A0A075B5Z7_MOUSE Loading...

T cell receptor alpha variable 5-1

AlphaFold DB , UniProt , Accession A0A075B5Z7, Species MOUSE (Mus musculus, Mouse), Gene Trav5-1, Length 114 aa.

						>A0A075B5Z7_MOUSE|A0A075B5Z7|Trav5-1
MKTAIHALFIFFWLQMDWKSQGEQVEQLPSSLIVQEGASVLINCSYTDSASVYFPWYKQEPGKRLQFIIDIRSNMERKQTQRLTLLFDKKTKHLSLHITATQPGDSAIYFCSAS
					

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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	61.2	Low	71.1	Confident	193 Å²	193	118.3 Å²	118.3	95%	0.951	61%	0.607	S	S	*	*				0	-49.1	0	-146.8	161.5	72	0	0	113.3	T3 A4 I5	M1-T3 PolarHBondContact O-N 3.18Å; M1-A4 PolarHBondContact O-N 3.22Å; M1-I5 PolarHBondContact O-N 2.91Å
2	K	64.3	Low	70.9	Confident	181 Å²	181	121 Å²	121	79%	0.787	61%	0.611	S	S	*	*	H	α-helix	trans	-60	-36.8	-180	-68.6	-178.7	176.8	179.2	0	115.3	I5 H6	K2-I5 PolarHBondContact O-N 3.25Å; K2-H6 PolarHBondContact O-N 2.94Å
3	T	70	Confident	70.9	Confident	119 Å²	119	126.4 Å²	126.4	73%	0.73	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-38.7	178.8	47.8	0	0	0	0	112.9	M1 I5 H6 A7	M1-T3 PolarHBondContact O-N 3.18Å; T3-I5 VanDerWaalsContact C-N 3.35Å; T3-H6 PolarHBondContact O-N 3.3Å; T3-A7 PolarHBondContact O-N 3.12Å
4	A	74.8	Confident	70.6	Confident	54 Å²	54	124.8 Å²	124.8	45%	0.446	62%	0.615	S	S	.	*	H	α-helix	trans	-64.5	-39.6	175.7	0	0	0	0	0	111.8	M1 A7 L8	M1-A4 PolarHBondContact O-N 3.22Å; A4-A7 PolarHBondContact O-N 3.28Å; A4-L8 VanDerWaalsContact O-CG 3.28Å; A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 2.78Å
5	I	74	Confident	70.2	Confident	81 Å²	81	126.5 Å²	126.5	42%	0.415	62%	0.621	S	S	.	*	H	α-helix	trans	-63.2	-44.6	176.1	-64.1	167.9	0	0	0	110.6	M1 K2 T3 A7 L8 F9	M1-I5 PolarHBondContact O-N 2.91Å; K2-I5 PolarHBondContact O-N 3.25Å; T3-I5 VanDerWaalsContact C-N 3.35Å; I5-A7 PolarHBondContact O-N 3.5Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-F9 HydrophobicContact CG2-CD2 3.66Å; I5-F9 HydrophobicContact CG2-CE2 3.5Å; I5-F9 VanDerWaalsContact CG2-CE2 3.5Å; I5-F9 VanDerWaalsContact O-CD2 3.23Å; I5-F9 WeakPolarHBondContact O-CD2 3.35Å; I5-F9 PolarHBondContact O-N 3.21Å
6	H	71.9	Confident	69.6	Low	134 Å²	134	127.1 Å²	127.1	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-61.6	-43.2	175.8	-101.6	132.4	0	0	0	112.9	K2 T3 L8 F9 I10	K2-H6 PolarHBondContact O-N 2.94Å; T3-H6 PolarHBondContact O-N 3.3Å; H6-L8 VanDerWaalsContact C-N 3.34Å; H6-L8 PolarHBondContact O-N 3.08Å; H6-F9 PolarHBondContact O-N 2.98Å; H6-I10 WeakPolarHBondContact O-CG1 3.32Å; H6-I10 PolarHBondContact O-N 2.86Å
7	A	75.5	Confident	69.1	Low	47 Å²	47	127.4 Å²	127.4	39%	0.388	63%	0.629	S	S	.	*	H	α-helix	trans	-61.2	-43.9	175.8	0	0	0	0	0	111.2	T3 A4 I5 F9 I10 F11	T3-A7 PolarHBondContact O-N 3.12Å; A4-A7 PolarHBondContact O-N 3.28Å; I5-A7 PolarHBondContact O-N 3.5Å; A7-F9 PolarHBondContact O-N 3.14Å; A7-I10 PolarHBondContact O-N 3.06Å; A7-F11 WeakPolarHBondContact O-CD2 3.43Å; A7-F11 PolarHBondContact O-N 2.71Å
8	L	74.5	Confident	69.2	Low	122 Å²	122	132.3 Å²	132.3	64%	0.639	64%	0.639	S	S	*	*	H	α-helix	trans	-60.2	-43.4	175.4	-72.8	168	0	0	0	112.1	A4 I5 H6 F11 F12	A4-L8 VanDerWaalsContact O-CG 3.28Å; A4-L8 WeakPolarHBondContact O-CG 3.47Å; A4-L8 PolarHBondContact O-N 2.78Å; I5-L8 PolarHBondContact O-N 2.81Å; H6-L8 VanDerWaalsContact C-N 3.34Å; H6-L8 PolarHBondContact O-N 3.08Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 2.8Å
9	F	72.4	Confident	68.6	Low	124 Å²	124	135.5 Å²	135.5	54%	0.544	65%	0.65	S	S	.	*	H	α-helix	trans	-60.9	-49.1	175.2	-86	-71.5	0	0	0	111.6	I5 H6 A7 F11 F12 W13	I5-F9 HydrophobicContact CG2-CD2 3.66Å; I5-F9 HydrophobicContact CG2-CE2 3.5Å; I5-F9 VanDerWaalsContact CG2-CE2 3.5Å; I5-F9 VanDerWaalsContact O-CD2 3.23Å; I5-F9 WeakPolarHBondContact O-CD2 3.35Å; I5-F9 PolarHBondContact O-N 3.21Å; H6-F9 PolarHBondContact O-N 2.98Å; A7-F9 PolarHBondContact O-N 3.14Å; F9-F11 VanDerWaalsContact C-N 3.31Å; F9-F11 PolarHBondContact O-N 2.84Å; F9-F12 WeakPolarHBondContact O-CB 3.12Å; F9-F12 PolarHBondContact O-N 2.96Å; F9-W13 PolarHBondContact O-N 2.69Å
10	I	75.2	Confident	68.3	Low	100 Å²	100	133.2 Å²	133.2	51%	0.513	65%	0.648	S	S	.	*	H	α-helix	trans	-59.6	-42	179.4	-66.2	166.1	0	0	0	111.3	H6 A7 F12 W13 L14	H6-I10 WeakPolarHBondContact O-CG1 3.32Å; H6-I10 PolarHBondContact O-N 2.86Å; A7-I10 PolarHBondContact O-N 3.06Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 2.78Å; I10-W13 PolarHBondContact O-N 3.09Å; I10-L14 HydrophobicContact CG2-CD1 4.01Å; I10-L14 WeakPolarHBondContact O-CD1 3.35Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 2.82Å
