A0A075B654_MOUSE Loading...

T cell receptor alpha variable 3-4

AlphaFold DB , UniProt , Accession A0A075B654, Species MOUSE (Mus musculus, Mouse), Gene Trav3-4, Length 114 aa.

						>A0A075B654_MOUSE|A0A075B654|Trav3-4
MKTVAGPLFLCFWLQLNCVSRGEQVEQRPPHLSVREGDSAFIICTYTDSATAYFYWYKQEPGAGLQLLMSVFSNVDRKEEQGLTVLLNKKDKRLSLNLTAAHPGDSAVYFCAVS
					

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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	41.7	Very low	54.6	Low	227 Å²	227	119.6 Å²	119.6	100%	1.118	67%	0.668	S	S	*	*				0	105.1	0	-77.2	153.6	61.4	0	0	109
2	K	44.2	Very low	55.1	Low	222 Å²	222	121.7 Å²	121.7	97%	0.965	67%	0.665	S	S	*	*			trans	-115	94.7	163.6	-77.7	-174.4	176.4	179	0	106.1
3	T	49.8	Very low	55.6	Low	113 Å²	113	127.5 Å²	127.5	69%	0.693	67%	0.671	S	S	*	*			trans	-107.6	147.3	172.4	33.1	0	0	0	0	108.6
4	V	51.1	Low	56	Low	122 Å²	122	128.4 Å²	128.4	74%	0.739	68%	0.676	S	S	*	*			trans	84.2	116.5	157.2	-160.1	0	0	0	0	116.5	L8	V4-L8 HydrophobicContact CG1-CD1 4.49Å
5	A	58.7	Low	56.4	Low	38 Å²	38	130.5 Å²	130.5	31%	0.314	68%	0.681	S	S	.	*				164.9	-23.9	111.2	0	0	0	0	0	113.4	F9	A5-F9 HydrophobicContact CB-CD2 3.83Å; A5-F9 HydrophobicContact CB-CE2 3.84Å; A5-F9 VanDerWaalsContact O-CD2 3.26Å; A5-F9 WeakPolarHBondContact O-CD2 3.26Å; A5-F9 PolarHBondContact O-N 3.29Å
6	G	58.9	Low	56.7	Low	54 Å²	54	130.8 Å²	130.8	56%	0.557	68%	0.682	S	S	*	*	H	α-helix	trans	-55.1	-51.5	-169.9	0	0	0	0	0	116.4
7	P	56	Low	57.1	Low	100 Å²	100	131.5 Å²	131.5	65%	0.649	69%	0.687	S	S	*	*	H	α-helix	trans	-78.1	-34.9	-174.2	-10.3	25	0	0	0	113.2	L10 C11	P7-L10 PolarHBondContact O-N 3.33Å; P7-C11 PolarHBondContact O-N 3.39Å
8	L	58.7	Low	57.8	Low	108 Å²	108	131.1 Å²	131.1	57%	0.565	70%	0.695	S	S	*	*	H	α-helix	trans	-64.3	-43.2	-179.1	-77.7	163.6	0	0	0	110.7	V4 L10 C11 F12	V4-L8 HydrophobicContact CG1-CD1 4.49Å; L8-L10 PolarHBondContact O-N 3.12Å; L8-C11 PolarHBondContact O-N 3.14Å; L8-F12 WeakPolarHBondContact O-CD2 3.22Å; L8-F12 PolarHBondContact O-N 3.4Å
9	F	60.5	Low	58.4	Low	133 Å²	133	130.8 Å²	130.8	58%	0.583	70%	0.699	S	S	*	*	H	α-helix	trans	-61.3	-42.1	178.3	-88.9	-93.4	0	0	0	112.3	A5 C11 F12 W13	A5-F9 HydrophobicContact CB-CD2 3.83Å; A5-F9 HydrophobicContact CB-CE2 3.84Å; A5-F9 VanDerWaalsContact O-CD2 3.26Å; A5-F9 WeakPolarHBondContact O-CD2 3.26Å; A5-F9 PolarHBondContact O-N 3.29Å; F9-C11 VanDerWaalsContact C-N 3.34Å; F9-C11 PolarHBondContact O-N 3.2Å; F9-F12 PolarHBondContact O-N 3.33Å; F9-F12 VanDerWaalsContact O-N 3.14Å; F9-W13 PolarHBondContact O-N 3.43Å; F9-W13 VanDerWaalsContact O-N 3.12Å
10	L	59.9	Low	58.9	Low	118 Å²	118	129.6 Å²	129.6	62%	0.618	70%	0.701	S	S	*	*	H	α-helix	trans	-62.2	-38.5	178.8	-76.1	165	0	0	0	113	P7 L8 W13 L14	P7-L10 PolarHBondContact O-N 3.33Å; L8-L10 PolarHBondContact O-N 3.12Å; L10-W13 PolarHBondContact O-N 2.98Å; L10-L14 PolarHBondContact O-N 3.3Å
11	C	60.6	Low	59.3	Low	81 Å²	81	135.7 Å²	135.7	55%	0.547	71%	0.714	S	S	.	*	H	α-helix	trans	-65.8	-37.1	174.4	-69.8	0	0	0	0	112.2	P7 L8 F9 W13 L14 Q15	P7-C11 PolarHBondContact O-N 3.39Å; L8-C11 PolarHBondContact O-N 3.14Å; F9-C11 VanDerWaalsContact C-N 3.34Å; F9-C11 PolarHBondContact O-N 3.2Å; C11-W13 VanDerWaalsContact C-N 3.33Å; C11-W13 PolarHBondContact O-N 3.31Å; C11-L14 PolarHBondContact O-N 3.35Å; C11-Q15 WeakPolarHBondContact O-CG 3.11Å; C11-Q15 PolarHBondContact O-N 3.47Å
12	F	61	Low	60.7	Low	144 Å²	144	127.7 Å²	127.7	63%	0.632	69%	0.69	S	S	*	*	H	α-helix	trans	-65.4	-33.2	174.7	-80	-72.1	0	0	0	112.9	L8 F9	L8-F12 WeakPolarHBondContact O-CD2 3.22Å; L8-F12 PolarHBondContact O-N 3.4Å; F9-F12 PolarHBondContact O-N 3.33Å; F9-F12 VanDerWaalsContact O-N 3.14Å
13	W	61.2	Low	62.3	Low	197 Å²	197	119.9 Å²	119.9	75%	0.746	66%	0.657	S	S	*	*	H	α-helix	trans	-69.9	-34.1	175.1	-80.4	97	0	0	0	113.3	F9 L10 C11	F9-W13 PolarHBondContact O-N 3.43Å; F9-W13 VanDerWaalsContact O-N 3.12Å; L10-W13 PolarHBondContact O-N 2.98Å; C11-W13 VanDerWaalsContact C-N 3.33Å; C11-W13 PolarHBondContact O-N 3.31Å
14	L	61.4	Low	64.3	Low	140 Å²	140	120.6 Å²	120.6	73%	0.733	65%	0.652	S	S	*	*	H	α-helix	trans	-76.4	-26.7	-179.3	-77.6	162.5	0	0	0	113.5	L10 C11 L16	L10-L14 PolarHBondContact O-N 3.3Å; C11-L14 PolarHBondContact O-N 3.35Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.17Å
15	Q	63.1	Low	66.4	Low	161 Å²	161	117.1 Å²	117.1	75%	0.752	63%	0.632	S	S	*	*	H	α-helix	trans	-76.5	-17.8	-178.2	-65.3	-85.6	-61.4	0	0	113.2	C11	C11-Q15 WeakPolarHBondContact O-CG 3.11Å; C11-Q15 PolarHBondContact O-N 3.47Å
16	L	61.2	Low	68.3	Low	135 Å²	135	119.5 Å²	119.5	71%	0.707	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-7.8	-170.2	-117.1	84.1	0	0	0	115.9	L14	L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.17Å
17	N	63	Low	70.1	Confident	142 Å²	142	119.6 Å²	119.6	76%	0.759	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	6.6	-172.3	-69.5	-39.2	0	0	0	115.3	V19	N17-V19 PolarHBondContact O-N 2.86Å; N17-V19 VanDerWaalsContact O-N 3.15Å
18	C	69.2	Low	72.1	Confident	124 Å²	124	121.8 Å²	121.8	84%	0.838	62%	0.617	S	S	*	*			trans	-89.1	62.9	171.9	-157.1	0	0	0	0	110.8
19	V	69.1	Low	74	Confident	126 Å²	126	119.1 Å²	119.1	76%	0.764	61%	0.607	S	S	*	*			trans	-91.2	103.1	163.3	-179.3	0	0	0	0	106.1	N17 R21	N17-V19 PolarHBondContact O-N 2.86Å; N17-V19 VanDerWaalsContact O-N 3.15Å; V19-R21 PolarHBondContact O-N 3.32Å
20	S	68.8	Low	75.7	Confident	107 Å²	107	119.1 Å²	119.1	75%	0.748	62%	0.62	S	S	*	*			trans	-68.2	125	170.5	57.2	0	0	0	0	108.5	G22	S20-G22 PolarHBondContact O-N 3.49Å
21	R	67	Low	77.4	Confident	257 Å²	257	120.8 Å²	120.8	97%	0.97	62%	0.624	S	S	*	*			trans	-84.2	68.5	175	-151.5	179.2	-174.4	-149.2	0.8	108	V19	V19-R21 PolarHBondContact O-N 3.32Å
22	G	70.8	Confident	79.1	Confident	59 Å²	59	120.3 Å²	120.3	61%	0.608	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-72.9	147.6	174.3	0	0	0	0	0	110.8	S20 Q24	S20-G22 PolarHBondContact O-N 3.49Å; G22-Q24 PolarHBondContact O-N 3.25Å
23	E	78.8	Confident	80.9	Confident	59 Å²	59	118.4 Å²	118.4	28%	0.276	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-64.8	129.2	166	-68.7	-170.8	142	0	0	109	D48 T51 V113 S114	E23-D48 HydrophobicContact CG-CB 4.21Å; E23-D48 WeakPolarHBondContact OE1-CB 3.28Å; E23-T51 PolarHBondContact OE1-OG1 3Å; E23-V113 HydrophobicContact CB-CG2 3.79Å; E23-V113 VanDerWaalsContact OE2-CB 3.23Å; E23-V113 WeakPolarHBondContact OE2-CB 3.45Å; E23-V113 WeakPolarHBondContact OE2-CG2 2.84Å; E23-S114 VanDerWaalsContact OE2-CA 3.3Å; E23-S114 WeakPolarHBondContact OE2-CA 3.45Å; E23-S114 PolarHBondContact OE2-N 3.2Å; E23-S114 VanDerWaalsContact OE2-N 3.13Å
24	Q	90.5	Very high	82.6	Confident	127 Å²	127	111.8 Å²	111.8	59%	0.593	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-88.9	127.3	-178.5	-170.1	179.2	-65.4	0	0	110	G22 Y46 T47	G22-Q24 PolarHBondContact O-N 3.25Å; Q24-Y46 WeakPolarHBondContact O-CA 3.43Å; Q24-T47 HydrophobicContact CB-CG2 4.13Å; Q24-T47 PolarHBondContact O-N 3.08Å
25	V	96.3	Very high	84.3	Confident	50 Å²	50	114.6 Å²	114.6	30%	0.303	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	150.9	169.8	-64.7	0	0	0	0	111.4	T45 V113	V25-T45 CarbonylContact C-O 3.55Å; V25-T45 WeakPolarHBondContact CA-O 2.99Å; V25-V113 HydrophobicContact CG1-CG1 4.41Å; V25-V113 HydrophobicContact CG1-CG2 3.41Å; V25-V113 VanDerWaalsContact CG1-CG2 3.41Å
