanDerWaalsContact CG2-CG2 3.43Å; I71-V85 HydrophobicContact CB-CB 4.47Å; I71-V85 HydrophobicContact CB-CG1 3.91Å; I71-V85 HydrophobicContact CD1-CG1 4.35Å; I71-V85 HydrophobicContact CG2-CG1 3.48Å; I71-V85 VanDerWaalsContact CG2-CG1 3.48Å; R77-V85 WeakPolarHBondContact CA-O 3.5Å; K78-V85 PolarHBondContact N-O 2.88Å; K78-V85 PolarHBondContact O-N 2.84Å; V85-S95 VanDerWaalsContact CA-O 3.23Å; V85-S95 WeakPolarHBondContact CA-O 3.29Å; V85-L96 HydrophobicContact CG2-CD1 3.92Å
86	L	98.8	Very high	98.1	Very high	67 Å²	67	73.1 Å²	73.1	35%	0.351	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.8	171.4	-56.2	178.8	0	0	0	109.3	E76 R77 I84 F94 S95	E76-L86 CarbonylContact O-C 3.55Å; E76-L86 WeakPolarHBondContact O-CA 3.3Å; R77-L86 HydrophobicContact CB-CD2 3.93Å; R77-L86 HydrophobicContact CG-CD2 3.78Å; I84-L86 HydrophobicContact CG2-CD2 3.99Å; I84-L86 HydrophobicContact CG2-CG 4.34Å; L86-F94 CarbonylContact O-C 3.46Å; L86-F94 WeakPolarHBondContact O-CA 3.42Å; L86-F94 VanDerWaalsContact O-CB 3.29Å; L86-F94 WeakPolarHBondContact O-CB 3.26Å; L86-S95 PolarHBondContact N-O 3.23Å; L86-S95 PolarHBondContact O-N 3.08Å
87	L	98.8	Very high	98.1	Very high	12 Å²	12	67.9 Å²	67.9	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.3	176.9	173.9	63.6	0	0	0	110	Y46 F54 I71 M75 E76 F94	Y46-L87 HydrophobicContact CE1-CD1 4.44Å; F54-L87 HydrophobicContact CD1-CD1 4.44Å; F54-L87 HydrophobicContact CD2-CD1 3.94Å; F54-L87 HydrophobicContact CD2-CD2 3.68Å; F54-L87 HydrophobicContact CD2-CG 4.47Å; F54-L87 HydrophobicContact CE1-CD1 4.33Å; F54-L87 HydrophobicContact CE2-CD1 3.82Å; F54-L87 HydrophobicContact CE2-CD2 3.55Å; F54-L87 HydrophobicContact CE2-CG 4.39Å; F54-L87 HydrophobicContact CG-CD1 4.25Å; F54-L87 HydrophobicContact CZ-CD1 4.02Å; F54-L87 HydrophobicContact CZ-CD2 4.45Å; I71-L87 HydrophobicContact CD1-CB 3.89Å; I71-L87 HydrophobicContact CG1-CB 4.42Å; I71-L87 HydrophobicContact CG2-CB 4.06Å; I71-L87 HydrophobicContact CG2-CD2 4.31Å; M75-L87 WeakPolarHBondContact O-CD2 3.14Å; E76-L87 PolarHBondContact O-N 3.46Å; L87-F94 HydrophobicContact CB-CB 4.47Å; L87-F94 HydrophobicContact CD1-CB 3.83Å
88	D	98.3	Very high	98	Very high	84 Å²	84	61.1 Å²	61.1	45%	0.449	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	93.5	165.5	-175.4	-17.4	0	0	0	108.9	K90 A91 K92 R93	D88-K90 VanDerWaalsContact C-N 3.26Å; D88-K90 PolarHBondContact O-N 2.8Å; D88-K90 WeakPolarHBondContact OD1-CB 3.26Å; D88-K90 PolarHBondContact OD1-N 3.14Å; D88-A91 HydrophobicContact CB-CB 4.08Å; D88-A91 PolarHBondContact O-N 2.98Å; D88-A91 PolarHBondContact OD1-N 3.45Å; D88-A91 VanDerWaalsContact OD2-CB 3.26Å; D88-A91 WeakPolarHBondContact OD2-CB 3.48Å; D88-K92 PolarHBondContact O-N 2.89Å; D88-R93 CarbonylContact C-O 3.57Å; D88-R93 PolarHBondContact N-O 2.94Å; D88-R93 PolarHBondContact O-N 2.7Å