11	F	67.9	Low	68.1	Low	146 Å²	146	136.1 Å²	136.1	64%	0.64	66%	0.661	S	S	*	*	H	α-helix	trans	-64	-36.5	174.2	-93.2	-86.7	0	0	0	112.7	A7 L8 F9 L14 Q15	A7-F11 WeakPolarHBondContact O-CD2 3.43Å; A7-F11 PolarHBondContact O-N 2.71Å; L8-F11 PolarHBondContact O-N 2.77Å; F9-F11 VanDerWaalsContact C-N 3.31Å; F9-F11 PolarHBondContact O-N 2.84Å; F11-L14 PolarHBondContact O-N 3.07Å; F11-Q15 PolarHBondContact O-N 3Å
12	F	68.8	Low	68.5	Low	151 Å²	151	129.4 Å²	129.4	66%	0.662	64%	0.641	S	S	*	*	H	α-helix	trans	-69.8	-34.9	176	-136.4	-97	0	0	0	112.5	L8 F9 I10 Q15	L8-F12 WeakPolarHBondContact O-CB 3.33Å; L8-F12 PolarHBondContact O-N 2.8Å; F9-F12 WeakPolarHBondContact O-CB 3.12Å; F9-F12 PolarHBondContact O-N 2.96Å; I10-F12 VanDerWaalsContact C-N 3.34Å; I10-F12 PolarHBondContact O-N 2.78Å; F12-Q15 PolarHBondContact O-N 2.86Å
13	W	71.1	Confident	68.9	Low	191 Å²	191	125 Å²	125	72%	0.723	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-35.5	172.3	-74.1	104.7	0	0	0	112.4	F9 I10 Q15 M16	F9-W13 PolarHBondContact O-N 2.69Å; I10-W13 PolarHBondContact O-N 3.09Å; W13-Q15 VanDerWaalsContact C-N 3.35Å; W13-M16 WeakPolarHBondContact O-CB 3.36Å; W13-M16 PolarHBondContact O-N 3.12Å
14	L	66.9	Low	69.9	Low	104 Å²	104	124.3 Å²	124.3	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-71.4	-26.3	177.3	-75.5	158.4	0	0	0	113	I10 F11 M16 D17	I10-L14 HydrophobicContact CG2-CD1 4.01Å; I10-L14 WeakPolarHBondContact O-CD1 3.35Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 3.07Å; L14-M16 PolarHBondContact O-N 2.86Å; L14-D17 PolarHBondContact O-N 3.28Å
15	Q	64.6	Low	70.8	Confident	151 Å²	151	124.2 Å²	124.2	71%	0.706	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-7.3	175.3	-73.2	-175	-34.3	0	0	114	F11 F12 W13 D17	F11-Q15 PolarHBondContact O-N 3Å; F12-Q15 PolarHBondContact O-N 2.86Å; W13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-D17 PolarHBondContact O-N 2.95Å; Q15-D17 VanDerWaalsContact O-N 3.12Å
16	M	60.6	Low	71.9	Confident	135 Å²	135	125.1 Å²	125.1	67%	0.665	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	19.3	169.6	-68.9	-98.5	-65.7	0	0	112.6	W13 L14 W18	W13-M16 WeakPolarHBondContact O-CB 3.36Å; W13-M16 PolarHBondContact O-N 3.12Å; L14-M16 PolarHBondContact O-N 2.86Å; M16-W18 PolarHBondContact O-N 3.02Å
17	D	61.1	Low	73.2	Confident	133 Å²	133	121.3 Å²	121.3	71%	0.711	59%	0.59	S	S	*	*			trans	-62	62	154.8	-71.5	-27.7	0	0	0	109.4	L14 Q15 K19	L14-D17 PolarHBondContact O-N 3.28Å; Q15-D17 PolarHBondContact O-N 2.95Å; Q15-D17 VanDerWaalsContact O-N 3.12Å; D17-K19 PolarHBondContact O-N 2.93Å
18	W	70.5	Confident	74.2	Confident	216 Å²	216	124.6 Å²	124.6	82%	0.818	60%	0.6	S	S	*	*			trans	-59.7	93.6	168.4	-177	-57.6	0	0	0	105.4	M16 S20	M16-W18 PolarHBondContact O-N 3.02Å; W18-S20 VanDerWaalsContact C-N 3.27Å; W18-S20 PolarHBondContact O-N 3.28Å
19	K	58.3	Low	75.3	Confident	193 Å²	193	121.7 Å²	121.7	84%	0.839	59%	0.589	S	S	*	*			trans	-65.7	97.3	162.2	-67.6	-148.7	177.8	-167.2	0	105.9	D17 Q21	D17-K19 PolarHBondContact O-N 2.93Å; K19-Q21 VanDerWaalsContact C-N 3.35Å; K19-Q21 PolarHBondContact O-N 3.08Å
20	S	63.3	Low	76.4	Confident	89 Å²	89	121.4 Å²	121.4	62%	0.622	60%	0.602	S	S	*	*			trans	-64.6	107.5	164.4	48.4	0	0	0	0	104.8	W18 G22	W18-S20 VanDerWaalsContact C-N 3.27Å; W18-S20 PolarHBondContact O-N 3.28Å; S20-G22 PolarHBondContact O-N 2.98Å
21	Q	63.9	Low	77.5	Confident	195 Å²	195	121.3 Å²	121.3	91%	0.911	61%	0.61	S	S	*	*			trans	-65.3	84.9	152.2	-88.2	-179.6	2.4	0	0	104.7	K19	K19-Q21 VanDerWaalsContact C-N 3.35Å; K19-Q21 PolarHBondContact O-N 3.08Å
22	G	68.9	Low	78.8	Confident	51 Å²	51	118.5 Å²	118.5	53%	0.526	60%	0.602	S	S	.	*			trans	-58.6	140.7	172	0	0	0	0	0	108.2	S20 Q24	S20-G22 PolarHBondContact O-N 2.98Å; G22-Q24 PolarHBondContact O-N 2.91Å
23	E	73.1	Confident	80.2	Confident	90 Å²	90	119.4 Å²	119.4	42%	0.421	61%	0.612	S	S	.	*			trans	-56.6	125.2	164.5	-178.5	174.6	-170.6	0	0	108.2	D48 S51 A113	E23-D48 HydrophobicContact CG-CB 3.77Å; E23-D48 WeakPolarHBondContact OE1-CB 3.48Å; E23-S51 PolarHBondContact OE1-OG 2.82Å; E23-A113 WeakPolarHBondContact OE1-CB 3.46Å
24	Q	89.7	Confident	81.4	Confident	104 Å²	104	113.2 Å²	113.2	49%	0.486	60%	0.595	S	S	.	*			trans	-105.9	127.9	-177.9	-174.5	167.4	-33.9	0	0	108.9	G22 E26 Y46 T47	G22-Q24 PolarHBondContact O-N 2.91Å; Q24-E26 HydrophobicContact CG-CG 4.07Å; Q24-E26 PolarHBondContact NE2-OE1 2.88Å; Q24-Y46 WeakPolarHBondContact O-CA 3.39Å; Q24-T47 HydrophobicContact CB-CG2 3.99Å; Q24-T47 PolarHBondContact N-OG1 3.47Å; Q24-T47 VanDerWaalsContact N-OG1 3.1Å; Q24-T47 PolarHBondContact O-N 2.78Å; Q24-T47 VanDerWaalsContact O-N 3.11Å; Q24-T47 PolarHBondContact O-OG1 3.38Å