26	E	97.5	Very high	86	Confident	88 Å²	88	113.6 Å²	113.6	41%	0.411	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.2	130.9	172.9	-171.2	-171.2	154.5	0	0	109.8	R28 C44 T45	E26-R28 IonicContact OE1-CZ 2.86Å; E26-R28 IonicContact OE1-NE 3.55Å; E26-R28 PolarHBondContact OE1-NE 3.42Å; E26-R28 IonicContact OE1-NH2 3.55Å; E26-R28 PolarHBondContact OE1-NH2 2.62Å; E26-R28 IonicContact OE2-NH2 2.62Å; E26-C44 CarbonylContact O-C 3.49Å; E26-C44 WeakPolarHBondContact O-CA 3.45Å; E26-T45 PolarHBondContact N-O 3.28Å; E26-T45 PolarHBondContact O-N 2.86Å; E26-T45 PolarHBondContact O-OG1 2.83Å
27	Q	98.2	Very high	87.7	Confident	56 Å²	56	109.4 Å²	109.4	26%	0.262	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	139.1	-179.1	-77.5	176.1	-141.5	0	0	112.7	I43 C44 Y109 C111	Q27-I43 CarbonylContact C-O 3.54Å; Q27-I43 VanDerWaalsContact CA-O 3.23Å; Q27-I43 WeakPolarHBondContact CA-O 3.34Å; Q27-C44 HydrophobicContact CG-CB 4.33Å; Q27-Y109 PolarHBondContact NE2-O 3.38Å; Q27-C111 VanDerWaalsContact CG-SG 3.52Å; Q27-C111 PolarHBondContact OE1-SG 3.49Å; Q27-C111 VanDerWaalsContact OE1-SG 3.39Å
28	R	98.1	Very high	89.3	Confident	145 Å²	145	106.6 Å²	106.6	55%	0.547	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139	138.9	175.9	-62.3	-173.9	-176.1	170.7	3.2	112.3	E26 I43	E26-R28 IonicContact OE1-CZ 2.86Å; E26-R28 IonicContact OE1-NE 3.55Å; E26-R28 PolarHBondContact OE1-NE 3.42Å; E26-R28 IonicContact OE1-NH2 3.55Å; E26-R28 PolarHBondContact OE1-NH2 2.62Å; E26-R28 IonicContact OE2-NH2 2.62Å; R28-I43 PolarHBondContact N-O 3.15Å; R28-I43 PolarHBondContact O-N 2.98Å
29	P	97.7	Very high	90.6	Very high	53 Å²	53	104.3 Å²	104.3	34%	0.344	56%	0.558	S	S	.	*	S	Bend	cis	-70.1	159.6	-11.8	33.5	-36.1	0	0	0	111.1	H31 L32	P29-H31 WeakPolarHBondContact CB-O 3.29Å; P29-H31 WeakPolarHBondContact CG-O 3.37Å; P29-H31 PolarHBondContact O-N 2.81Å; P29-L32 HydrophobicContact CG-CB 4.03Å; P29-L32 HydrophobicContact CG-CD1 4.11Å
30	P	96.1	Very high	91.9	Very high	133 Å²	133	98.7 Å²	98.7	86%	0.864	52%	0.524	S	S	*	.	S	Bend	trans	-68.3	-23.4	176.6	27.9	-35.4	0	0	0	112.9
31	H	96.9	Very high	93.3	Very high	152 Å²	152	97.9 Å²	97.9	70%	0.704	51%	0.507	S	S	*	.	S	Bend	trans	-141.9	139.5	174.1	175.2	-90.1	0	0	0	108.5	P29	P29-H31 WeakPolarHBondContact CB-O 3.29Å; P29-H31 WeakPolarHBondContact CG-O 3.37Å; P29-H31 PolarHBondContact O-N 2.81Å
32	L	96.4	Very high	94.8	Very high	71 Å²	71	86.5 Å²	86.5	37%	0.372	47%	0.466	S	S	.	.			trans	-132	130.8	180	-176.5	59.8	0	0	0	109.2	P29 V34 A40 I42	P29-L32 HydrophobicContact CG-CB 4.03Å; P29-L32 HydrophobicContact CG-CD1 4.11Å; L32-V34 HydrophobicContact CD1-CG1 3.88Å; L32-V34 HydrophobicContact CD2-CG1 4.3Å; L32-V34 HydrophobicContact CG-CG1 3.93Å; L32-A40 HydrophobicContact CD2-CB 3.74Å; L32-I42 HydrophobicContact CD2-CG1 4.47Å
33	S	97.3	Very high	96.1	Very high	104 Å²	104	86 Å²	86	73%	0.727	45%	0.449	S	S	*	.			trans	-128.2	124.3	170.4	-177.7	0	0	0	0	107.6
34	V	97.1	Very high	97	Very high	58 Å²	58	83.2 Å²	83.2	35%	0.352	44%	0.436	S	S	.	.			trans	-131.5	159.2	-177.2	-66.8	0	0	0	0	109.1	L32 D38 A40 A101	L32-V34 HydrophobicContact CD1-CG1 3.88Å; L32-V34 HydrophobicContact CD2-CG1 4.3Å; L32-V34 HydrophobicContact CG-CG1 3.93Å; V34-D38 HydrophobicContact CB-CB 4.44Å; V34-A40 HydrophobicContact CG1-CB 4.21Å; V34-A40 HydrophobicContact CG2-CB 4.08Å; V34-A101 HydrophobicContact CG2-CB 3.59Å
35	R	97.9	Very high	97.4	Very high	199 Å²	199	79.1 Å²	79.1	75%	0.751	42%	0.419	S	S	*	.			trans	-80	153.6	172.7	-59.7	176.5	172	173.9	-2	109.4	G37 D38	R35-G37 PolarHBondContact O-N 3.03Å; R35-D38 WeakPolarHBondContact CB-OD2 3.39Å; R35-D38 WeakPolarHBondContact O-CB 3.33Å; R35-D38 PolarHBondContact O-N 2.95Å; R35-D38 VanDerWaalsContact O-N 3.08Å
36	E	97.4	Very high	97.4	Very high	141 Å²	141	77.2 Å²	77.2	66%	0.659	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	135.7	170.8	-176.4	175	-171.2	0	0	110.2	D38 A101	E36-D38 PolarHBondContact O-N 2.87Å; E36-A101 CarbonylContact C-O 3.51Å; E36-A101 WeakPolarHBondContact CA-O 3.4Å
37	G	97.2	Very high	97.2	Very high	47 Å²	47	76.6 Å²	76.6	49%	0.485	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-16.9	-175.6	0	0	0	0	0	115.2	R35 A101	R35-G37 PolarHBondContact O-N 3.03Å; G37-A101 PolarHBondContact N-O 3.24Å
38	D	97.6	Very high	97	Very high	82 Å²	82	77.2 Å²	77.2	44%	0.439	41%	0.414	S	S	.	.	S	Bend	trans	-74.3	155.8	173	-70	-14.1	0	0	0	110.6	V34 R35 E36 A101	V34-D38 HydrophobicContact CB-CB 4.44Å; R35-D38 WeakPolarHBondContact CB-OD2 3.39Å; R35-D38 WeakPolarHBondContact O-CB 3.33Å; R35-D38 PolarHBondContact O-N 2.95Å; R35-D38 VanDerWaalsContact O-N 3.08Å; E36-D38 PolarHBondContact O-N 2.87Å; D38-A101 WeakPolarHBondContact O-CB 3.38Å; D38-A101 PolarHBondContact O-N 2.82Å
39	S	96.3	Very high	96.6	Very high	77 Å²	77	74.3 Å²	74.3	54%	0.538	42%	0.416	S	S	.	.			trans	-78.5	144.5	173	-52.1	0	0	0	0	111.7	L98 T99	S39-L98 CarbonylContact C-O 3.59Å; S39-L98 WeakPolarHBondContact CA-O 3.45Å; S39-L98 WeakPolarHBondContact CB-O 3.24Å; S39-T99 PolarHBondContact OG-O 3.08Å
40	A	97	Very high	96.4	Very high	7 Å²	7	75.6 Å²	75.6	6%	0.058	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.3	177.6	0	0	0	0	0	110.6	L32 V34 N97 L98	L32-A40 HydrophobicContact CD2-CB 3.74Å; V34-A40 HydrophobicContact CG1-CB 4.21Å; V34-A40 HydrophobicContact CG2-CB 4.08Å; A40-N97 WeakPolarHBondContact O-CA 3.5Å; A40-N97 PolarHBondContact O-OD1 2.73Å; A40-L98 HydrophobicContact CB-CB 4.13Å; A40-L98 HydrophobicContact CB-CD1 4.35Å; A40-L98 PolarHBondContact N-O 2.95Å; A40-L98 PolarHBondContact O-N 3.35Å
41	F	96.8	Very high	96.2	Very high	90 Å²	90	69.3 Å²	69.3	40%	0.395	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.4	-174.9	-173.1	-108.5	0	0	0	111.6	I43 S95 L96 N97	F41-I43 HydrophobicContact CD1-CD1 4.19Å; F41-I43 HydrophobicContact CD1-CG1 3.68Å; F41-I43 HydrophobicContact CE1-CD1 3.59Å; F41-I43 HydrophobicContact CE1-CG1 3.11Å; F41-I43 HydrophobicContact CZ-CG1 3.92Å; F41-S95 VanDerWaalsContact CE2-OG 3.29Å; F41-S95 WeakPolarHBondContact CE2-OG 3.38Å; F41-S95 WeakPolarHBondContact CZ-OG 3.35Å; F41-L96 WeakPolarHBondContact CA-O 3.4Å; F41-N97 HydrophobicContact CD2-CB 4.02Å
42	I	98.3	Very high	96.2	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.6	176.5	-47.5	176.9	0	0	0	108.2	L32 W56 S95 L96 Y109	L32-I42 HydrophobicContact CD2-CG1 4.47Å; I42-W56 HydrophobicContact CB-CH2 4.01Å; I42-W56 HydrophobicContact CB-CZ3 4.43Å; I42-W56 HydrophobicContact CG2-CH2 3.66Å; I42-W56 HydrophobicContact CG2-CZ3 4.03Å; I42-S95 CarbonylContact O-C 3.57Å; I42-S95 VanDerWaalsContact O-CA 3.22Å; I42-S95 WeakPolarHBondContact O-CA 3.23Å; I42-L96 PolarHBondContact N-O 2.92Å; I42-L96 PolarHBondContact O-N 2.89Å; I42-Y109 HydrophobicContact CD1-CD2 4.06Å; I42-Y109 HydrophobicContact CD1-CG 3.91Å
43	I	98.4	Very high	96.2	Very high	50 Å²	50	65.3 Å²	65.3	26%	0.256	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.4	175.9	-56.5	171.3	0	0	0	108.4	Q27 R28 F41 T45 R93	Q27-I43 CarbonylContact C-O 3.54Å; Q27-I43 VanDerWaalsContact CA-O 3.23Å; Q27-I43 WeakPolarHBondContact CA-O 3.34Å; R28-I43 PolarHBondContact N-O 3.15Å; R28-I43 PolarHBondContact O-N 2.98Å; F41-I43 HydrophobicContact CD1-CD1 4.19Å; F41-I43 HydrophobicContact CD1-CG1 3.68Å; F41-I43 HydrophobicContact CE1-CD1 3.59Å; F41-I43 HydrophobicContact CE1-CG1 3.11Å; F41-I43 HydrophobicContact CZ-CG1 3.92Å; I43-T45 HydrophobicContact CG2-CG2 4.26Å; I43-R93 HydrophobicContact CG2-CG 4.37Å