89	K	96.5	Very high	98	Very high	82 Å²	82	60.8 Å²	60.8	36%	0.357	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31	179.8	-170.8	171.9	-174.8	167.8	0	112.4	N52 K92	N52-K89 PolarHBondContact OD1-NZ 2.88Å; K89-K92 PolarHBondContact O-N 2.83Å
90	K	96.5	Very high	97.9	Very high	204 Å²	204	60.7 Å²	60.7	89%	0.887	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-40.6	-179.4	-175.9	-178.9	177.2	-176.1	0	110.7	D88 K92	D88-K90 VanDerWaalsContact C-N 3.26Å; D88-K90 PolarHBondContact O-N 2.8Å; D88-K90 WeakPolarHBondContact OD1-CB 3.26Å; D88-K90 PolarHBondContact OD1-N 3.14Å; K90-K92 VanDerWaalsContact C-N 3.27Å
91	A	97.9	Very high	97.9	Very high	47 Å²	47	57.7 Å²	57.7	39%	0.388	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.6	174.8	0	0	0	0	0	113.6	D88 R93	D88-A91 HydrophobicContact CB-CB 4.08Å; D88-A91 PolarHBondContact O-N 2.98Å; D88-A91 PolarHBondContact OD1-N 3.45Å; D88-A91 VanDerWaalsContact OD2-CB 3.26Å; D88-A91 WeakPolarHBondContact OD2-CB 3.48Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 HydrophobicContact CB-CB 4.49Å; A91-R93 PolarHBondContact O-N 3.14Å
92	K	97.7	Very high	98	Very high	66 Å²	66	54.2 Å²	54.2	29%	0.287	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	48.1	-173	-57.5	-175.7	176.3	-172.2	0	112.7	S45 Y46 E47 S49 D88 K89 K90	S45-K92 WeakPolarHBondContact CA-O 3.3Å; Y46-K92 VanDerWaalsContact CD1-C 3.46Å; Y46-K92 HydrophobicContact CD1-CB 4.17Å; Y46-K92 VanDerWaalsContact CD1-O 3.24Å; Y46-K92 WeakPolarHBondContact CD1-O 3.29Å; Y46-K92 HydrophobicContact CD2-CB 4.42Å; Y46-K92 HydrophobicContact CE1-CB 3.91Å; Y46-K92 WeakPolarHBondContact CE1-O 3.09Å; Y46-K92 HydrophobicContact CE2-CB 4.15Å; Y46-K92 HydrophobicContact CE2-CG 4.27Å; Y46-K92 HydrophobicContact CG-CB 4.41Å; Y46-K92 PolarHBondContact N-O 2.89Å; Y46-K92 VanDerWaalsContact N-O 3.14Å; Y46-K92 VanDerWaalsContact O-CB 3.3Å; Y46-K92 WeakPolarHBondContact O-CB 3.24Å; E47-K92 PolarHBondContact O-NZ 2.93Å; S49-K92 WeakPolarHBondContact OG-CE 3.23Å; S49-K92 PolarHBondContact OG-NZ 3.36Å; D88-K92 PolarHBondContact O-N 2.89Å; K89-K92 PolarHBondContact O-N 2.83Å; K90-K92 VanDerWaalsContact C-N 3.27Å
93	R	98.5	Very high	98	Very high	163 Å²	163	54.8 Å²	54.8	62%	0.615	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.1	-177.5	-74.4	175.3	179	-179	-1.8	111.1	C44 D88 A91	C44-R93 CarbonylContact O-C 3.6Å; C44-R93 VanDerWaalsContact O-CA 3.26Å; C44-R93 WeakPolarHBondContact O-CA 3.27Å; D88-R93 CarbonylContact C-O 3.57Å; D88-R93 PolarHBondContact N-O 2.94Å; D88-R93 PolarHBondContact O-N 2.7Å; A91-R93 VanDerWaalsContact C-N 3.31Å; A91-R93 HydrophobicContact CB-CB 4.49Å; A91-R93 PolarHBondContact O-N 3.14Å