25	V	95.6	Very high	82.9	Confident	52 Å²	52	116.2 Å²	116.2	32%	0.315	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	127.2	171	178.9	0	0	0	0	107.4	C44 S45 C111 A113	V25-C44 WeakPolarHBondContact CG1-SG 3.38Å; V25-S45 CarbonylContact C-O 3.48Å; V25-S45 VanDerWaalsContact CA-O 3.26Å; V25-S45 WeakPolarHBondContact CA-O 3.35Å; V25-C111 WeakPolarHBondContact CG1-SG 3.49Å; V25-A113 HydrophobicContact CG2-CB 4.16Å
26	E	97.1	Very high	84.4	Confident	99 Å²	99	116 Å²	116	46%	0.463	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.9	140.7	179.2	-59.4	-172	152.4	0	0	111	Q24 C44 S45	Q24-E26 HydrophobicContact CG-CG 4.07Å; Q24-E26 PolarHBondContact NE2-OE1 2.88Å; E26-C44 CarbonylContact O-C 3.52Å; E26-C44 WeakPolarHBondContact O-CA 3.49Å; E26-S45 PolarHBondContact N-O 2.83Å; E26-S45 PolarHBondContact O-N 3.09Å
27	Q	97.7	Very high	86.2	Confident	55 Å²	55	111.9 Å²	111.9	26%	0.257	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	137.2	-178.4	-74.1	-179.6	-131.4	0	0	112.2	N43 C44 Y109 C111	Q27-N43 VanDerWaalsContact CA-O 3.28Å; Q27-N43 WeakPolarHBondContact CA-O 3.44Å; Q27-C44 HydrophobicContact CG-CB 4.24Å; Q27-Y109 PolarHBondContact NE2-O 2.67Å; Q27-C111 HydrophobicContact CG-CB 4.5Å; Q27-C111 WeakPolarHBondContact CG-SG 3.28Å; Q27-C111 PolarHBondContact OE1-SG 2.87Å
28	L	97.7	Very high	88	Confident	115 Å²	115	107.2 Å²	107.2	60%	0.602	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-141.8	141.5	177.3	-68.1	171.8	0	0	0	111.6	N43	L28-N43 PolarHBondContact N-O 2.78Å; L28-N43 WeakPolarHBondContact O-CB 3.28Å; L28-N43 PolarHBondContact O-N 2.88Å
29	P	97.5	Very high	89.3	Confident	61 Å²	61	100.2 Å²	100.2	40%	0.396	56%	0.561	S	S	.	*			cis	-70.8	158	-9.7	32.6	-35.6	0	0	0	111.4	S31 L32	P29-S31 VanDerWaalsContact C-N 3.31Å; P29-S31 PolarHBondContact O-N 2.86Å; P29-L32 HydrophobicContact CG-CB 4.33Å
30	S	95.8	Very high	91.2	Very high	118 Å²	118	91.7 Å²	91.7	83%	0.825	53%	0.525	S	S	*	.	S	Bend	trans	-70.2	-27.6	177.5	54	0	0	0	0	113.3
31	S	96.7	Very high	92.8	Very high	98 Å²	98	91.2 Å²	91.2	69%	0.685	52%	0.515	S	S	*	.			trans	-150.2	148.3	177.2	63.7	0	0	0	0	110.2	P29	P29-S31 VanDerWaalsContact C-N 3.31Å; P29-S31 PolarHBondContact O-N 2.86Å
32	L	96.1	Very high	94.5	Very high	88 Å²	88	82.8 Å²	82.8	46%	0.461	48%	0.476	S	S	.	.			trans	-147.3	140.4	-177.9	168.9	67.7	0	0	0	109.4	P29 V34 V40	P29-L32 HydrophobicContact CG-CB 4.33Å; L32-V34 HydrophobicContact CD1-CG1 3.63Å; L32-V34 HydrophobicContact CD2-CG1 3.82Å; L32-V34 HydrophobicContact CG-CG1 3.71Å; L32-V40 HydrophobicContact CD2-CB 3.93Å; L32-V40 HydrophobicContact CD2-CG1 3.29Å; L32-V40 HydrophobicContact CD2-CG2 3.57Å
33	I	97.5	Very high	95.9	Very high	169 Å²	169	83.7 Å²	83.7	87%	0.867	47%	0.469	S	S	*	.			trans	-120.1	126.7	168.5	-59	175.2	0	0	0	106.8
34	V	96.6	Very high	97.1	Very high	62 Å²	62	79.5 Å²	79.5	38%	0.376	45%	0.45	S	S	.	.			trans	-130.9	158.7	179	-71.1	0	0	0	0	111.4	L32 A38 V40 T101	L32-V34 HydrophobicContact CD1-CG1 3.63Å; L32-V34 HydrophobicContact CD2-CG1 3.82Å; L32-V34 HydrophobicContact CG-CG1 3.71Å; V34-A38 HydrophobicContact CB-CB 4.31Å; V34-V40 HydrophobicContact CB-CG2 4.24Å; V34-V40 HydrophobicContact CG1-CG2 3.75Å; V34-V40 HydrophobicContact CG2-CG2 3.61Å; V34-T101 HydrophobicContact CG2-CG2 4.32Å
35	Q	97.8	Very high	97.5	Very high	166 Å²	166	76 Å²	76	78%	0.776	44%	0.436	S	S	*	.			trans	-77.2	147.8	169	-66.5	-178.7	-13.5	0	0	110.4	A38 T101	Q35-A38 WeakPolarHBondContact O-CB 3.41Å; Q35-A38 PolarHBondContact O-N 2.8Å; Q35-A38 VanDerWaalsContact O-N 3.12Å; Q35-T101 PolarHBondContact O-OG1 2.6Å
36	E	97.9	Very high	97.5	Very high	147 Å²	147	74 Å²	74	69%	0.687	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	141	170.3	-173	176.2	176	0	0	110.9	A38 T101	E36-A38 PolarHBondContact O-N 3.37Å; E36-T101 WeakPolarHBondContact CG-O 3.28Å
37	G	98.2	Very high	97.5	Very high	48 Å²	48	72.9 Å²	72.9	50%	0.495	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-15.4	-176.6	0	0	0	0	0	114.6	T101	G37-T101 PolarHBondContact N-O 2.77Å
38	A	98.2	Very high	97.3	Very high	36 Å²	36	73.2 Å²	73.2	30%	0.298	43%	0.427	S	S	.	.			trans	-69	168.2	174.9	0	0	0	0	0	111.7	V34 Q35 E36 T101	V34-A38 HydrophobicContact CB-CB 4.31Å; Q35-A38 WeakPolarHBondContact O-CB 3.41Å; Q35-A38 PolarHBondContact O-N 2.8Å; Q35-A38 VanDerWaalsContact O-N 3.12Å; E36-A38 PolarHBondContact O-N 3.37Å; A38-T101 PolarHBondContact N-OG1 2.94Å; A38-T101 WeakPolarHBondContact O-CB 3.12Å; A38-T101 WeakPolarHBondContact O-CG2 3.26Å; A38-T101 PolarHBondContact O-N 3.11Å; A38-T101 PolarHBondContact O-OG1 3.33Å
39	S	97.8	Very high	97	Very high	68 Å²	68	71.8 Å²	71.8	48%	0.476	43%	0.427	S	S	.	.			trans	-104.1	144.1	173.2	-61.6	0	0	0	0	111.2	H97 I98	S39-H97 WeakPolarHBondContact CB-NE2 3.45Å; S39-I98 CarbonylContact C-O 3.58Å; S39-I98 VanDerWaalsContact CA-O 3.28Å; S39-I98 WeakPolarHBondContact CA-O 3.38Å