44	C	98.3	Very high	96.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123	165.5	178.5	0	0	0	0	108.9	E26 Q27 W56 R93 L94 C111	E26-C44 CarbonylContact O-C 3.49Å; E26-C44 WeakPolarHBondContact O-CA 3.45Å; Q27-C44 HydrophobicContact CG-CB 4.33Å; C44-W56 HydrophobicContact CB-CH2 3.89Å; C44-W56 HydrophobicContact CB-CZ2 3.8Å; C44-R93 WeakPolarHBondContact O-CA 3.33Å; C44-L94 WeakPolarHBondContact CA-O 3.32Å; C44-L94 HydrophobicContact CB-CB 4.29Å; C44-L94 WeakPolarHBondContact CB-O 3.08Å; C44-L94 PolarHBondContact N-O 3.24Å; C44-L94 PolarHBondContact O-N 2.71Å; C44-L94 VanDerWaalsContact O-O 3.08Å; C44-C111 HydrophobicContact CB-CB 3.41Å; C44-C111 VanDerWaalsContact CB-CB 3.41Å; C44-C111 WeakPolarHBondContact CB-SG 3.13Å; C44-C111 WeakPolarHBondContact SG-CB 3.3Å; C44-C111 CovalentContact SG-SG 2.02Å; C44-C111 PolarHBondContact SG-SG 2.74Å
45	T	98.1	Very high	96.3	Very high	40 Å²	40	60.1 Å²	60.1	25%	0.245	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.1	171.1	48.4	0	0	0	0	110.3	V25 E26 I43 K92 R93	V25-T45 CarbonylContact C-O 3.55Å; V25-T45 WeakPolarHBondContact CA-O 2.99Å; E26-T45 PolarHBondContact N-O 3.28Å; E26-T45 PolarHBondContact O-N 2.86Å; E26-T45 PolarHBondContact O-OG1 2.83Å; I43-T45 HydrophobicContact CG2-CG2 4.26Å; T45-K92 VanDerWaalsContact CA-O 3.29Å; T45-K92 WeakPolarHBondContact CA-O 2.97Å; T45-R93 HydrophobicContact CG2-CG 3.8Å
46	Y	96.5	Very high	96.3	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.6	-179.6	63.9	-85	0	0	0	111.4	Q24 D48 F54 L87 K89 K92 V113	Q24-Y46 WeakPolarHBondContact O-CA 3.43Å; Y46-D48 WeakPolarHBondContact CD2-O 3.15Å; Y46-D48 WeakPolarHBondContact CE2-O 3.44Å; Y46-F54 AromaticContact CD1-CE1 3.97Å; Y46-F54 HydrophobicContact CD1-CE1 3.97Å; Y46-F54 HydrophobicContact CD2-CE1 4.44Å; Y46-F54 HydrophobicContact CE1-CD1 4.37Å; Y46-F54 AromaticContact CE1-CE1 3.49Å; Y46-F54 HydrophobicContact CE1-CE1 3.49Å; Y46-F54 VanDerWaalsContact CE1-CE1 3.49Å; Y46-F54 HydrophobicContact CE1-CZ 4.21Å; Y46-F54 HydrophobicContact CE2-CE1 4.02Å; Y46-F54 HydrophobicContact CE2-CZ 4.26Å; Y46-F54 HydrophobicContact CG-CE1 4.42Å; Y46-F54 AromaticContact CZ-CE1 3.52Å; Y46-F54 AromaticContact CZ-CZ 3.82Å; Y46-L87 HydrophobicContact CE1-CD1 4.32Å; Y46-K89 WeakPolarHBondContact OH-CA 3.29Å; Y46-K92 VanDerWaalsContact CD1-C 3.45Å; Y46-K92 HydrophobicContact CD1-CB 4.07Å; Y46-K92 VanDerWaalsContact CD1-O 3.24Å; Y46-K92 WeakPolarHBondContact CD1-O 3.47Å; Y46-K92 HydrophobicContact CD2-CB 4.17Å; Y46-K92 HydrophobicContact CE1-CB 3.87Å; Y46-K92 WeakPolarHBondContact CE1-O 3.24Å; Y46-K92 HydrophobicContact CE2-CB 3.96Å; Y46-K92 HydrophobicContact CE2-CG 4.09Å; Y46-K92 HydrophobicContact CG-CB 4.21Å; Y46-K92 PolarHBondContact N-O 3.36Å; Y46-K92 VanDerWaalsContact N-O 3.11Å; Y46-K92 WeakPolarHBondContact O-CB 3.27Å; Y46-K92 WeakPolarHBondContact O-CD 3.41Å; Y46-V113 HydrophobicContact CD1-CG1 4.46Å; Y46-V113 HydrophobicContact CG-CG1 4.19Å
47	T	95.1	Very high	96.3	Very high	76 Å²	76	46.9 Å²	46.9	47%	0.466	27%	0.273	S	S	.	.			trans	-103.3	-33.3	-174.4	56.5	0	0	0	0	114.4	Q24 K92	Q24-T47 HydrophobicContact CB-CG2 4.13Å; Q24-T47 PolarHBondContact O-N 3.08Å; T47-K92 PolarHBondContact O-NZ 3.35Å
48	D	92.3	Very high	96.3	Very high	68 Å²	68	46 Å²	46	36%	0.364	26%	0.256	S	S	.	.			trans	-79.2	127.7	-175.2	-163.1	-20.2	0	0	0	111.3	E23 Y46 A50 T51	E23-D48 HydrophobicContact CG-CB 4.21Å; E23-D48 WeakPolarHBondContact OE1-CB 3.28Å; Y46-D48 WeakPolarHBondContact CD2-O 3.15Å; Y46-D48 WeakPolarHBondContact CE2-O 3.44Å; D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 WeakPolarHBondContact OD1-CB 3.22Å; D48-A50 PolarHBondContact OD1-N 2.88Å; D48-T51 PolarHBondContact O-OG1 3.42Å
49	S	90.6	Very high	96.4	Very high	84 Å²	84	45.3 Å²	45.3	59%	0.587	25%	0.25	S	S	*	.	S	Bend	trans	-80.7	-16.6	176.9	-62.1	0	0	0	0	113	K92	S49-K92 WeakPolarHBondContact OG-CE 3.49Å; S49-K92 PolarHBondContact OG-NZ 2.88Å
50	A	92.6	Very high	96.4	Very high	80 Å²	80	44.5 Å²	44.5	66%	0.661	24%	0.238	S	C	*	.	S	Bend	trans	-85.3	-9.5	-177.8	0	0	0	0	0	113.4	D48 A52	D48-A50 VanDerWaalsContact C-N 3.33Å; D48-A50 WeakPolarHBondContact OD1-CB 3.22Å; D48-A50 PolarHBondContact OD1-N 2.88Å; A50-A52 PolarHBondContact O-N 2.86Å
51	T	93.4	Very high	96.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	27%	0.271	C	S	.	.			trans	-49.4	128.5	177.2	-56.8	0	0	0	0	111.8	E23 D48 Y53 F54 V113	E23-T51 PolarHBondContact OE1-OG1 3Å; D48-T51 PolarHBondContact O-OG1 3.42Å; T51-Y53 WeakPolarHBondContact CG2-O 3.37Å; T51-F54 HydrophobicContact CG2-CD1 4.24Å; T51-F54 HydrophobicContact CG2-CE1 3.62Å; T51-F54 HydrophobicContact CG2-CE2 4.08Å; T51-F54 HydrophobicContact CG2-CZ 3.53Å; T51-V113 HydrophobicContact CG2-CB 3.48Å; T51-V113 VanDerWaalsContact CG2-CB 3.48Å; T51-V113 HydrophobicContact CG2-CG1 3.72Å
52	A	95.8	Very high	96.3	Very high	25 Å²	25	49.9 Å²	49.9	21%	0.207	30%	0.299	C	S	.	.			trans	-108.8	-28	-176.9	0	0	0	0	0	112.5	A50 F72 S73 S114	A50-A52 PolarHBondContact O-N 2.86Å; A52-F72 HydrophobicContact CB-CE2 3.94Å; A52-F72 CarbonylContact O-C 3.57Å; A52-F72 WeakPolarHBondContact O-CD2 3.44Å; A52-S73 VanDerWaalsContact O-CB 3.32Å; A52-S73 WeakPolarHBondContact O-CB 3.29Å; A52-S73 PolarHBondContact O-N 2.84Å; A52-S114 PolarHBondContact N-O 2.88Å
53	Y	96.9	Very high	96.2	Very high	113 Å²	113	50.7 Å²	50.7	44%	0.443	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.6	-177.7	-61.3	-89.2	0	0	0	112	T51 Y55 F72 V113 S114	T51-Y53 WeakPolarHBondContact CG2-O 3.37Å; Y53-Y55 VanDerWaalsContact CB-OH 3.22Å; Y53-Y55 WeakPolarHBondContact CB-OH 3.22Å; Y53-F72 AromaticContact CD1-CD2 3.78Å; Y53-F72 HydrophobicContact CD1-CD2 3.78Å; Y53-F72 HydrophobicContact CD1-CE2 4.44Å; Y53-F72 AromaticContact CE1-CD2 3.5Å; Y53-F72 HydrophobicContact CE1-CD2 3.5Å; Y53-F72 AromaticContact CE1-CE2 3.94Å; Y53-F72 HydrophobicContact CE1-CE2 3.94Å; Y53-F72 HydrophobicContact CE2-CD2 4.33Å; Y53-F72 HydrophobicContact CE2-CE2 4.05Å; Y53-F72 HydrophobicContact CG-CD2 4.3Å; Y53-F72 AromaticContact CZ-CD2 3.8Å; Y53-F72 AromaticContact CZ-CE2 3.72Å; Y53-V113 WeakPolarHBondContact O-CA 3.5Å; Y53-S114 PolarHBondContact N-O 2.91Å; Y53-S114 PolarHBondContact O-N 3.43Å
54	F	97.9	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.9	-177	-61.2	-88.2	0	0	0	108.8	Y46 T51 S70 V71 L87 L94 V113	Y46-F54 AromaticContact CD1-CE1 3.97Å; Y46-F54 HydrophobicContact CD1-CE1 3.97Å; Y46-F54 HydrophobicContact CD2-CE1 4.44Å; Y46-F54 HydrophobicContact CE1-CD1 4.37Å; Y46-F54 AromaticContact CE1-CE1 3.49Å; Y46-F54 HydrophobicContact CE1-CE1 3.49Å; Y46-F54 VanDerWaalsContact CE1-CE1 3.49Å; Y46-F54 HydrophobicContact CE1-CZ 4.21Å; Y46-F54 HydrophobicContact CE2-CE1 4.02Å; Y46-F54 HydrophobicContact CE2-CZ 4.26Å; Y46-F54 HydrophobicContact CG-CE1 4.42Å; Y46-F54 AromaticContact CZ-CE1 3.52Å; Y46-F54 AromaticContact CZ-CZ 3.82Å; T51-F54 HydrophobicContact CG2-CD1 4.24Å; T51-F54 HydrophobicContact CG2-CE1 3.62Å; T51-F54 HydrophobicContact CG2-CE2 4.08Å; T51-F54 HydrophobicContact CG2-CZ 3.53Å; F54-S70 CarbonylContact O-C 3.57Å; F54-S70 VanDerWaalsContact O-CA 3.3Å; F54-S70 WeakPolarHBondContact O-CA 3.46Å; F54-V71 HydrophobicContact CB-CB 4.29Å; F54-V71 PolarHBondContact N-O 2.83Å; F54-V71 PolarHBondContact O-N 2.83Å; F54-L87 HydrophobicContact CD1-CD1 3.78Å; F54-L87 HydrophobicContact CD2-CD1 4Å; F54-L87 HydrophobicContact CD2-CD2 3.59Å; F54-L87 HydrophobicContact CD2-CG 4.42Å; F54-L87 HydrophobicContact CE1-CD1 3.58Å; F54-L87 HydrophobicContact CE2-CD1 3.8Å; F54-L87 HydrophobicContact CE2-CD2 3.45Å; F54-L87 VanDerWaalsContact CE2-CD2 3.45Å; F54-L87 HydrophobicContact CE2-CG 4.29Å; F54-L87 HydrophobicContact CG-CD1 4Å; F54-L87 HydrophobicContact CG-CD2 4.31Å; F54-L87 HydrophobicContact CZ-CD1 3.59Å; F54-L87 HydrophobicContact CZ-CD2 4.08Å; F54-L87 HydrophobicContact CZ-CG 4.49Å; F54-L94 HydrophobicContact CB-CD1 3.72Å; F54-L94 HydrophobicContact CB-CD2 3.87Å; F54-L94 HydrophobicContact CB-CG 4.38Å; F54-L94 HydrophobicContact CD1-CB 4.35Å; F54-L94 HydrophobicContact CD1-CD1 4.2Å; F54-L94 HydrophobicContact CD1-CD2 4.26Å; F54-L94 HydrophobicContact CG-CD1 4.12Å; F54-V113 HydrophobicContact CD1-CG1 3.53Å; F54-V113 HydrophobicContact CE1-CG1 3.72Å