94	F	98.7	Very high	97.9	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.2	171.8	61.7	-73.4	0	0	0	109.4	C44 Y46 F54 W56 L86 L87 C111 A112	C44-F94 HydrophobicContact CB-CD1 4.07Å; C44-F94 HydrophobicContact CB-CD2 4.36Å; C44-F94 HydrophobicContact CB-CE1 3.61Å; C44-F94 HydrophobicContact CB-CE2 3.97Å; C44-F94 HydrophobicContact CB-CG 4.41Å; C44-F94 HydrophobicContact CB-CZ 3.55Å; C44-F94 PolarHBondContact N-O 2.79Å; C44-F94 PolarHBondContact O-N 2.78Å; C44-F94 VanDerWaalsContact O-O 3.09Å; Y46-F94 AromaticContact CD1-CD1 3.75Å; Y46-F94 HydrophobicContact CD1-CD1 3.75Å; Y46-F94 AromaticContact CD1-CE1 3.82Å; Y46-F94 HydrophobicContact CD1-CE1 3.82Å; Y46-F94 HydrophobicContact CE1-CD1 4.1Å; F54-F94 HydrophobicContact CB-CD2 3.93Å; F54-F94 HydrophobicContact CB-CE2 3.99Å; F54-F94 HydrophobicContact CB-CG 4.27Å; F54-F94 HydrophobicContact CB-CZ 4.41Å; F54-F94 AromaticContact CD1-CD1 3.83Å; F54-F94 HydrophobicContact CD1-CD1 3.83Å; F54-F94 AromaticContact CD1-CE1 3.82Å; F54-F94 HydrophobicContact CD1-CE1 3.82Å; F54-F94 HydrophobicContact CD1-CG 4.23Å; F54-F94 HydrophobicContact CD1-CZ 4.17Å; F54-F94 HydrophobicContact CE1-CD1 4.45Å; F54-F94 HydrophobicContact CG-CD1 4.5Å; F54-F94 HydrophobicContact CG-CG 4.46Å; W56-F94 AromaticContact CE2-CD2 3.78Å; W56-F94 AromaticContact CE2-CE2 3.77Å; W56-F94 AromaticContact CZ2-CD2 3.79Å; W56-F94 HydrophobicContact CZ2-CD2 3.79Å; W56-F94 AromaticContact CZ2-CE2 3.86Å; W56-F94 HydrophobicContact CZ2-CE2 3.86Å; W56-F94 AromaticContact NE1-CD2 3.4Å; W56-F94 AromaticContact NE1-CE2 3.63Å; L86-F94 CarbonylContact O-C 3.46Å; L86-F94 WeakPolarHBondContact O-CA 3.42Å; L86-F94 VanDerWaalsContact O-CB 3.29Å; L86-F94 WeakPolarHBondContact O-CB 3.26Å; L87-F94 HydrophobicContact CB-CB 4.47Å; L87-F94 HydrophobicContact CD1-CB 3.83Å; F94-C111 HydrophobicContact CE2-CB 3.59Å; F94-C111 HydrophobicContact CZ-CB 3.67Å; F94-A112 VanDerWaalsContact CZ-O 3.29Å; F94-A112 WeakPolarHBondContact CZ-O 3.36Å
95	S	98.8	Very high	97.8	Very high	11 Å²	11	56.7 Å²	56.7	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.3	-175.5	59.4	0	0	0	0	111.3	I42 V85 L86 H97	I42-S95 CarbonylContact O-C 3.58Å; I42-S95 WeakPolarHBondContact O-CA 3.37Å; I42-S95 WeakPolarHBondContact O-CB 3.39Å; V85-S95 VanDerWaalsContact CA-O 3.23Å; V85-S95 WeakPolarHBondContact CA-O 3.29Å; L86-S95 PolarHBondContact N-O 3.23Å; L86-S95 PolarHBondContact O-N 3.08Å; S95-H97 PolarHBondContact OG-CD2 2.96Å; S95-H97 VanDerWaalsContact OG-CD2 3.29Å; S95-H97 PolarHBondContact OG-NE2 3Å