40	V	97.6	Very high	96.9	Very high	14 Å²	14	72.1 Å²	72.1	9%	0.085	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.8	-179.2	168.2	0	0	0	0	109.2	L32 V34 I42 H97 I98 T101	L32-V40 HydrophobicContact CD2-CB 3.93Å; L32-V40 HydrophobicContact CD2-CG1 3.29Å; L32-V40 HydrophobicContact CD2-CG2 3.57Å; V34-V40 HydrophobicContact CB-CG2 4.24Å; V34-V40 HydrophobicContact CG1-CG2 3.75Å; V34-V40 HydrophobicContact CG2-CG2 3.61Å; V40-I42 HydrophobicContact CG1-CD1 4.37Å; V40-I42 HydrophobicContact CG1-CG1 3.9Å; V40-H97 CarbonylContact O-C 3.54Å; V40-H97 VanDerWaalsContact O-CA 3.28Å; V40-H97 WeakPolarHBondContact O-CA 3.4Å; V40-H97 PolarHBondContact O-CD2 2.84Å; V40-I98 HydrophobicContact CB-CB 4.31Å; V40-I98 PolarHBondContact N-O 2.03Å; V40-I98 PolarHBondContact O-N 2.85Å; V40-T101 HydrophobicContact CB-CG2 4.38Å; V40-T101 HydrophobicContact CG2-CG2 3.65Å
41	L	98.3	Very high	96.9	Very high	79 Å²	79	66.6 Å²	66.6	41%	0.414	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.3	173.2	-169.5	153.4	0	0	0	109.4	N43 L96	L41-N43 VanDerWaalsContact CD2-CG 3.44Å; L41-N43 VanDerWaalsContact CD2-ND2 3.27Å; L41-N43 WeakPolarHBondContact CD2-ND2 3.46Å; L41-N43 WeakPolarHBondContact CD2-OD1 3.35Å; L41-L96 WeakPolarHBondContact CA-O 3.23Å
42	I	98.4	Very high	96.9	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.097	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.1	176.3	-51.2	175.4	0	0	0	107.3	V40 W56 S95 L96 Y109	V40-I42 HydrophobicContact CG1-CD1 4.37Å; V40-I42 HydrophobicContact CG1-CG1 3.9Å; I42-W56 HydrophobicContact CB-CH2 4.18Å; I42-W56 HydrophobicContact CB-CZ3 4.19Å; I42-W56 HydrophobicContact CG2-CH2 3.94Å; I42-W56 HydrophobicContact CG2-CZ3 3.89Å; I42-S95 CarbonylContact O-C 3.55Å; I42-S95 VanDerWaalsContact O-CA 3.22Å; I42-S95 WeakPolarHBondContact O-CA 3.49Å; I42-L96 HydrophobicContact CB-CB 4.48Å; I42-L96 HydrophobicContact CD1-CD2 4.47Å; I42-L96 PolarHBondContact N-O 2.97Å; I42-L96 PolarHBondContact O-N 3.02Å; I42-Y109 HydrophobicContact CD1-CD2 4.16Å; I42-Y109 HydrophobicContact CD1-CG 3.94Å
43	N	98.4	Very high	97	Very high	70 Å²	70	63.4 Å²	63.4	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147.6	175.9	-68.9	-56.4	0	0	0	110.6	Q27 L28 L41	Q27-N43 VanDerWaalsContact CA-O 3.28Å; Q27-N43 WeakPolarHBondContact CA-O 3.44Å; L28-N43 PolarHBondContact N-O 2.78Å; L28-N43 WeakPolarHBondContact O-CB 3.28Å; L28-N43 PolarHBondContact O-N 2.88Å; L41-N43 VanDerWaalsContact CD2-CG 3.44Å; L41-N43 VanDerWaalsContact CD2-ND2 3.27Å; L41-N43 WeakPolarHBondContact CD2-ND2 3.46Å; L41-N43 WeakPolarHBondContact CD2-OD1 3.35Å
44	C	98.3	Very high	97	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.1	175.3	175.4	0	0	0	0	109	V25 E26 Q27 W56 H93 L94 C111	V25-C44 WeakPolarHBondContact CG1-SG 3.38Å; E26-C44 CarbonylContact O-C 3.52Å; E26-C44 WeakPolarHBondContact O-CA 3.49Å; Q27-C44 HydrophobicContact CG-CB 4.24Å; C44-W56 HydrophobicContact CB-CH2 3.82Å; C44-W56 HydrophobicContact CB-CZ2 3.69Å; C44-H93 WeakPolarHBondContact O-CA 3.46Å; C44-L94 HydrophobicContact CB-CB 4.12Å; C44-L94 PolarHBondContact N-O 2.83Å; C44-L94 PolarHBondContact O-N 2.76Å; C44-L94 VanDerWaalsContact O-O 3.06Å; C44-C111 HydrophobicContact CB-CB 3.66Å; C44-C111 WeakPolarHBondContact CB-SG 3.48Å; C44-C111 WeakPolarHBondContact SG-CB 3.15Å; C44-C111 CovalentContact SG-SG 2.03Å; C44-C111 PolarHBondContact SG-SG 2.94Å
45	S	97.9	Very high	97.1	Very high	30 Å²	30	52.5 Å²	52.5	21%	0.21	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152.8	171.8	51.9	0	0	0	0	110	V25 E26 K92	V25-S45 CarbonylContact C-O 3.48Å; V25-S45 VanDerWaalsContact CA-O 3.26Å; V25-S45 WeakPolarHBondContact CA-O 3.35Å; E26-S45 PolarHBondContact N-O 2.83Å; E26-S45 PolarHBondContact O-N 3.09Å; S45-K92 WeakPolarHBondContact CA-O 3.28Å
46	Y	96.8	Very high	97.1	Very high	10 Å²	10	44.7 Å²	44.7	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.2	179.7	69.4	-74.6	0	0	0	111.4	Q24 D48 F54 F87 K92 L94 A113	Q24-Y46 WeakPolarHBondContact O-CA 3.39Å; Y46-D48 WeakPolarHBondContact CD2-O 3.19Å; Y46-D48 WeakPolarHBondContact CE2-O 3.28Å; Y46-F54 AromaticContact CD1-CE1 3.98Å; Y46-F54 HydrophobicContact CD1-CE1 3.98Å; Y46-F54 AromaticContact CD2-CE1 3.92Å; Y46-F54 HydrophobicContact CD2-CE1 3.92Å; Y46-F54 AromaticContact CE1-CE1 3.72Å; Y46-F54 HydrophobicContact CE1-CE1 3.72Å; Y46-F54 HydrophobicContact CE1-CZ 4.1Å; Y46-F54 AromaticContact CE2-CE1 3.65Å; Y46-F54 HydrophobicContact CE2-CE1 3.65Å; Y46-F54 AromaticContact CE2-CZ 3.85Å; Y46-F54 HydrophobicContact CE2-CZ 3.85Å; Y46-F54 HydrophobicContact CG-CE1 4.1Å; Y46-F54 AromaticContact CZ-CE1 3.58Å; Y46-F54 AromaticContact CZ-CZ 3.62Å; Y46-F87 AromaticContact CE1-CE2 3.79Å; Y46-F87 HydrophobicContact CE1-CE2 3.79Å; Y46-F87 