55	Y	97.7	Very high	96.1	Very high	52 Å²	52	55.2 Å²	55.2	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.9	-173.7	-52.6	-84.9	0	0	0	110.9	Y53 Y57 L67 M69 C111 A112	Y53-Y55 VanDerWaalsContact CB-OH 3.22Å; Y53-Y55 WeakPolarHBondContact CB-OH 3.22Å; Y55-Y57 HydrophobicContact CG-CE2 4.27Å; Y55-L67 HydrophobicContact CD1-CD1 3.91Å; Y55-M69 WeakPolarHBondContact CA-O 3.4Å; Y55-C111 CarbonylContact O-C 3.59Å; Y55-C111 VanDerWaalsContact O-CA 3.27Å; Y55-C111 WeakPolarHBondContact O-CA 3.14Å; Y55-A112 HydrophobicContact CD2-CB 4.33Å; Y55-A112 PolarHBondContact N-O 3.46Å; Y55-A112 PolarHBondContact O-N 3.12Å
56	W	98.1	Very high	96.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.3	161	-78.3	101.8	0	0	0	109	I42 C44 L68 M69 V85 L94 L96 F110 C111	I42-W56 HydrophobicContact CB-CH2 4.01Å; I42-W56 HydrophobicContact CB-CZ3 4.43Å; I42-W56 HydrophobicContact CG2-CH2 3.66Å; I42-W56 HydrophobicContact CG2-CZ3 4.03Å; C44-W56 HydrophobicContact CB-CH2 3.89Å; C44-W56 HydrophobicContact CB-CZ2 3.8Å; W56-L68 HydrophobicContact CB-CB 4.4Å; W56-L68 HydrophobicContact CB-CD2 4.45Å; W56-L68 WeakPolarHBondContact O-CA 3.45Å; W56-L68 VanDerWaalsContact O-CB 3.29Å; W56-L68 WeakPolarHBondContact O-CB 3.43Å; W56-L68 PolarHBondContact O-N 3.43Å; W56-M69 PolarHBondContact N-O 2.86Å; W56-M69 PolarHBondContact O-N 3.03Å; W56-M69 VanDerWaalsContact O-N 3.11Å; W56-V85 HydrophobicContact CG-CG2 4.48Å; W56-L94 HydrophobicContact CZ2-CD2 4.44Å; W56-L94 HydrophobicContact CZ2-CG 4.5Å; W56-L96 HydrophobicContact CD2-CB 3.81Å; W56-L96 HydrophobicContact CD2-CD2 4.1Å; W56-L96 HydrophobicContact CD2-CG 4.42Å; W56-L96 HydrophobicContact CE3-CB 4.26Å; W56-L96 HydrophobicContact CE3-CD2 4.08Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD1 4.27Å; W56-L96 HydrophobicContact CG-CD2 4.34Å; W56-L96 HydrophobicContact CH2-CB 4.25Å; W56-L96 HydrophobicContact CZ2-CB 3.8Å; W56-L96 HydrophobicContact CZ3-CB 4.46Å; W56-F110 CarbonylContact C-O 3.5Å; W56-F110 WeakPolarHBondContact CA-O 3.49Å; W56-C111 HydrophobicContact CD2-CB 4.22Å; W56-C111 HydrophobicContact CE3-CB 4.01Å; W56-C111 HydrophobicContact CH2-CB 3.84Å; W56-C111 HydrophobicContact CZ2-CB 4.04Å; W56-C111 HydrophobicContact CZ3-CB 3.82Å
57	Y	98	Very high	96.2	Very high	60 Å²	60	63 Å²	63	24%	0.235	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.7	174.4	-62	-94	0	0	0	110	Y55 L65 Q66 L67 Y109 F110 A112	Y55-Y57 HydrophobicContact CG-CE2 4.27Å; Y57-L65 HydrophobicContact CD1-CD2 3.97Å; Y57-L65 HydrophobicContact CD1-CG 3.85Å; Y57-L65 HydrophobicContact CG-CD1 4.25Å; Y57-L65 HydrophobicContact CG-CD2 4.06Å; Y57-L65 HydrophobicContact CG-CG 4.02Å; Y57-Q66 CarbonylContact C-O 3.58Å; Y57-Q66 WeakPolarHBondContact CA-O 3.43Å; Y57-Q66 WeakPolarHBondContact CB-O 3.41Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.21Å; Y57-L67 HydrophobicContact CD1-CB 4.21Å; Y57-L67 HydrophobicContact CD1-CD1 4.29Å; Y57-L67 HydrophobicContact CE1-CB 4.02Å; Y57-L67 HydrophobicContact CE1-CD1 3.88Å; Y57-Y109 WeakPolarHBondContact O-CA 3.12Å; Y57-F110 PolarHBondContact N-O 2.92Å; Y57-F110 PolarHBondContact O-N 3.4Å; Y57-A112 HydrophobicContact CE2-CB 4.01Å
58	K	97.4	Very high	96.2	Very high	28 Å²	28	61.3 Å²	61.3	12%	0.122	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.2	172.1	-168	-179.9	-171.6	-162.1	0	108.6	E60 Q66 L68 G104 A107 Y109	K58-E60 WeakPolarHBondContact CE-OE1 3.35Å; K58-E60 IonicContact NZ-OE1 2.71Å; K58-E60 PolarHBondContact NZ-OE1 3.12Å; K58-Q66 PolarHBondContact N-O 3.39Å; K58-Q66 PolarHBondContact O-N 2.02Å; K58-L68 HydrophobicContact CB-CB 4.39Å; K58-L68 HydrophobicContact CB-CD1 4.37Å; K58-L68 HydrophobicContact CB-CD2 4.49Å; K58-G104 PolarHBondContact NZ-O 2.95Å; K58-A107 HydrophobicContact CD-CB 4.15Å; K58-A107 VanDerWaalsContact CE-CB 3.41Å; K58-A107 HydrophobicContact CG-CB 3.61Å; K58-Y109 HydrophobicContact CB-CD1 4.47Å; K58-Y109 HydrophobicContact CB-CE1 4.29Å; K58-Y109 HydrophobicContact CD-CE1 4.16Å; K58-Y109 VanDerWaalsContact CE-OH 3.29Å; K58-Y109 WeakPolarHBondContact CE-OH 3.15Å; K58-Y109 HydrophobicContact CG-CD1 4.42Å; K58-Y109 HydrophobicContact CG-CE1 3.96Å
59	Q	98.2	Very high	96.5	Very high	68 Å²	68	58.3 Å²	58.3	32%	0.318	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.1	173.1	-176.3	176	42.8	0	0	109.4	L65 A107 V108 F110	Q59-L65 HydrophobicContact CB-CD1 4.04Å; Q59-A107 WeakPolarHBondContact O-CB 3.41Å; Q59-V108 HydrophobicContact CB-CB 4.4Å; Q59-V108 PolarHBondContact N-O 3.38Å; Q59-V108 PolarHBondContact O-N 2.82Å; Q59-F110 HydrophobicContact CB-CE2 4.07Å
60	E	97.2	Very high	96.8	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.28	34%	0.341	S	S	.	.			trans	-70	151.9	171.5	-63.1	-68.8	166.8	0	0	110.9	K58 G62 A63	K58-E60 WeakPolarHBondContact CE-OE1 3.35Å; K58-E60 IonicContact NZ-OE1 2.71Å; K58-E60 PolarHBondContact NZ-OE1 3.12Å; E60-G62 PolarHBondContact O-N 2.96Å; E60-A63 HydrophobicContact CB-CB 3.77Å; E60-A63 PolarHBondContact O-N 2.98Å
61	P	96	Very high	97	Very high	115 Å²	115	53.2 Å²	53.2	75%	0.747	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	122.2	173.5	-25.8	34.8	0	0	0	112.3	A63	P61-A63 PolarHBondContact O-N 2.78Å
62	G	96.5	Very high	97.2	Very high	95 Å²	95	57.4 Å²	57.4	98%	0.979	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-2.6	-179.5	0	0	0	0	0	115.3	E60	E60-G62 PolarHBondContact O-N 2.96Å
63	A	95.9	Very high	97.2	Very high	36 Å²	36	57.2 Å²	57.2	30%	0.298	33%	0.327	S	S	.	.	S	Bend	trans	-96	164.3	175.3	0	0	0	0	0	112.3	E60 P61	E60-A63 HydrophobicContact CB-CB 3.77Å; E60-A63 PolarHBondContact O-N 2.98Å; P61-A63 PolarHBondContact O-N 2.78Å
64	G	96.9	Very high	97.2	Very high	50 Å²	50	57.4 Å²	57.4	52%	0.515	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-71.8	165.9	168.5	0	0	0	0	0	112.5	Q66	G64-Q66 PolarHBondContact O-N 2.86Å
65	L	97.8	Very high	97.2	Very high	94 Å²	94	59.8 Å²	59.8	49%	0.492	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67.7	124.3	172.2	-169.4	70.1	0	0	0	109.8	Y57 Q59 F110	Y57-L65 HydrophobicContact CD1-CD2 3.97Å; Y57-L65 HydrophobicContact CD1-CG 3.85Å; Y57-L65 HydrophobicContact CG-CD1 4.25Å; Y57-L65 HydrophobicContact CG-CD2 4.06Å; Y57-L65 HydrophobicContact CG-CG 4.02Å; Q59-L65 HydrophobicContact CB-CD1 4.04Å; L65-F110 HydrophobicContact CD1-CD2 3.48Å; L65-F110 VanDerWaalsContact CD1-CD2 3.48Å; L65-F110 HydrophobicContact CD1-CE2 3.93Å; L65-F110 HydrophobicContact CD1-CG 4.33Å