96	L	98.8	Very high	97.7	Very high	1 Å²	1	61 Å²	61	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.3	166.2	178.5	66	0	0	0	108.3	S41 I42 W56 I68 I69 L83 I84 V85 Y109	S41-L96 CarbonylContact C-O 3.59Å; S41-L96 VanDerWaalsContact CA-O 3.28Å; S41-L96 WeakPolarHBondContact CA-O 3.4Å; I42-L96 PolarHBondContact N-O 3.02Å; I42-L96 PolarHBondContact O-N 2.95Å; W56-L96 HydrophobicContact CD2-CB 3.63Å; W56-L96 HydrophobicContact CD2-CD2 4.09Å; W56-L96 HydrophobicContact CD2-CG 4.36Å; W56-L96 HydrophobicContact CE3-CB 3.77Å; W56-L96 HydrophobicContact CE3-CD2 3.81Å; W56-L96 HydrophobicContact CE3-CG 4.42Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD2 4.41Å; W56-L96 HydrophobicContact CH2-CB 3.85Å; W56-L96 HydrophobicContact CZ2-CB 3.74Å; W56-L96 HydrophobicContact CZ3-CB 3.87Å; W56-L96 HydrophobicContact CZ3-CD2 4.36Å; I68-L96 HydrophobicContact CD1-CD2 4.02Å; I69-L96 HydrophobicContact CG2-CD1 3.8Å; L83-L96 HydrophobicContact CB-CD1 4.41Å; L83-L96 HydrophobicContact CD2-CD1 4.43Å; I84-L96 CarbonylContact O-C 3.46Å; V85-L96 HydrophobicContact CG2-CD1 3.92Å; L96-Y109 HydrophobicContact CD2-CD1 3.56Å; L96-Y109 HydrophobicContact CD2-CE1 3.93Å; L96-Y109 HydrophobicContact CD2-CG 4.46Å
97	H	98.7	Very high	97.6	Very high	53 Å²	53	59.3 Å²	59.3	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.8	172.7	-64.1	-105.3	0	0	0	108.9	A40 L83 I84 S95	A40-H97 VanDerWaalsContact O-CA 3.3Å; A40-H97 WeakPolarHBondContact O-CA 3.38Å; L83-H97 WeakPolarHBondContact CA-O 3.39Å; I84-H97 HydrophobicContact CB-CB 4.15Å; I84-H97 PolarHBondContact N-O 3.05Å; I84-H97 PolarHBondContact O-N 2.63Å; S95-H97 PolarHBondContact OG-CD2 2.96Å; S95-H97 VanDerWaalsContact OG-CD2 3.29Å; S95-H97 PolarHBondContact OG-NE2 3Å
98	I	98.4	Very high	97.6	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.5	173.3	-49.8	-179.7	0	0	0	106.3	S39 A40 E82 L83 T101 Y109	S39-I98 VanDerWaalsContact CA-O 3.31Å; S39-I98 WeakPolarHBondContact CA-O 3.45Å; A40-I98 HydrophobicContact CB-CB 4.43Å; A40-I98 PolarHBondContact N-O 2.86Å; A40-I98 PolarHBondContact O-N 3.25Å; E82-I98 HydrophobicContact CG-CG2 4.13Å; E82-I98 WeakPolarHBondContact O-CA 3.26Å; L83-I98 HydrophobicContact CD2-CB 4.4Å; L83-I98 HydrophobicContact CD2-CD1 4.31Å; L83-I98 HydrophobicContact CD2-CG1 3.76Å; L83-I98 HydrophobicContact CD2-CG2 4.24Å; I98-T101 HydrophobicContact CB-CG2 4.07Å; I98-T101 HydrophobicContact CG2-CG2 3.94Å; I98-Y109 HydrophobicContact CD1-CE1 4Å; I98-Y109 HydrophobicContact CD1-CE2 4.42Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.49Å
99	T	96.8	Very high	97.6	Very high	49 Å²	49	60.5 Å²	60.5	30%	0.301	32%	0.324	S	S	.	.	S	Bend	trans	-90	134.4	176.8	61.8	0	0	0	0	109.5	E82 I84	E82-T99 WeakPolarHBondContact CA-OG1 3.26Å; E82-T99 WeakPolarHBondContact CB-O 3.46Å; E82-T99 PolarHBondContact O-N 3.01Å; E82-T99 PolarHBondContact O-OG1 2.88Å; I84-T99 HydrophobicContact CD1-CG2 3.78Å