AromaticContact CZ-CE2 3.98Å; Y46-F87 WeakPolarHBondContact OH-CE2 3.48Å; Y46-F87 WeakPolarHBondContact OH-CZ 3.22Å; Y46-K92 HydrophobicContact CD1-CB 3.84Å; Y46-K92 WeakPolarHBondContact CD1-O 2.88Å; Y46-K92 HydrophobicContact CE1-CB 3.53Å; Y46-K92 HydrophobicContact CE1-CG 4.18Å; Y46-K92 WeakPolarHBondContact CE1-O 3.36Å; Y46-K92 HydrophobicContact CE2-CB 4.33Å; Y46-K92 HydrophobicContact CE2-CD 4.37Å; Y46-K92 HydrophobicContact CE2-CG 4.26Å; Y46-K92 HydrophobicContact CG-CB 4.34Å; Y46-K92 PolarHBondContact N-O 2.78Å; Y46-K92 VanDerWaalsContact O-CB 3.29Å; Y46-K92 WeakPolarHBondContact O-CB 3.39Å; Y46-K92 VanDerWaalsContact O-CD 3.3Å; Y46-K92 WeakPolarHBondContact O-CD 3.27Å; Y46-L94 HydrophobicContact CD1-CD1 3.52Å; Y46-L94 HydrophobicContact CE1-CD1 3.87Å; Y46-L94 HydrophobicContact CG-CD1 4.47Å; Y46-A113 HydrophobicContact CD2-CB 3.99Å; Y46-A113 HydrophobicContact CG-CB 3.96Å
47	T	95.8	Very high	97.1	Very high	77 Å²	77	40.8 Å²	40.8	47%	0.472	26%	0.255	S	S	.	.			trans	-102.1	-30.3	-176.3	57.5	0	0	0	0	114.4	Q24 S49 K92	Q24-T47 HydrophobicContact CB-CG2 3.99Å; Q24-T47 PolarHBondContact N-OG1 3.47Å; Q24-T47 VanDerWaalsContact N-OG1 3.1Å; Q24-T47 PolarHBondContact O-N 2.78Å; Q24-T47 VanDerWaalsContact O-N 3.11Å; Q24-T47 PolarHBondContact O-OG1 3.38Å; T47-S49 PolarHBondContact O-N 3.23Å; T47-K92 PolarHBondContact O-NZ 2.88Å
48	D	94	Very high	97.1	Very high	61 Å²	61	39.9 Å²	39.9	33%	0.326	24%	0.238	S	C	.	.			trans	-74.9	125.7	-175.9	-177.9	13.4	0	0	0	111.6	E23 Y46 A50 S51	E23-D48 HydrophobicContact CG-CB 3.77Å; E23-D48 WeakPolarHBondContact OE1-CB 3.48Å; Y46-D48 WeakPolarHBondContact CD2-O 3.19Å; Y46-D48 WeakPolarHBondContact CE2-O 3.28Å; D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.26Å; D48-A50 PolarHBondContact OD1-N 3.12Å; D48-S51 WeakPolarHBondContact CB-OG 3.44Å; D48-S51 PolarHBondContact O-OG 3.49Å
49	S	92.2	Very high	97.1	Very high	86 Å²	86	41.4 Å²	41.4	60%	0.601	24%	0.239	S	C	*	.	S	Bend	trans	-78.7	-16.3	177.3	-62.5	0	0	0	0	113	T47 K92	T47-S49 PolarHBondContact O-N 3.23Å; S49-K92 WeakPolarHBondContact OG-CE 3.42Å; S49-K92 PolarHBondContact OG-NZ 3.46Å
50	A	94.4	Very high	97.1	Very high	68 Å²	68	41.2 Å²	41.2	56%	0.562	23%	0.23	S	C	*	.	S	Bend	trans	-80.9	-16.3	-179.7	0	0	0	0	0	112.8	D48 V52	D48-A50 VanDerWaalsContact C-N 3.3Å; D48-A50 WeakPolarHBondContact OD1-CB 3.26Å; D48-A50 PolarHBondContact OD1-N 3.12Å; A50-V52 PolarHBondContact O-N 2.69Å
51	S	95.4	Very high	97.1	Very high	1 Å²	1	46 Å²	46	1%	0.007	26%	0.261	C	S	.	.			trans	-60.8	127	179	-34	0	0	0	0	111.3	E23 D48 F54 S114	E23-S51 PolarHBondContact OE1-OG 2.82Å; D48-S51 WeakPolarHBondContact CB-OG 3.44Å; D48-S51 PolarHBondContact O-OG 3.49Å; S51-F54 WeakPolarHBondContact O-CZ 3.25Å; S51-S114 CarbonylContact C-O 3.39Å; S51-S114 VanDerWaalsContact CA-O 3.28Å; S51-S114 WeakPolarHBondContact CA-O 3.21Å
52	V	96.9	Very high	97	Very high	71 Å²	71	46.4 Å²	46.4	43%	0.43	29%	0.285	S	S	.	.			trans	-121.4	-9.2	-178.7	-68.2	0	0	0	0	113.7	A50 R72 S73 S114	A50-V52 PolarHBondContact O-N 2.69Å; V52-R72 WeakPolarHBondContact O-CA 3.43Å; V52-S73 PolarHBondContact O-N 3.34Å; V52-S114 PolarHBondContact N-O 3.38Å
53	Y	97.9	Very high	97	Very high	49 Å²	49	51.4 Å²	51.4	19%	0.192	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.1	-175.8	-177.4	-126.1	0	0	0	111.7	P55 D70 R72 S114	Y53-P55 HydrophobicContact CD1-CG 3.98Å; Y53-P55 HydrophobicContact CE1-CB 3.8Å; Y53-P55 HydrophobicContact CE1-CG 3.57Å; Y53-P55 WeakPolarHBondContact O-CD 3.04Å; Y53-D70 HydrophobicContact CD2-CB 4.28Å; Y53-D70 HydrophobicContact CE2-CB 3.38Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.42Å; Y53-D70 PolarHBondContact OH-OD2 3.34Å; Y53-R72 VanDerWaalsContact CD2-NH1 3.32Å; Y53-S114 PolarHBondContact N-O 2.9Å; Y53-S114 PolarHBondContact O-N 2.87Å; Y53-S114 PolarHBondContact O-OG 2.96Å; Y53-S114 VanDerWaalsContact O-OG 3.11Å
54	F	98	Very high	97	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	80.5	-173.2	-51.5	-87	0	0	0	111.7	Y46 S51 D70 I71 F87 L94 S112 A113	Y46-F54 AromaticContact CD1-CE1 3.98Å; Y46-F54 HydrophobicContact CD1-CE1 3.98Å; Y46-F54 AromaticContact CD2-CE1 3.92Å; Y46-F54 HydrophobicContact CD2-CE1 3.92Å; Y46-F54 AromaticContact CE1-CE1 3.72Å; Y46-F54 HydrophobicContact CE1-CE1 3.72Å; Y46-F54 HydrophobicContact CE1-CZ 4.1Å; Y46-F54 AromaticContact CE2-CE1 3.65Å; Y46-F54 HydrophobicContact CE2-CE1 3.65Å; Y46-F54 AromaticContact CE2-CZ 3.85Å; Y46-F54 HydrophobicContact CE2-CZ 3.85Å; Y46-F54 HydrophobicContact CG-CE1 4.1Å; Y46-F54 AromaticContact CZ-CE1 3.58Å; Y46-F54 AromaticContact CZ-CZ 3.62Å; S51-F54 WeakPolarHBondContact O-CZ 3.25Å; F54-D70 WeakPolarHBondContact O-CA 3.23Å; F54-I71 