66	Q	97.9	Very high	97.2	Very high	114 Å²	114	62.5 Å²	62.5	53%	0.533	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.4	-178.9	-64.8	179.3	3	0	0	110.5	Y57 K58 G64 L68	Y57-Q66 CarbonylContact C-O 3.58Å; Y57-Q66 WeakPolarHBondContact CA-O 3.43Å; Y57-Q66 WeakPolarHBondContact CB-O 3.41Å; Y57-Q66 WeakPolarHBondContact CD1-O 3.21Å; K58-Q66 PolarHBondContact N-O 3.39Å; K58-Q66 PolarHBondContact O-N 2.02Å; G64-Q66 PolarHBondContact O-N 2.86Å; Q66-L68 PolarHBondContact O-N 3.11Å
67	L	97.3	Very high	97.2	Very high	99 Å²	99	69.6 Å²	69.6	52%	0.518	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.3	172.7	178.3	65.6	0	0	0	108.7	Y55 Y57	Y55-L67 HydrophobicContact CD1-CD1 3.91Å; Y57-L67 HydrophobicContact CD1-CB 4.21Å; Y57-L67 HydrophobicContact CD1-CD1 4.29Å; Y57-L67 HydrophobicContact CE1-CB 4.02Å; Y57-L67 HydrophobicContact CE1-CD1 3.88Å
68	L	96.8	Very high	97.2	Very high	41 Å²	41	69.9 Å²	69.9	22%	0.215	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-49.7	178.5	-175.4	66.9	0	0	0	110.8	W56 K58 Q66 L83 L96 Y109	W56-L68 HydrophobicContact CB-CB 4.4Å; W56-L68 HydrophobicContact CB-CD2 4.45Å; W56-L68 WeakPolarHBondContact O-CA 3.45Å; W56-L68 VanDerWaalsContact O-CB 3.29Å; W56-L68 WeakPolarHBondContact O-CB 3.43Å; W56-L68 PolarHBondContact O-N 3.43Å; K58-L68 HydrophobicContact CB-CB 4.39Å; K58-L68 HydrophobicContact CB-CD1 4.37Å; K58-L68 HydrophobicContact CB-CD2 4.49Å; Q66-L68 PolarHBondContact O-N 3.11Å; L68-L83 HydrophobicContact CD1-CD1 3.63Å; L68-L83 HydrophobicContact CD2-CD1 3.89Å; L68-L83 HydrophobicContact CD2-CD2 4.47Å; L68-L83 HydrophobicContact CG-CD1 3.87Å; L68-L96 HydrophobicContact CD2-CD1 4.3Å; L68-L96 HydrophobicContact CD2-CD2 3.9Å; L68-Y109 HydrophobicContact CD2-CD1 4.02Å; L68-Y109 HydrophobicContact CD2-CE1 3.72Å
69	M	96.9	Very high	97.2	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.03	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.8	-180	-165.3	170.9	-60.8	0	0	111	Y55 W56 V71 K78 E80 L83 V85	Y55-M69 WeakPolarHBondContact CA-O 3.4Å; W56-M69 PolarHBondContact N-O 2.86Å; W56-M69 PolarHBondContact O-N 3.03Å; W56-M69 VanDerWaalsContact O-N 3.11Å; M69-V71 HydrophobicContact CG-CG2 4.43Å; M69-V71 HydrophobicContact SD-CG2 4.5Å; M69-K78 HydrophobicContact CG-CD 3.79Å; M69-K78 HydrophobicContact CG-CG 4.43Å; M69-K78 HydrophobicContact SD-CB 3.9Å; M69-K78 HydrophobicContact SD-CD 3.66Å; M69-K78 HydrophobicContact SD-CG 3.62Å; M69-E80 HydrophobicContact CE-CB 3.56Å; M69-L83 HydrophobicContact CE-CB 4.17Å; M69-V85 HydrophobicContact CB-CG2 4.19Å; M69-V85 HydrophobicContact CE-CG2 4.31Å; M69-V85 HydrophobicContact CG-CG2 4.15Å; M69-V85 HydrophobicContact SD-CB 3.74Å; M69-V85 HydrophobicContact SD-CG2 3.34Å; M69-V85 WeakPolarHBondContact SD-CG2 3.22Å
70	S	97	Very high	97	Very high	50 Å²	50	74.7 Å²	74.7	35%	0.35	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.1	166.9	61.9	0	0	0	0	111	F54 K78	F54-S70 CarbonylContact O-C 3.57Å; F54-S70 VanDerWaalsContact O-CA 3.3Å; F54-S70 WeakPolarHBondContact O-CA 3.46Å; S70-K78 WeakPolarHBondContact O-CD 3.3Å; S70-K78 PolarHBondContact O-NZ 3.29Å
71	V	97.7	Very high	96.6	Very high	6 Å²	6	80 Å²	80	4%	0.036	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	179.9	-178.8	0	0	0	0	108.7	F54 M69 V75 K78 V85 L87	F54-V71 HydrophobicContact CB-CB 4.29Å; F54-V71 PolarHBondContact N-O 2.83Å; F54-V71 PolarHBondContact O-N 2.83Å; M69-V71 HydrophobicContact CG-CG2 4.43Å; M69-V71 HydrophobicContact SD-CG2 4.5Å; V71-V75 HydrophobicContact CG1-CB 3.78Å; V71-V75 HydrophobicContact CG1-CG1 3.94Å; V71-V75 WeakPolarHBondContact CG1-O 3.09Å; V71-K78 HydrophobicContact CG2-CB 3.95Å; V71-K78 HydrophobicContact CG2-CD 4.1Å; V71-V85 HydrophobicContact CG2-CB 4Å; V71-V85 HydrophobicContact CG2-CG1 3.63Å; V71-L87 HydrophobicContact CG1-CD2 4.47Å
72	F	97.7	Very high	96.4	Very high	90 Å²	90	76.2 Å²	76.2	40%	0.395	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	152.5	173	-170.1	-124.1	0	0	0	110.1	A52 Y53 N74 V75	A52-F72 HydrophobicContact CB-CE2 3.94Å; A52-F72 CarbonylContact O-C 3.57Å; A52-F72 WeakPolarHBondContact O-CD2 3.44Å; Y53-F72 AromaticContact CD1-CD2 3.78Å; Y53-F72 HydrophobicContact CD1-CD2 3.78Å; Y53-F72 HydrophobicContact CD1-CE2 4.44Å; Y53-F72 AromaticContact CE1-CD2 3.5Å; Y53-F72 HydrophobicContact CE1-CD2 3.5Å; Y53-F72 AromaticContact CE1-CE2 3.94Å; Y53-F72 HydrophobicContact CE1-CE2 3.94Å; Y53-F72 HydrophobicContact CE2-CD2 4.33Å; Y53-F72 HydrophobicContact CE2-CE2 4.05Å; Y53-F72 HydrophobicContact CG-CD2 4.3Å; Y53-F72 AromaticContact CZ-CD2 3.8Å; Y53-F72 AromaticContact CZ-CE2 3.72Å; F72-N74 HydrophobicContact CD1-CB 4.46Å; F72-N74 WeakPolarHBondContact CD1-OD1 3.36Å; F72-N74 PolarHBondContact O-N 2.84Å; F72-V75 WeakPolarHBondContact O-CB 3.23Å; F72-V75 PolarHBondContact O-N 3.11Å
73	S	96.4	Very high	96.3	Very high	21 Å²	21	72.5 Å²	72.5	15%	0.147	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.1	-169.5	75.9	0	0	0	0	116.7	A52 K89	A52-S73 VanDerWaalsContact O-CB 3.32Å; A52-S73 WeakPolarHBondContact O-CB 3.29Å; A52-S73 PolarHBondContact O-N 2.84Å; S73-K89 WeakPolarHBondContact O-CD 3.33Å; S73-K89 PolarHBondContact OG-NZ 3.28Å
74	N	96.4	Very high	96.4	Very high	117 Å²	117	71.2 Å²	71.2	63%	0.626	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	1.6	171.9	70.4	-19.1	0	0	0	113.1	F72	F72-N74 HydrophobicContact CD1-CB 4.46Å; F72-N74 WeakPolarHBondContact CD1-OD1 3.36Å; F72-N74 PolarHBondContact O-N 2.84Å
75	V	97.9	Very high	96.5	Very high	52 Å²	52	68.9 Å²	68.9	32%	0.315	35%	0.349	S	S	.	.			trans	-108	107	178.3	176.8	0	0	0	0	108.5	V71 F72 R77 K78	V71-V75 HydrophobicContact CG1-CB 3.78Å; V71-V75 HydrophobicContact CG1-CG1 3.94Å; V71-V75 WeakPolarHBondContact CG1-O 3.09Å; F72-V75 WeakPolarHBondContact O-CB 3.23Å; F72-V75 PolarHBondContact O-N 3.11Å; V75-R77 VanDerWaalsContact CG1-O 3.3Å; V75-R77 WeakPolarHBondContact CG1-O 3.33Å; V75-K78 HydrophobicContact CG1-CB 4.3Å
76	D	97.9	Very high	96.5	Very high	108 Å²	108	67.6 Å²	67.6	58%	0.578	34%	0.343	S	S	*	.	S	Bend	trans	-78.9	-23.1	-179.7	-62.4	-29.9	0	0	0	112.7	L86 L87	D76-L86 CarbonylContact O-C 3.56Å; D76-L86 WeakPolarHBondContact O-CA 3.3Å; D76-L87 PolarHBondContact O-N 2.8Å
77	R	98.2	Very high	96.5	Very high	152 Å²	152	62.6 Å²	62.6	57%	0.574	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.4	-178.4	178.8	170.7	-176.1	-108.2	-5.2	111	V75 E79 T84 V85 L86	V75-R77 VanDerWaalsContact CG1-O 3.3Å; V75-R77 WeakPolarHBondContact CG1-O 3.33Å; R77-E79 IonicContact CZ-OE2 3.48Å; R77-E79 IonicContact NH1-OE2 3.89Å; R77-E79 IonicContact NH2-OE2 2.65Å; R77-E79 PolarHBondContact NH2-OE2 2.85Å; R77-T84 HydrophobicContact CG-CG2 4.21Å; R77-V85 WeakPolarHBondContact CA-O 3.48Å; R77-L86 HydrophobicContact CB-CD2 3.87Å; R77-L86 HydrophobicContact CG-CD2 3.66Å
78	K	97.9	Very high	96.5	Very high	65 Å²	65	61 Å²	61	28%	0.283	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.6	170.1	-176.4	174.5	169.1	179.5	0	109.4	M69 S70 V71 V75 E80 T84 V85	M69-K78 HydrophobicContact CG-CD 3.79Å; M69-K78 HydrophobicContact CG-CG 4.43Å; M69-K78 HydrophobicContact SD-CB 3.9Å; M69-K78 HydrophobicContact SD-CD 3.66Å; M69-K78 HydrophobicContact SD-CG 3.62Å; S70-K78 WeakPolarHBondContact O-CD 3.3Å; S70-K78 PolarHBondContact O-NZ 3.29Å; V71-K78 HydrophobicContact CG2-CB 3.95Å; V71-K78 HydrophobicContact CG2-CD 4.1Å; V75-K78 HydrophobicContact CG1-CB 4.3Å; K78-E80 IonicContact NZ-OE2 3.2Å; K78-T84 CarbonylContact O-C 3.6Å; K78-T84 WeakPolarHBondContact O-CA 3.33Å; K78-V85 PolarHBondContact N-O 2.96Å; K78-V85 PolarHBondContact O-N 2.85Å