100	D	97	Very high	97.7	Very high	92 Å²	92	60.5 Å²	60.5	49%	0.492	32%	0.324	S	S	.	.	S	Bend	trans	62.3	61.3	-179.4	-169.6	49.3	0	0	0	113.3	G37 Q102	G37-D100 VanDerWaalsContact CA-OD1 3.3Å; G37-D100 WeakPolarHBondContact CA-OD1 3.3Å; D100-Q102 PolarHBondContact O-N 3.01Å; D100-Q102 PolarHBondContact OD2-NE2 3.37Å; D100-Q102 VanDerWaalsContact OD2-NE2 3.13Å
101	T	98	Very high	97.8	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.037	29%	0.287	C	S	.	.			trans	-59.8	133.3	-176.5	49.5	0	0	0	0	113.1	V34 Q35 E36 G37 S38 A40 I98 D105	V34-T101 HydrophobicContact CG2-CG2 4.11Å; Q35-T101 PolarHBondContact O-OG1 2.99Å; Q35-T101 VanDerWaalsContact O-OG1 3.1Å; E36-T101 CarbonylContact C-O 3.59Å; E36-T101 WeakPolarHBondContact CA-O 3.32Å; G37-T101 PolarHBondContact N-O 3.34Å; S38-T101 WeakPolarHBondContact O-CB 3.4Å; S38-T101 VanDerWaalsContact O-CG2 3.26Å; S38-T101 WeakPolarHBondContact O-CG2 3.16Å; S38-T101 PolarHBondContact O-N 2.75Å; S38-T101 PolarHBondContact O-OG1 3.4Å; A40-T101 HydrophobicContact CB-CG2 3.71Å; I98-T101 HydrophobicContact CB-CG2 4.07Å; I98-T101 HydrophobicContact CG2-CG2 3.94Å; T101-D105 WeakPolarHBondContact CA-OD2 3.49Å
102	Q	97.4	Very high	97.8	Very high	81 Å²	81	50.8 Å²	50.8	38%	0.379	28%	0.281	S	S	.	.			trans	-111.3	158.2	179.7	-60.9	-61.6	-21.3	0	0	110.7	D100 G104 D105	D100-Q102 PolarHBondContact O-N 3.01Å; D100-Q102 PolarHBondContact OD2-NE2 3.37Å; D100-Q102 VanDerWaalsContact OD2-NE2 3.13Å; Q102-G104 PolarHBondContact O-N 3.31Å; Q102-G104 VanDerWaalsContact O-N 3.07Å; Q102-D105 PolarHBondContact N-OD2 2.75Å; Q102-D105 WeakPolarHBondContact O-CB 3.12Å; Q102-D105 PolarHBondContact O-N 2.96Å
103	P	96.3	Very high	97.7	Very high	80 Å²	80	48.1 Å²	48.1	52%	0.519	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-53.4	-32.4	175	-28.6	36.3	0	0	0	113.5	D105 S106	P103-D105 PolarHBondContact O-N 2.94Å; P103-S106 VanDerWaalsContact O-CB 3.32Å; P103-S106 WeakPolarHBondContact O-CB 3.42Å; P103-S106 PolarHBondContact O-N 2.89Å; P103-S106 PolarHBondContact O-OG 2.86Å
104	G	95.6	Very high	97.5	Very high	52 Å²	52	44.8 Å²	44.8	54%	0.536	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-68.4	-10.1	175.5	0	0	0	0	0	115.4	K58 Q102 S106	K58-G104 PolarHBondContact NZ-O 3.42Å; Q102-G104 PolarHBondContact O-N 3.31Å; Q102-G104 VanDerWaalsContact O-N 3.07Å; G104-S106 VanDerWaalsContact C-N 3.26Å
105	D	97	Very high	97.5	Very high	28 Å²	28	46.9 Å²	46.9	15%	0.15	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-82.9	-4.8	173.4	-62.3	-37.6	0	0	0	112.7	T101 Q102 P103 A107 Y109	T101-D105 WeakPolarHBondContact CA-OD2 3.49Å; Q102-D105 PolarHBondContact N-OD2 2.75Å; Q102-D105 WeakPolarHBondContact O-CB 3.12Å; Q102-D105 PolarHBondContact O-N 2.96Å; P103-D105 PolarHBondContact O-N 2.94Å; D105-A107 PolarHBondContact O-N 2.83Å; D105-Y109 WeakPolarHBondContact O-CE2 2.83Å; D105-Y109 PolarHBondContact O-OH 3.36Å