HydrophobicContact CB-CG2 3.96Å; F54-I71 HydrophobicContact CD2-CG2 4.35Å; F54-I71 WeakPolarHBondContact CD2-O 3Å; F54-I71 PolarHBondContact N-O 2.79Å; F54-I71 PolarHBondContact O-N 2.92Å; F54-I71 VanDerWaalsContact O-N 3.14Å; F54-F87 HydrophobicContact CD2-CD2 4.43Å; F54-F87 HydrophobicContact CD2-CE2 4.03Å; F54-F87 HydrophobicContact CD2-CZ 4.22Å; F54-F87 HydrophobicContact CE1-CE2 4.12Å; F54-F87 HydrophobicContact CE2-CD2 4.35Å; F54-F87 HydrophobicContact CE2-CE1 4.14Å; F54-F87 AromaticContact CE2-CE2 3.55Å; F54-F87 HydrophobicContact CE2-CE2 3.55Å; F54-F87 AromaticContact CE2-CZ 3.41Å; F54-F87 HydrophobicContact CE2-CZ 3.41Å; F54-F87 VanDerWaalsContact CE2-CZ 3.41Å; F54-F87 AromaticContact CZ-CE2 3.6Å; F54-F87 HydrophobicContact CZ-CE2 3.6Å; F54-F87 AromaticContact CZ-CZ 3.62Å; F54-F87 HydrophobicContact CZ-CZ 3.62Å; F54-L94 HydrophobicContact CB-CD2 3.38Å; F54-L94 HydrophobicContact CD1-CD1 3.68Å; F54-L94 HydrophobicContact CD1-CD2 3.73Å; F54-L94 HydrophobicContact CD1-CG 4.3Å; F54-L94 HydrophobicContact CD2-CD2 4.06Å; F54-L94 HydrophobicContact CE1-CD1 4.16Å; F54-L94 HydrophobicContact CG-CD1 4.3Å; F54-L94 HydrophobicContact CG-CD2 3.45Å; F54-L94 VanDerWaalsContact CG-CD2 3.45Å; F54-L94 HydrophobicContact CG-CG 4.48Å; F54-S112 VanDerWaalsContact CA-O 3.28Å; F54-S112 WeakPolarHBondContact CA-O 3.18Å; F54-A113 HydrophobicContact CD1-CB 3.73Å; F54-A113 HydrophobicContact CE1-CB 3.7Å
55	P	98	Very high	97	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	145.6	177.6	31.4	-31.6	0	0	0	111.5	Y53 Y57 F67 D70 S112	Y53-P55 HydrophobicContact CD1-CG 3.98Å; Y53-P55 HydrophobicContact CE1-CB 3.8Å; Y53-P55 HydrophobicContact CE1-CG 3.57Å; Y53-P55 WeakPolarHBondContact O-CD 3.04Å; P55-Y57 HydrophobicContact CB-CE2 3.82Å; P55-Y57 HydrophobicContact CG-CE2 3.77Å; P55-Y57 WeakPolarHBondContact CG-OH 3.39Å; P55-F67 HydrophobicContact CB-CD2 4.16Å; P55-F67 HydrophobicContact CB-CE2 3.96Å; P55-D70 HydrophobicContact CB-CB 4.32Å; P55-S112 PolarHBondContact O-N 2.75Å; P55-S112 VanDerWaalsContact O-N 3.09Å
56	W	98.4	Very high	97	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.9	169.7	-74.2	74.3	0	0	0	110.1	I42 C44 I68 I69 L85 L94 L96 F110 C111	I42-W56 HydrophobicContact CB-CH2 4.18Å; I42-W56 HydrophobicContact CB-CZ3 4.19Å; I42-W56 HydrophobicContact CG2-CH2 3.94Å; I42-W56 HydrophobicContact CG2-CZ3 3.89Å; C44-W56 HydrophobicContact CB-CH2 3.82Å; C44-W56 HydrophobicContact CB-CZ2 3.69Å; W56-I68 HydrophobicContact CB-CD1 4.06Å; W56-I68 HydrophobicContact CB-CG1 3.91Å; W56-I68 WeakPolarHBondContact O-CG1 3.47Å; W56-I68 PolarHBondContact O-N 3.01Å; W56-I69 HydrophobicContact CB-CG2 4.22Å; W56-I69 PolarHBondContact N-O 2.93Å; W56-L85 HydrophobicContact CD2-CD2 4.38Å; W56-L85 HydrophobicContact CG-CD2 4.07Å; W56-L94 HydrophobicContact CZ2-CB 4.43Å; W56-L96 HydrophobicContact CD2-CB 3.92Å; W56-L96 HydrophobicContact CD2-CD2 4.08Å; W56-L96 HydrophobicContact CE3-CB 3.81Å; W56-L96 HydrophobicContact CE3-CD2 3.56Å; W56-L96 HydrophobicContact CE3-CG 4.31Å; W56-L96 HydrophobicContact CH2-CB 3.69Å; W56-L96 HydrophobicContact CZ2-CB 3.82Å; W56-L96 HydrophobicContact CZ3-CB 3.7Å; W56-L96 HydrophobicContact CZ3-CD2 3.96Å; W56-L96 HydrophobicContact CZ3-CG 4.49Å; W56-F110 CarbonylContact C-O 3.54Å; W56-F110 WeakPolarHBondContact CA-O 3.49Å; W56-C111 HydrophobicContact CD2-CB 3.77Å; W56-C111 HydrophobicContact CE3-CB 3.87Å; W56-C111 HydrophobicContact CH2-CB 3.71Å; W56-C111 HydrophobicContact CZ2-CB 3.56Å; W56-C111 HydrophobicContact CZ3-CB 3.84Å
57	Y	98.4	Very high	97.1	Very high	66 Å²	66	67.1 Å²	67.1	26%	0.259	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.9	-179.5	-55.2	-92	0	0	0	111.1	P55 L65 Q66 F67 Y109 F110	P55-Y57 HydrophobicContact CB-CE2 3.82Å; P55-Y57 HydrophobicContact CG-CE2 3.77Å; P55-Y57 WeakPolarHBondContact CG-OH 3.39Å; Y57-L65 HydrophobicContact CD1-CD2 4.08Å; Y57-L65 HydrophobicContact CD1-CG 4.01Å; Y57-L65 HydrophobicContact CG-CD1 4.31Å; Y57-L65 HydrophobicContact CG-CD2 3.98Å; Y57-L65 HydrophobicContact CG-CG 3.99Å; Y57-Q66 CarbonylContact C-O 3.58Å; Y57-Q66 WeakPolarHBondContact CA-O 3.36Å; Y57-Q66 WeakPolarHBondContact CB-O 3.49Å; Y57-F67 HydrophobicContact CD1-CB 4.16Å; Y57-F67 HydrophobicContact CE1-CB 4.1Å; Y57-F67 HydrophobicContact CE1-CD2 4.32Å; Y57-Y109 WeakPolarHBondContact O-CA 3.45Å; Y57-F110 PolarHBondContact N-O 2.7Å; Y57-F110 PolarHBondContact O-N 3.34Å