79	E	97.2	Very high	96.5	Very high	111 Å²	111	63.2 Å²	63.2	52%	0.519	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.9	-179.9	-174.1	177.8	162	0	0	109.5	R77 L83	R77-E79 IonicContact CZ-OE2 3.48Å; R77-E79 IonicContact NH1-OE2 3.89Å; R77-E79 IonicContact NH2-OE2 2.65Å; R77-E79 PolarHBondContact NH2-OE2 2.85Å; E79-L83 CarbonylContact C-O 3.55Å; E79-L83 VanDerWaalsContact CA-O 3.29Å; E79-L83 WeakPolarHBondContact CA-O 3.29Å
80	E	94.2	Very high	96.4	Very high	86 Å²	86	72 Å²	72	40%	0.402	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	131.8	-178.6	-168.7	171.3	170.2	0	0	109.3	M69 K78 G82 L83	M69-E80 HydrophobicContact CE-CB 3.56Å; K78-E80 IonicContact NZ-OE2 3.2Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.81Å; E80-G82 VanDerWaalsContact O-N 3.12Å; E80-L83 PolarHBondContact N-O 3.22Å; E80-L83 WeakPolarHBondContact O-CA 3.42Å; E80-L83 WeakPolarHBondContact O-CB 3.34Å; E80-L83 PolarHBondContact O-N 2.88Å
81	Q	89	Confident	96.4	Very high	172 Å²	172	73.6 Å²	73.6	80%	0.804	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.2	172.8	-62.3	175.9	-2.1	0	0	114.9	L83	Q81-L83 PolarHBondContact O-N 2.91Å
82	G	90.9	Very high	96.3	Very high	36 Å²	36	76.2 Å²	76.2	37%	0.371	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	0.5	-179	0	0	0	0	0	114.8	E80 T99	E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.81Å; E80-G82 VanDerWaalsContact O-N 3.12Å; G82-T99 PolarHBondContact O-OG1 2.73Å
83	L	95.7	Very high	96.3	Very high	17 Å²	17	78.2 Å²	78.2	9%	0.089	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.1	172.5	-63.4	157.1	0	0	0	109.5	L68 M69 E79 E80 Q81 L96 N97 L98	L68-L83 HydrophobicContact CD1-CD1 3.63Å; L68-L83 HydrophobicContact CD2-CD1 3.89Å; L68-L83 HydrophobicContact CD2-CD2 4.47Å; L68-L83 HydrophobicContact CG-CD1 3.87Å; M69-L83 HydrophobicContact CE-CB 4.17Å; E79-L83 CarbonylContact C-O 3.55Å; E79-L83 VanDerWaalsContact CA-O 3.29Å; E79-L83 WeakPolarHBondContact CA-O 3.29Å; E80-L83 PolarHBondContact N-O 3.22Å; E80-L83 WeakPolarHBondContact O-CA 3.42Å; E80-L83 WeakPolarHBondContact O-CB 3.34Å; E80-L83 PolarHBondContact O-N 2.88Å; Q81-L83 PolarHBondContact O-N 2.91Å; L83-L96 HydrophobicContact CB-CD1 4.34Å; L83-L96 HydrophobicContact CD2-CD1 4.06Å; L83-L96 HydrophobicContact CD2-CG 4.39Å; L83-N97 WeakPolarHBondContact CA-O 3.37Å; L83-L98 HydrophobicContact CD2-CD1 3.89Å; L83-L98 HydrophobicContact CD2-CD2 4.34Å; L83-L98 HydrophobicContact CD2-CG 3.59Å
84	T	97.9	Very high	96.4	Very high	8 Å²	8	77.2 Å²	77.2	5%	0.049	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.4	170.9	-59.4	0	0	0	0	109.6	R77 K78 L86 N97	R77-T84 HydrophobicContact CG-CG2 4.21Å; K78-T84 CarbonylContact O-C 3.6Å; K78-T84 WeakPolarHBondContact O-CA 3.33Å; T84-L86 HydrophobicContact CG2-CD2 3.88Å; T84-L86 HydrophobicContact CG2-CG 4.17Å; T84-N97 PolarHBondContact N-O 3.03Å; T84-N97 PolarHBondContact O-N 2.91Å
85	V	98.2	Very high	96.5	Very high	1 Å²	1	72 Å²	72	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.3	167.3	176.1	0	0	0	0	109.4	W56 M69 V71 R77 K78 L94 S95 L96	W56-V85 HydrophobicContact CG-CG2 4.48Å; M69-V85 HydrophobicContact CB-CG2 4.19Å; M69-V85 HydrophobicContact CE-CG2 4.31Å; M69-V85 HydrophobicContact CG-CG2 4.15Å; M69-V85 HydrophobicContact SD-CB 3.74Å; M69-V85 HydrophobicContact SD-CG2 3.34Å; M69-V85 WeakPolarHBondContact SD-CG2 3.22Å; V71-V85 HydrophobicContact CG2-CB 4Å; V71-V85 HydrophobicContact CG2-CG1 3.63Å; R77-V85 WeakPolarHBondContact CA-O 3.48Å; K78-V85 PolarHBondContact N-O 2.96Å; K78-V85 PolarHBondContact O-N 2.85Å; V85-L94 HydrophobicContact CG1-CD1 3.43Å; V85-L94 VanDerWaalsContact CG1-CD1 3.43Å; V85-L94 HydrophobicContact CG1-CG 4.27Å; V85-S95 CarbonylContact C-O 3.53Å; V85-S95 VanDerWaalsContact CA-O 3.24Å; V85-S95 WeakPolarHBondContact CA-O 3.14Å; V85-L96 HydrophobicContact CG2-CD1 3.69Å
86	L	98.2	Very high	96.5	Very high	68 Å²	68	69.6 Å²	69.6	36%	0.356	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.8	172.5	-54.7	172.4	0	0	0	109.5	D76 R77 T84 L94 S95	D76-L86 CarbonylContact O-C 3.56Å; D76-L86 WeakPolarHBondContact O-CA 3.3Å; R77-L86 HydrophobicContact CB-CD2 3.87Å; R77-L86 HydrophobicContact CG-CD2 3.66Å; T84-L86 HydrophobicContact CG2-CD2 3.88Å; T84-L86 HydrophobicContact CG2-CG 4.17Å; L86-L94 CarbonylContact O-C 3.59Å; L86-L94 WeakPolarHBondContact O-CA 3.29Å; L86-S95 WeakPolarHBondContact CB-OG 3.47Å; L86-S95 PolarHBondContact N-O 2.86Å; L86-S95 PolarHBondContact O-N 2.87Å
87	L	98.3	Very high	96.5	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124	174.8	174.5	63.4	0	0	0	109.1	Y46 F54 V71 D76 K89 L94	Y46-L87 HydrophobicContact CE1-CD1 4.32Å; F54-L87 HydrophobicContact CD1-CD1 3.78Å; F54-L87 HydrophobicContact CD2-CD1 4Å; F54-L87 HydrophobicContact CD2-CD2 3.59Å; F54-L87 HydrophobicContact CD2-CG 4.42Å; F54-L87 HydrophobicContact CE1-CD1 3.58Å; F54-L87 HydrophobicContact CE2-CD1 3.8Å; F54-L87 HydrophobicContact CE2-CD2 3.45Å; F54-L87 VanDerWaalsContact CE2-CD2 3.45Å; F54-L87 HydrophobicContact CE2-CG 4.29Å; F54-L87 HydrophobicContact CG-CD1 4Å; F54-L87 HydrophobicContact CG-CD2 4.31Å; F54-L87 HydrophobicContact CZ-CD1 3.59Å; F54-L87 HydrophobicContact CZ-CD2 4.08Å; F54-L87 HydrophobicContact CZ-CG 4.49Å; V71-L87 HydrophobicContact CG1-CD2 4.47Å; D76-L87 PolarHBondContact O-N 2.8Å; L87-K89 HydrophobicContact CD1-CG 4.19Å; L87-K89 HydrophobicContact CD2-CD 4.35Å; L87-K89 HydrophobicContact CD2-CG 4.02Å; L87-K89 HydrophobicContact CG-CG 4Å; L87-L94 HydrophobicContact CB-CD1 4.3Å; L87-L94 HydrophobicContact CD1-CD1 4.27Å
88	N	97.3	Very high	96.4	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.353	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	99.5	169.7	179.1	-23.9	0	0	0	108.5	K90 D91 K92 R93	N88-K90 VanDerWaalsContact C-N 3.32Å; N88-K90 PolarHBondContact O-N 2.86Å; N88-K90 WeakPolarHBondContact OD1-CB 3.37Å; N88-K90 PolarHBondContact OD1-N 2.8Å; N88-K90 VanDerWaalsContact OD1-N 3.12Å; N88-D91 PolarHBondContact ND2-OD2 3.07Å; N88-D91 PolarHBondContact O-N 3.48Å; N88-D91 PolarHBondContact OD1-N 3.13Å; N88-K92 WeakPolarHBondContact O-CA 3.2Å; N88-K92 PolarHBondContact O-N 2.88Å; N88-R93 HydrophobicContact CB-CB 4.49Å; N88-R93 PolarHBondContact N-O 2.81Å; N88-R93 PolarHBondContact O-N 3.12Å
89	K	95	Very high	96.2	Very high	87 Å²	87	60.1 Å²	60.1	38%	0.378	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.8	-178.2	-67.7	-175.8	65.7	175.9	0	113.8	Y46 S73 L87 K92	Y46-K89 WeakPolarHBondContact OH-CA 3.29Å; S73-K89 WeakPolarHBondContact O-CD 3.33Å; S73-K89 PolarHBondContact OG-NZ 3.28Å; L87-K89 HydrophobicContact CD1-CG 4.19Å; L87-K89 HydrophobicContact CD2-CD 4.35Å; L87-K89 HydrophobicContact CD2-CG 4.02Å; L87-K89 HydrophobicContact CG-CG 4Å; K89-K92 PolarHBondContact O-N 2.91Å
90	K	95.2	Very high	96.2	Very high	190 Å²	190	56.5 Å²	56.5	83%	0.826	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-43.9	179.7	-176.8	-177.8	175.5	-175.1	0	110.7	N88 K92	N88-K90 VanDerWaalsContact C-N 3.32Å; N88-K90 PolarHBondContact O-N 2.86Å; N88-K90 WeakPolarHBondContact OD1-CB 3.37Å; N88-K90 PolarHBondContact OD1-N 2.8Å; N88-K90 VanDerWaalsContact OD1-N 3.12Å; K90-K92 VanDerWaalsContact C-N 3.32Å