106	S	97	Very high	97.4	Very high	92 Å²	92	48.8 Å²	48.8	64%	0.643	30%	0.297	S	S	*	.			trans	-69.8	94.3	178.7	-58.7	0	0	0	0	111.3	P103 G104	P103-S106 VanDerWaalsContact O-CB 3.32Å; P103-S106 WeakPolarHBondContact O-CB 3.42Å; P103-S106 PolarHBondContact O-N 2.89Å; P103-S106 PolarHBondContact O-OG 2.86Å; G104-S106 VanDerWaalsContact C-N 3.26Å
107	A	97.7	Very high	97.3	Very high	31 Å²	31	51.4 Å²	51.4	26%	0.256	31%	0.313	S	S	.	.	S	Bend	trans	-153.1	176.7	-177.5	0	0	0	0	0	112	K58 D105 Y109	K58-A107 HydrophobicContact CD-CB 4.16Å; K58-A107 HydrophobicContact CG-CB 3.66Å; D105-A107 PolarHBondContact O-N 2.83Å; A107-Y109 HydrophobicContact CB-CE2 4.02Å
108	M	98.2	Very high	97.3	Very high	99 Å²	99	51.4 Å²	51.4	49%	0.488	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.3	165.6	-66.2	-174.2	-65.2	0	0	109.7	K58 Q59 F110	K58-M108 CarbonylContact C-O 3.56Å; K58-M108 WeakPolarHBondContact CA-O 3.36Å; Q59-M108 HydrophobicContact CB-CB 4.31Å; Q59-M108 HydrophobicContact CB-CE 4.37Å; Q59-M108 HydrophobicContact CG-CE 4.07Å; Q59-M108 PolarHBondContact N-O 2.8Å; Q59-M108 PolarHBondContact O-N 2.73Å; M108-F110 HydrophobicContact CB-CE2 3.86Å; M108-F110 HydrophobicContact CB-CZ 3.96Å; M108-F110 HydrophobicContact CE-CZ 4.4Å; M108-F110 HydrophobicContact SD-CZ 4.27Å
109	Y	98.4	Very high	97.2	Very high	22 Å²	22	54 Å²	54	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.9	177	-70.5	-100.3	0	0	0	109.7	Q27 I42 Y57 K58 I68 L96 I98 D105 A107	Q27-Y109 PolarHBondContact NE2-O 2.81Å; Q27-Y109 PolarHBondContact OE1-O 2.88Å; I42-Y109 HydrophobicContact CD1-CD2 4.18Å; I42-Y109 HydrophobicContact CD1-CG 3.92Å; Y57-Y109 VanDerWaalsContact O-CA 3.3Å; Y57-Y109 WeakPolarHBondContact O-CA 3.4Å; K58-Y109 HydrophobicContact CB-CD1 4.35Å; K58-Y109 HydrophobicContact CB-CE1 4.11Å; K58-Y109 HydrophobicContact CD-CE1 4.23Å; K58-Y109 VanDerWaalsContact CE-OH 3.3Å; K58-Y109 WeakPolarHBondContact CE-OH 3.3Å; K58-Y109 HydrophobicContact CG-CD1 4.44Å; K58-Y109 HydrophobicContact CG-CE1 3.94Å; K58-Y109 HydrophobicContact CG-CE2 4.37Å; I68-Y109 HydrophobicContact CD1-CD1 3.88Å; I68-Y109 HydrophobicContact CD1-CE1 3.71Å; L96-Y109 HydrophobicContact CD2-CD1 3.56Å; L96-Y109 HydrophobicContact CD2-CE1 3.93Å; L96-Y109 HydrophobicContact CD2-CG 4.46Å; I98-Y109 HydrophobicContact CD1-CE1 4Å; I98-Y109 HydrophobicContact CD1-CE2 4.42Å; I98-Y109 WeakPolarHBondContact CD1-OH 3.49Å; D105-Y109 WeakPolarHBondContact O-CE2 2.83Å; D105-Y109 PolarHBondContact O-OH 3.36Å; A107-Y109 HydrophobicContact CB-CE2 4.02Å