58	K	98.1	Very high	97.2	Very high	29 Å²	29	65.4 Å²	65.4	13%	0.126	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	171.8	-176.2	-169	-179.4	-160.4	0	108.9	E60 Q66 I68 G104 A107 I108 Y109	K58-E60 HydrophobicContact CD-CG 4.43Å; K58-E60 IonicContact NZ-OE1 3.32Å; K58-E60 PolarHBondContact NZ-OE1 2.94Å; K58-Q66 PolarHBondContact N-O 2.98Å; K58-Q66 PolarHBondContact O-N 3.3Å; K58-I68 HydrophobicContact CB-CD1 4.44Å; K58-I68 HydrophobicContact CB-CG2 3.59Å; K58-G104 PolarHBondContact NZ-O 3.28Å; K58-A107 HydrophobicContact CD-CB 4.06Å; K58-A107 HydrophobicContact CG-CB 3.51Å; K58-I108 CarbonylContact C-O 3.57Å; K58-I108 WeakPolarHBondContact CA-O 3.5Å; K58-Y109 HydrophobicContact CB-CD1 4.38Å; K58-Y109 HydrophobicContact CB-CE1 4.17Å; K58-Y109 HydrophobicContact CD-CE1 4.4Å; K58-Y109 HydrophobicContact CG-CE1 4.05Å; K58-Y109 HydrophobicContact CG-CE2 4.5Å
59	Q	98.6	Very high	97.4	Very high	68 Å²	68	62.7 Å²	62.7	32%	0.318	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.1	170.4	-170.5	176.1	26	0	0	110.1	K63 L65 A107 I108 F110	Q59-K63 WeakPolarHBondContact CG-O 3.35Å; Q59-K63 PolarHBondContact NE2-O 3.5Å; Q59-K63 VanDerWaalsContact NE2-O 3.09Å; Q59-L65 HydrophobicContact CB-CD1 3.95Å; Q59-A107 WeakPolarHBondContact O-CB 3.28Å; Q59-I108 PolarHBondContact N-O 3.23Å; Q59-I108 PolarHBondContact O-N 2.86Å; Q59-F110 HydrophobicContact CB-CE2 3.92Å
60	E	97.8	Very high	97.7	Very high	63 Å²	63	59.8 Å²	59.8	29%	0.294	32%	0.318	S	S	.	.			trans	-77.7	152.8	171.5	-65	171.2	151.3	0	0	110.3	K58 G62 K63 A107	K58-E60 HydrophobicContact CD-CG 4.43Å; K58-E60 IonicContact NZ-OE1 3.32Å; K58-E60 PolarHBondContact NZ-OE1 2.94Å; E60-G62 PolarHBondContact O-N 3.37Å; E60-K63 HydrophobicContact CB-CB 4.02Å; E60-K63 HydrophobicContact CB-CG 3.78Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 PolarHBondContact O-N 2.96Å; E60-A107 HydrophobicContact CG-CB 4.22Å
61	P	96.9	Very high	97.9	Very high	114 Å²	114	56.6 Å²	56.6	74%	0.74	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	125.5	178.3	-27.7	35.5	0	0	0	112.6	K63	P61-K63 PolarHBondContact O-N 3.42Å
62	G	97.5	Very high	98	Very high	89 Å²	89	62 Å²	62	92%	0.918	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	8.5	-179.5	0	0	0	0	0	115.2	E60	E60-G62 PolarHBondContact O-N 3.37Å
63	K	98	Very high	98	Very high	124 Å²	124	59.9 Å²	59.9	54%	0.539	30%	0.3	S	S	.	.	S	Bend	trans	-106.5	161.4	175.9	-55.3	-59.7	-176.9	180	0	111.1	Q59 E60 P61	Q59-K63 WeakPolarHBondContact CG-O 3.35Å; Q59-K63 PolarHBondContact NE2-O 3.5Å; Q59-K63 VanDerWaalsContact NE2-O 3.09Å; E60-K63 HydrophobicContact CB-CB 4.02Å; E60-K63 HydrophobicContact CB-CG 3.78Å; E60-K63 WeakPolarHBondContact O-CB 3.17Å; E60-K63 PolarHBondContact O-N 2.96Å; P61-K63 PolarHBondContact O-N 3.42Å
64	R	98	Very high	97.9	Very high	188 Å²	188	64.2 Å²	64.2	71%	0.709	33%	0.326	S	S	*	.			trans	-68.5	158.8	171.3	63.8	179.1	177.3	80.1	-0.6	111
65	L	98.1	Very high	97.9	Very high	78 Å²	78	67.5 Å²	67.5	41%	0.408	34%	0.342	S	S	.	.			trans	-61.8	134.5	170.3	-165.4	66.4	0	0	0	110.2	Y57 Q59 F110	Y57-L65 HydrophobicContact CD1-CD2 4.08Å; Y57-L65 HydrophobicContact CD1-CG 4.01Å; Y57-L65 HydrophobicContact CG-CD1 4.31Å; Y57-L65 HydrophobicContact CG-CD2 3.98Å; Y57-L65 HydrophobicContact CG-CG 3.99Å; Q59-L65 HydrophobicContact CB-CD1 3.95Å; L65-F110 HydrophobicContact CD1-CD2 3.48Å; L65-F110 VanDerWaalsContact CD1-CD2 3.48Å; L65-F110 HydrophobicContact CD1-CE2 3.82Å; L65-F110 HydrophobicContact CD1-CG 4.38Å
66	Q	98.3	Very high	97.9	Very high	70 Å²	70	75.1 Å²	75.1	33%	0.327	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	-178.1	-64	179.4	53.2	0	0	110.2	Y57 K58	Y57-Q66 CarbonylContact C-O 3.58Å; Y57-Q66 WeakPolarHBondContact CA-O 3.36Å; Y57-Q66 WeakPolarHBondContact CB-O 3.49Å; K58-Q66 PolarHBondContact N-O 2.98Å; K58-Q66 PolarHBondContact O-N 3.3Å
67	F	98.1	Very high	98	Very high	104 Å²	104	82.7 Å²	82.7	46%	0.456	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.8	170.6	172	-101.8	0	0	0	110.2	P55 Y57 I69 D70	P55-F67 HydrophobicContact CB-CD2 4.16Å; P55-F67 HydrophobicContact CB-CE2 3.96Å; Y57-F67 HydrophobicContact CD1-CB 4.16Å; Y57-F67 HydrophobicContact CE1-CB 4.1Å; Y57-F67 HydrophobicContact CE1-CD2 4.32Å; F67-I69 VanDerWaalsContact CE2-C 3.46Å; F67-I69 WeakPolarHBondContact CE2-O 3.46Å; F67-I69 VanDerWaalsContact CZ-C 3.48Å; F67-D70 HydrophobicContact CE2-CB 3.79Å; F67-D70 HydrophobicContact CZ-CB 3.89Å
68	I	97.6	Very high	98	Very high	41 Å²	41	83 Å²	83	21%	0.21	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-43.9	-179.7	53.4	164.7	0	0	0	113.7	W56 K58 L83 L96 Y109	W56-I68 HydrophobicContact CB-CD1 4.06Å; W56-I68 HydrophobicContact CB-CG1 3.91Å; W56-I68 WeakPolarHBondContact O-CG1 3.47Å; W56-I68 PolarHBondContact O-N 3.01Å; K58-I68 HydrophobicContact CB-CD1 4.44Å; K58-I68 HydrophobicContact CB-CG2 3.59Å; I68-L83 HydrophobicContact CB-CD1 4.31Å; I68-L83 HydrophobicContact CD1-CD1 4.29Å; I68-L96 HydrophobicContact CD1-CD2 4Å; I68-Y109 HydrophobicContact CD1-CD1 3.82Å; I68-Y109 HydrophobicContact CD1-CE1 3.83Å