91	D	96.7	Very high	96.3	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.8	-179.5	-59.9	-24.4	0	0	0	112.7	N88 R93	N88-D91 PolarHBondContact ND2-OD2 3.07Å; N88-D91 PolarHBondContact O-N 3.48Å; N88-D91 PolarHBondContact OD1-N 3.13Å; D91-R93 VanDerWaalsContact C-N 3.31Å; D91-R93 HydrophobicContact CB-CG 4.27Å; D91-R93 WeakPolarHBondContact O-CG 3.48Å; D91-R93 PolarHBondContact O-N 2.85Å
92	K	96.9	Very high	96.6	Very high	62 Å²	62	49.6 Å²	49.6	27%	0.27	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	51	-174.4	-55.5	-175.9	179.4	-174.9	0	112.6	T45 Y46 T47 S49 N88 K89 K90	T45-K92 VanDerWaalsContact CA-O 3.29Å; T45-K92 WeakPolarHBondContact CA-O 2.97Å; Y46-K92 VanDerWaalsContact CD1-C 3.45Å; Y46-K92 HydrophobicContact CD1-CB 4.07Å; Y46-K92 VanDerWaalsContact CD1-O 3.24Å; Y46-K92 WeakPolarHBondContact CD1-O 3.47Å; Y46-K92 HydrophobicContact CD2-CB 4.17Å; Y46-K92 HydrophobicContact CE1-CB 3.87Å; Y46-K92 WeakPolarHBondContact CE1-O 3.24Å; Y46-K92 HydrophobicContact CE2-CB 3.96Å; Y46-K92 HydrophobicContact CE2-CG 4.09Å; Y46-K92 HydrophobicContact CG-CB 4.21Å; Y46-K92 PolarHBondContact N-O 3.36Å; Y46-K92 VanDerWaalsContact N-O 3.11Å; Y46-K92 WeakPolarHBondContact O-CB 3.27Å; Y46-K92 WeakPolarHBondContact O-CD 3.41Å; T47-K92 PolarHBondContact O-NZ 3.35Å; S49-K92 WeakPolarHBondContact OG-CE 3.49Å; S49-K92 PolarHBondContact OG-NZ 2.88Å; N88-K92 WeakPolarHBondContact O-CA 3.2Å; N88-K92 PolarHBondContact O-N 2.88Å; K89-K92 PolarHBondContact O-N 2.91Å; K90-K92 VanDerWaalsContact C-N 3.32Å
93	R	97.8	Very high	96.8	Very high	131 Å²	131	52 Å²	52	49%	0.494	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.4	-176.5	-78.1	170.8	-177.2	-168.1	-0.9	110.8	I43 C44 T45 N88 D91	I43-R93 HydrophobicContact CG2-CG 4.37Å; C44-R93 WeakPolarHBondContact O-CA 3.33Å; T45-R93 HydrophobicContact CG2-CG 3.8Å; N88-R93 HydrophobicContact CB-CB 4.49Å; N88-R93 PolarHBondContact N-O 2.81Å; N88-R93 PolarHBondContact O-N 3.12Å; D91-R93 VanDerWaalsContact C-N 3.31Å; D91-R93 HydrophobicContact CB-CG 4.27Å; D91-R93 WeakPolarHBondContact O-CG 3.48Å; D91-R93 PolarHBondContact O-N 2.85Å
94	L	98	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.8	167.7	178.7	76	0	0	0	106.9	C44 F54 W56 V85 L86 L87 C111	C44-L94 WeakPolarHBondContact CA-O 3.32Å; C44-L94 HydrophobicContact CB-CB 4.29Å; C44-L94 WeakPolarHBondContact CB-O 3.08Å; C44-L94 PolarHBondContact N-O 3.24Å; C44-L94 PolarHBondContact O-N 2.71Å; C44-L94 VanDerWaalsContact O-O 3.08Å; F54-L94 HydrophobicContact CB-CD1 3.72Å; F54-L94 HydrophobicContact CB-CD2 3.87Å; F54-L94 HydrophobicContact CB-CG 4.38Å; F54-L94 HydrophobicContact CD1-CB 4.35Å; F54-L94 HydrophobicContact CD1-CD1 4.2Å; F54-L94 HydrophobicContact CD1-CD2 4.26Å; F54-L94 HydrophobicContact CG-CD1 4.12Å; W56-L94 HydrophobicContact CZ2-CD2 4.44Å; W56-L94 HydrophobicContact CZ2-CG 4.5Å; V85-L94 HydrophobicContact CG1-CD1 3.43Å; V85-L94 VanDerWaalsContact CG1-CD1 3.43Å; V85-L94 HydrophobicContact CG1-CG 4.27Å; L86-L94 CarbonylContact O-C 3.59Å; L86-L94 WeakPolarHBondContact O-CA 3.29Å; L87-L94 HydrophobicContact CB-CD1 4.3Å; L87-L94 HydrophobicContact CD1-CD1 4.27Å; L94-C111 HydrophobicContact CD2-CB 4.4Å
95	S	98.2	Very high	96.6	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.5	178.6	64.5	0	0	0	0	112.6	F41 I42 V85 L86	F41-S95 VanDerWaalsContact CE2-OG 3.29Å; F41-S95 WeakPolarHBondContact CE2-OG 3.38Å; F41-S95 WeakPolarHBondContact CZ-OG 3.35Å; I42-S95 CarbonylContact O-C 3.57Å; I42-S95 VanDerWaalsContact O-CA 3.22Å; I42-S95 WeakPolarHBondContact O-CA 3.23Å; V85-S95 CarbonylContact C-O 3.53Å; V85-S95 VanDerWaalsContact CA-O 3.24Å; V85-S95 WeakPolarHBondContact CA-O 3.14Å; L86-S95 WeakPolarHBondContact CB-OG 3.47Å; L86-S95 PolarHBondContact N-O 2.86Å; L86-S95 PolarHBondContact O-N 2.87Å
96	L	98.4	Very high	96.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.4	169.6	-175	67.2	0	0	0	109.1	F41 I42 W56 L68 L83 V85 L98 Y109	F41-L96 WeakPolarHBondContact CA-O 3.4Å; I42-L96 PolarHBondContact N-O 2.92Å; I42-L96 PolarHBondContact O-N 2.89Å; W56-L96 HydrophobicContact CD2-CB 3.81Å; W56-L96 HydrophobicContact CD2-CD2 4.1Å; W56-L96 HydrophobicContact CD2-CG 4.42Å; W56-L96 HydrophobicContact CE3-CB 4.26Å; W56-L96 HydrophobicContact CE3-CD2 4.08Å; W56-L96 HydrophobicContact CG-CB 4.25Å; W56-L96 HydrophobicContact CG-CD1 4.27Å; W56-L96 HydrophobicContact CG-CD2 4.34Å; W56-L96 HydrophobicContact CH2-CB 4.25Å; W56-L96 HydrophobicContact CZ2-CB 3.8Å; W56-L96 HydrophobicContact CZ3-CB 4.46Å; L68-L96 HydrophobicContact CD2-CD1 4.3Å; L68-L96 HydrophobicContact CD2-CD2 3.9Å; L83-L96 HydrophobicContact CB-CD1 4.34Å; L83-L96 HydrophobicContact CD2-CD1 4.06Å; L83-L96 HydrophobicContact CD2-CG 4.39Å; V85-L96 HydrophobicContact CG2-CD1 3.69Å; L96-L98 HydrophobicContact CD2-CD1 4.35Å; L96-L98 HydrophobicContact CG-CD1 4.2Å; L96-Y109 HydrophobicContact CD2-CD1 3.47Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.47Å; L96-Y109 HydrophobicContact CD2-CE1 3.76Å; L96-Y109 HydrophobicContact CD2-CG 4.34Å
97	N	97.8	Very high	96.4	Very high	43 Å²	43	57.3 Å²	57.3	23%	0.23	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.6	178.1	-174.1	27.2	0	0	0	110.3	A40 F41 L83 T84	A40-N97 WeakPolarHBondContact O-CA 3.5Å; A40-N97 PolarHBondContact O-OD1 2.73Å; F41-N97 HydrophobicContact CD2-CB 4.02Å; L83-N97 WeakPolarHBondContact CA-O 3.37Å; T84-N97 PolarHBondContact N-O 3.03Å; T84-N97 PolarHBondContact O-N 2.91Å
98	L	96.8	Very high	96.4	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.2	169.8	-65.7	72.6	0	0	0	106.9	S39 A40 L83 L96 D105	S39-L98 CarbonylContact C-O 3.59Å; S39-L98 WeakPolarHBondContact CA-O 3.45Å; S39-L98 WeakPolarHBondContact CB-O 3.24Å; A40-L98 HydrophobicContact CB-CB 4.13Å; A40-L98 HydrophobicContact CB-CD1 4.35Å; A40-L98 PolarHBondContact N-O 2.95Å; A40-L98 PolarHBondContact O-N 3.35Å; L83-L98 HydrophobicContact CD2-CD1 3.89Å; L83-L98 HydrophobicContact CD2-CD2 4.34Å; L83-L98 HydrophobicContact CD2-CG 3.59Å; L96-L98 HydrophobicContact CD2-CD1 4.35Å; L96-L98 HydrophobicContact CG-CD1 4.2Å; L98-D105 HydrophobicContact CD2-CB 3.66Å
99	T	93.6	Very high	96.4	Very high	73 Å²	73	58.5 Å²	58.5	45%	0.448	32%	0.321	S	S	.	.	S	Bend	trans	-72.9	-40.2	-175	50.7	0	0	0	0	112.7	S39 G82	S39-T99 PolarHBondContact OG-O 3.08Å; G82-T99 PolarHBondContact O-OG1 2.73Å
100	A	95.3	Very high	96.6	Very high	35 Å²	35	58.2 Å²	58.2	29%	0.289	32%	0.32	S	S	.	.	S	Bend	trans	-136.8	113.5	174.2	0	0	0	0	0	108.4	H102	A100-H102 PolarHBondContact O-CE1 2.84Å; A100-H102 PolarHBondContact O-ND1 2.96Å
101	A	96.2	Very high	96.7	Very high	7 Å²	7	49.6 Å²	49.6	6%	0.058	28%	0.283	C	S	.	.			trans	-71.9	133.9	179	0	0	0	0	0	110.9	V34 E36 G37 D38	V34-A101 HydrophobicContact CG2-CB 3.59Å; E36-A101 CarbonylContact C-O 3.51Å; E36-A101 WeakPolarHBondContact CA-O 3.4Å; G37-A101 PolarHBondContact N-O 3.24Å; D38-A101 WeakPolarHBondContact O-CB 3.38Å; D38-A101 PolarHBondContact O-N 2.82Å