110	F	98	Very high	97.2	Very high	82 Å²	82	54.3 Å²	54.3	36%	0.36	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.7	179.2	-54.3	-84.8	0	0	0	110.1	W56 Y57 Q59 P65 M108	W56-F110 CarbonylContact C-O 3.52Å; W56-F110 WeakPolarHBondContact CA-O 3.34Å; Y57-F110 PolarHBondContact N-O 2.94Å; Y57-F110 PolarHBondContact O-N 2.81Å; Q59-F110 HydrophobicContact CB-CD2 4.45Å; Q59-F110 HydrophobicContact CB-CE2 3.77Å; Q59-F110 VanDerWaalsContact OE1-CE2 3.24Å; P65-F110 HydrophobicContact CG-CE2 4.49Å; M108-F110 HydrophobicContact CB-CE2 3.86Å; M108-F110 HydrophobicContact CB-CZ 3.96Å; M108-F110 HydrophobicContact CE-CZ 4.4Å; M108-F110 HydrophobicContact SD-CZ 4.27Å
111	C	98.2	Very high	97.2	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.095	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	156.4	167	64.6	0	0	0	0	111.6	Q27 C44 W56 F94	Q27-C111 PolarHBondContact OE1-SG 2.86Å; C44-C111 HydrophobicContact CB-CB 3.74Å; C44-C111 WeakPolarHBondContact CB-SG 3.35Å; C44-C111 WeakPolarHBondContact SG-CB 3.35Å; C44-C111 CovalentContact SG-SG 2.01Å; C44-C111 PolarHBondContact SG-SG 2.87Å; W56-C111 HydrophobicContact CD2-CB 4.01Å; W56-C111 HydrophobicContact CE3-CB 3.83Å; W56-C111 HydrophobicContact CH2-CB 3.69Å; W56-C111 HydrophobicContact CZ2-CB 3.84Å; W56-C111 HydrophobicContact CZ3-CB 3.68Å; F94-C111 HydrophobicContact CE2-CB 3.59Å; F94-C111 HydrophobicContact CZ-CB 3.67Å
112	A	97.7	Very high	97.2	Very high	32 Å²	32	55.2 Å²	55.2	26%	0.264	35%	0.347	S	S	.	.			trans	-141.5	164.5	165.9	0	0	0	0	0	110.8	F54 P55 F94	F54-A112 WeakPolarHBondContact CA-O 3.45Å; P55-A112 WeakPolarHBondContact CD-O 3.48Å; P55-A112 HydrophobicContact CG-CB 4Å; P55-A112 PolarHBondContact O-N 2.96Å; P55-A112 VanDerWaalsContact O-N 3.08Å; F94-A112 VanDerWaalsContact CZ-O 3.29Å; F94-A112 WeakPolarHBondContact CZ-O 3.36Å
113	A	97.5	Very high	97.1	Very high	11 Å²	11	53 Å²	53	9%	0.091	35%	0.345	C	S	.	.			trans	-132.6	142.2	170.9	0	0	0	0	0	108.6	E23 V25 Y46 Y53 F54	E23-A113 HydrophobicContact CG-CB 4.14Å; V25-A113 HydrophobicContact CG1-CB 3.97Å; Y46-A113 HydrophobicContact CD2-CB 4.25Å; Y46-A113 HydrophobicContact CG-CB 3.98Å; Y53-A113 WeakPolarHBondContact O-CA 3.3Å; F54-A113 HydrophobicContact CD1-CB 3.83Å; F54-A113 HydrophobicContact CE1-CB 3.86Å
114	S	94.1	Very high	97.2	Very high	93 Å²	93	50.5 Å²	50.5	65%	0.65	33%	0.329	S	S	*	.			trans	-159.1	0	177.8	62.5	0	0	0	0	112.2	S51 N52 Y53	S51-S114 CarbonylContact C-O 3.56Å; S51-S114 WeakPolarHBondContact CA-O 3.25Å; N52-S114 PolarHBondContact N-O 2.7Å; Y53-S114 PolarHBondContact N-O 3.01Å; Y53-S114 PolarHBondContact O-N 3Å

Retrieved 114 of 114 residues in 126.5 ms (Link to these results)

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