102	H	95.7	Very high	96.7	Very high	106 Å²	106	47.1 Å²	47.1	49%	0.491	28%	0.275	S	S	.	.			trans	-115.6	157.6	172.6	-57	83.6	0	0	0	109.9	A100 G104 D105	A100-H102 PolarHBondContact O-CE1 2.84Å; A100-H102 PolarHBondContact O-ND1 2.96Å; H102-G104 PolarHBondContact O-N 2.79Å; H102-G104 VanDerWaalsContact O-N 3.08Å; H102-D105 PolarHBondContact N-OD2 2.94Å; H102-D105 IonicContact ND1-OD2 3.82Å; H102-D105 WeakPolarHBondContact O-CB 3.39Å; H102-D105 PolarHBondContact O-N 2.79Å
103	P	94.9	Very high	96.7	Very high	86 Å²	86	45.1 Å²	45.1	56%	0.558	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-52.8	-33.3	174.9	-29.4	36.5	0	0	0	113.7	D105 S106	P103-D105 PolarHBondContact O-N 2.84Å; P103-S106 VanDerWaalsContact O-CB 3.28Å; P103-S106 WeakPolarHBondContact O-CB 3.38Å; P103-S106 PolarHBondContact O-N 2.82Å; P103-S106 PolarHBondContact O-OG 2.65Å
104	G	94	Very high	96.4	Very high	51 Å²	51	42.7 Å²	42.7	53%	0.526	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-70.6	-6.7	175.7	0	0	0	0	0	115.5	K58 H102 S106	K58-G104 PolarHBondContact NZ-O 2.95Å; H102-G104 PolarHBondContact O-N 2.79Å; H102-G104 VanDerWaalsContact O-N 3.08Å; G104-S106 VanDerWaalsContact C-N 3.29Å
105	D	95.5	Very high	96.3	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.23	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-85.4	-5.2	172	-61.9	-41.7	0	0	0	112.4	L98 H102 P103 A107 Y109	L98-D105 HydrophobicContact CD2-CB 3.66Å; H102-D105 PolarHBondContact N-OD2 2.94Å; H102-D105 IonicContact ND1-OD2 3.82Å; H102-D105 WeakPolarHBondContact O-CB 3.39Å; H102-D105 PolarHBondContact O-N 2.79Å; P103-D105 PolarHBondContact O-N 2.84Å; D105-A107 PolarHBondContact O-N 3.34Å; D105-Y109 WeakPolarHBondContact O-CE2 3.32Å; D105-Y109 PolarHBondContact O-OH 3.03Å
106	S	96.5	Very high	96.2	Very high	84 Å²	84	46.7 Å²	46.7	59%	0.587	30%	0.295	S	S	*	.			trans	-69.8	95.6	-178.8	-56.2	0	0	0	0	111.7	P103 G104	P103-S106 VanDerWaalsContact O-CB 3.28Å; P103-S106 WeakPolarHBondContact O-CB 3.38Å; P103-S106 PolarHBondContact O-N 2.82Å; P103-S106 PolarHBondContact O-OG 2.65Å; G104-S106 VanDerWaalsContact C-N 3.29Å
107	A	97.3	Very high	96.1	Very high	28 Å²	28	49.3 Å²	49.3	23%	0.231	31%	0.312	C	S	.	.	S	Bend	trans	-152.4	174	-178.1	0	0	0	0	0	111.6	K58 Q59 D105 Y109	K58-A107 HydrophobicContact CD-CB 4.15Å; K58-A107 VanDerWaalsContact CE-CB 3.41Å; K58-A107 HydrophobicContact CG-CB 3.61Å; Q59-A107 WeakPolarHBondContact O-CB 3.41Å; D105-A107 PolarHBondContact O-N 3.34Å; A107-Y109 HydrophobicContact CB-CE2 4.04Å; A107-Y109 WeakPolarHBondContact O-CD2 3.14Å
108	V	97.8	Very high	96	Very high	77 Å²	77	49.6 Å²	49.6	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.6	166.5	-170.9	0	0	0	0	108.8	Q59 F110	Q59-V108 HydrophobicContact CB-CB 4.4Å; Q59-V108 PolarHBondContact N-O 3.38Å; Q59-V108 PolarHBondContact O-N 2.82Å; V108-F110 HydrophobicContact CB-CE2 3.93Å; V108-F110 HydrophobicContact CB-CZ 4.31Å; V108-F110 HydrophobicContact CG1-CD2 4.13Å; V108-F110 HydrophobicContact CG1-CE1 4.11Å; V108-F110 HydrophobicContact CG1-CE2 3.4Å; V108-F110 HydrophobicContact CG1-CZ 3.4Å
109	Y	97.8	Very high	96	Very high	22 Å²	22	52.1 Å²	52.1	9%	0.086	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.1	178.5	-69.5	-98.5	0	0	0	110.2	Q27 I42 Y57 K58 L68 L96 D105 A107	Q27-Y109 PolarHBondContact NE2-O 3.38Å; I42-Y109 HydrophobicContact CD1-CD2 4.06Å; I42-Y109 HydrophobicContact CD1-CG 3.91Å; Y57-Y109 WeakPolarHBondContact O-CA 3.12Å; K58-Y109 HydrophobicContact CB-CD1 4.47Å; K58-Y109 HydrophobicContact CB-CE1 4.29Å; K58-Y109 HydrophobicContact CD-CE1 4.16Å; K58-Y109 VanDerWaalsContact CE-OH 3.29Å; K58-Y109 WeakPolarHBondContact CE-OH 3.15Å; K58-Y109 HydrophobicContact CG-CD1 4.42Å; K58-Y109 HydrophobicContact CG-CE1 3.96Å; L68-Y109 HydrophobicContact CD2-CD1 4.02Å; L68-Y109 HydrophobicContact CD2-CE1 3.72Å; L96-Y109 HydrophobicContact CD2-CD1 3.47Å; L96-Y109 VanDerWaalsContact CD2-CD1 3.47Å; L96-Y109 HydrophobicContact CD2-CE1 3.76Å; L96-Y109 HydrophobicContact CD2-CG 4.34Å; D105-Y109 WeakPolarHBondContact O-CE2 3.32Å; D105-Y109 PolarHBondContact O-OH 3.03Å; A107-Y109 HydrophobicContact CB-CE2 4.04Å; A107-Y109 WeakPolarHBondContact O-CD2 3.14Å
110	F	97.7	Very high	96.1	Very high	82 Å²	82	50.7 Å²	50.7	36%	0.36	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.8	178.1	-60.2	-89.1	0	0	0	110.5	W56 Y57 Q59 L65 V108	W56-F110 CarbonylContact C-O 3.5Å; W56-F110 WeakPolarHBondContact CA-O 3.49Å; Y57-F110 PolarHBondContact N-O 2.92Å; Y57-F110 PolarHBondContact O-N 3.4Å; Q59-F110 HydrophobicContact CB-CE2 4.07Å; L65-F110 HydrophobicContact CD1-CD2 3.48Å; L65-F110 VanDerWaalsContact CD1-CD2 3.48Å; L65-F110 HydrophobicContact CD1-CE2 3.93Å; L65-F110 HydrophobicContact CD1-CG 4.33Å; V108-F110 HydrophobicContact CB-CE2 3.93Å; V108-F110 HydrophobicContact CB-CZ 4.31Å; V108-F110 HydrophobicContact CG1-CD2 4.13Å; V108-F110 HydrophobicContact CG1-CE1 4.11Å; V108-F110 HydrophobicContact CG1-CE2 3.4Å; V108-F110 HydrophobicContact CG1-CZ 3.4Å
111	C	97.6	Very high	96.2	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	151.1	166	68.5	0	0	0	0	111	Q27 C44 Y55 W56 L94	Q27-C111 VanDerWaalsContact CG-SG 3.52Å; Q27-C111 PolarHBondContact OE1-SG 3.49Å; Q27-C111 VanDerWaalsContact OE1-SG 3.39Å; C44-C111 HydrophobicContact CB-CB 3.41Å; C44-C111 VanDerWaalsContact CB-CB 3.41Å; C44-C111 WeakPolarHBondContact CB-SG 3.13Å; C44-C111 WeakPolarHBondContact SG-CB 3.3Å; C44-C111 CovalentContact SG-SG 2.02Å; C44-C111 PolarHBondContact SG-SG 2.74Å; Y55-C111 CarbonylContact O-C 3.59Å; Y55-C111 VanDerWaalsContact O-CA 3.27Å; Y55-C111 WeakPolarHBondContact O-CA 3.14Å; W56-C111 HydrophobicContact CD2-CB 4.22Å; W56-C111 HydrophobicContact CE3-CB 4.01Å; W56-C111 HydrophobicContact CH2-CB 3.84Å; W56-C111 HydrophobicContact CZ2-CB 4.04Å; W56-C111 HydrophobicContact CZ3-CB 3.82Å; L94-C111 HydrophobicContact CD2-CB 4.4Å
112	A	96.9	Very high	96.2	Very high	32 Å²	32	55.3 Å²	55.3	26%	0.264	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.6	168.6	0	0	0	0	0	110.7	Y55 Y57	Y55-A112 HydrophobicContact CD2-CB 4.33Å; Y55-A112 PolarHBondContact N-O 3.46Å; Y55-A112 PolarHBondContact O-N 3.12Å; Y57-A112 HydrophobicContact CE2-CB 4.01Å
113	V	96.1	Very high	96.2	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.5	-179.3	-77.5	0	0	0	0	109.2	E23 V25 Y46 T51 Y53 F54	E23-V113 HydrophobicContact CB-CG2 3.79Å; E23-V113 VanDerWaalsContact OE2-CB 3.23Å; E23-V113 WeakPolarHBondContact OE2-CB 3.45Å; E23-V113 WeakPolarHBondContact OE2-CG2 2.84Å; V25-V113 HydrophobicContact CG1-CG1 4.41Å; V25-V113 HydrophobicContact CG1-CG2 3.41Å; V25-V113 VanDerWaalsContact CG1-CG2 3.41Å; Y46-V113 HydrophobicContact CD1-CG1 4.46Å; Y46-V113 HydrophobicContact CG-CG1 4.19Å; T51-V113 HydrophobicContact CG2-CB 3.48Å; T51-V113 VanDerWaalsContact CG2-CB 3.48Å; T51-V113 HydrophobicContact CG2-CG1 3.72Å; Y53-V113 WeakPolarHBondContact O-CA 3.5Å; F54-V113 HydrophobicContact CD1-CG1 3.53Å; F54-V113 HydrophobicContact CE1-CG1 3.72Å
114	S	92.9	Very high	96.4	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	32%	0.317	S	S	*	.			trans	-157.1	0	170.3	68	0	0	0	0	113.6	E23 A52 Y53	E23-S114 VanDerWaalsContact OE2-CA 3.3Å; E23-S114 WeakPolarHBondContact OE2-CA 3.45Å; E23-S114 PolarHBondContact OE2-N 3.2Å; E23-S114 VanDerWaalsContact OE2-N 3.13Å; A52-S114 PolarHBondContact N-O 2.88Å; Y53-S114 PolarHBondContact N-O 2.91Å; Y53-S114 PolarHBondContact O-N 3.43Å

Retrieved 114 of 114 residues in 88 ms (Link to these results)

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