69	I	98.4	Very high	98	Very high	4 Å²	4	87.2 Å²	87.2	2%	0.021	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	154.2	-179.8	-176.4	161.7	0	0	0	108.9	W56 F67 K78 T80 L83 L85 L96	W56-I69 HydrophobicContact CB-CG2 4.22Å; W56-I69 PolarHBondContact N-O 2.93Å; F67-I69 VanDerWaalsContact CE2-C 3.46Å; F67-I69 WeakPolarHBondContact CE2-O 3.46Å; F67-I69 VanDerWaalsContact CZ-C 3.48Å; I69-K78 HydrophobicContact CD1-CD 4.12Å; I69-K78 HydrophobicContact CD1-CG 4.21Å; I69-K78 HydrophobicContact CG1-CD 4.09Å; I69-T80 HydrophobicContact CB-CG2 4.42Å; I69-T80 HydrophobicContact CD1-CG2 3.66Å; I69-T80 HydrophobicContact CG1-CG2 4.4Å; I69-L83 HydrophobicContact CG2-CD1 4.42Å; I69-L85 HydrophobicContact CB-CD1 4.34Å; I69-L85 HydrophobicContact CD1-CD1 4.3Å; I69-L85 HydrophobicContact CD1-CG 4.03Å; I69-L85 HydrophobicContact CG1-CD1 3.78Å; I69-L85 HydrophobicContact CG1-CG 4.03Å; I69-L85 HydrophobicContact CG2-CD1 3.86Å; I69-L85 HydrophobicContact CG2-CD2 3.97Å; I69-L85 HydrophobicContact CG2-CG 3.85Å; I69-L96 HydrophobicContact CG2-CD1 4.29Å
70	D	98.2	Very high	97.9	Very high	25 Å²	25	86.7 Å²	86.7	13%	0.134	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.4	172.1	52.3	22.7	0	0	0	111.5	Y53 F54 P55 F67 K78 L85	Y53-D70 HydrophobicContact CD2-CB 4.28Å; Y53-D70 HydrophobicContact CE2-CB 3.38Å; Y53-D70 WeakPolarHBondContact CE2-OD2 3.42Å; Y53-D70 PolarHBondContact OH-OD2 3.34Å; F54-D70 WeakPolarHBondContact O-CA 3.23Å; P55-D70 HydrophobicContact CB-CB 4.32Å; F67-D70 HydrophobicContact CE2-CB 3.79Å; F67-D70 HydrophobicContact CZ-CB 3.89Å; D70-K78 WeakPolarHBondContact O-CD 3.37Å; D70-K78 PolarHBondContact O-NZ 3.47Å; D70-K78 IonicContact OD1-NZ 2.6Å; D70-K78 PolarHBondContact OD1-NZ 3.07Å; D70-L85 VanDerWaalsContact C-CD1 3.45Å
71	I	98.5	Very high	97.8	Very high	1 Å²	1	92 Å²	92	1%	0.005	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.9	165.1	-166.2	160.8	0	0	0	109.6	F54 M75 K78 L85 F87 L94	F54-I71 HydrophobicContact CB-CG2 3.96Å; F54-I71 HydrophobicContact CD2-CG2 4.35Å; F54-I71 WeakPolarHBondContact CD2-O 3Å; F54-I71 PolarHBondContact N-O 2.79Å; F54-I71 PolarHBondContact O-N 2.92Å; F54-I71 VanDerWaalsContact O-N 3.14Å; I71-M75 HydrophobicContact CD1-CB 4.01Å; I71-M75 HydrophobicContact CG1-CB 3.72Å; I71-K78 HydrophobicContact CD1-CB 4.12Å; I71-K78 HydrophobicContact CG1-CB 4.36Å; I71-L85 HydrophobicContact CB-CB 4.35Å; I71-L85 HydrophobicContact CB-CD1 3.86Å; I71-L85 HydrophobicContact CD1-CB 4.3Å; I71-L85 HydrophobicContact CG2-CB 4.46Å; I71-L85 HydrophobicContact CG2-CD1 3.97Å; I71-F87 HydrophobicContact CD1-CB 3.82Å; I71-F87 HydrophobicContact CG1-CB 4.4Å; I71-F87 HydrophobicContact CG2-CB 4.12Å; I71-L94 HydrophobicContact CG2-CD2 3.86Å
72	R	98.1	Very high	97.8	Very high	116 Å²	116	89.3 Å²	89.3	44%	0.438	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.2	177.4	-65.5	-77.1	178	-179	-1.6	108.9	V52 Y53 N74 M75	V52-R72 WeakPolarHBondContact O-CA 3.43Å; Y53-R72 VanDerWaalsContact CD2-NH1 3.32Å; R72-N74 WeakPolarHBondContact CB-OD1 3.16Å; R72-N74 PolarHBondContact O-N 3.49Å; R72-M75 WeakPolarHBondContact O-CB 3.49Å; R72-M75 PolarHBondContact O-N 3.06Å
73	S	96.6	Very high	97.9	Very high	26 Å²	26	86.2 Å²	86.2	18%	0.182	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.3	-174.3	67.4	0	0	0	0	116.5	V52	V52-S73 PolarHBondContact O-N 3.34Å
74	N	96.8	Very high	97.9	Very high	139 Å²	139	80.9 Å²	80.9	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	4.4	174.4	67.5	-31.7	0	0	0	113.4	R72	R72-N74 WeakPolarHBondContact CB-OD1 3.16Å; R72-N74 PolarHBondContact O-N 3.49Å
75	M	98.3	Very high	97.9	Very high	70 Å²	70	72 Å²	72	35%	0.345	34%	0.337	S	S	.	.			trans	-121.4	136.7	179.7	-59	178.4	70.2	0	0	109.7	I71 R72 K78 F87	I71-M75 HydrophobicContact CD1-CB 4.01Å; I71-M75 HydrophobicContact CG1-CB 3.72Å; R72-M75 WeakPolarHBondContact O-CB 3.49Å; R72-M75 PolarHBondContact O-N 3.06Å; M75-K78 HydrophobicContact CE-CB 4.1Å; M75-K78 HydrophobicContact CE-CG 4.16Å; M75-F87 VanDerWaalsContact O-CD1 3.26Å; M75-F87 WeakPolarHBondContact O-CD1 3.3Å
76	E	98.2	Very high	97.9	Very high	162 Å²	162	71.3 Å²	71.3	76%	0.757	33%	0.334	S	S	*	.	S	Bend	trans	-94.7	-20.3	175.7	-63.4	178	172.7	0	0	112.5	L86 F87	E76-L86 WeakPolarHBondContact O-CA 3.31Å; E76-F87 PolarHBondContact O-N 3.2Å
77	R	98.6	Very high	98	Very high	160 Å²	160	68.6 Å²	68.6	60%	0.604	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	141.7	-179	178.4	-178.8	-68.7	-149.4	0.3	110.7	T84 L85 L86	R77-T84 HydrophobicContact CG-CG2 4.24Å; R77-L85 VanDerWaalsContact CA-O 3.3Å; R77-L85 WeakPolarHBondContact CA-O 3.35Å; R77-L86 HydrophobicContact CB-CD2 4.18Å; R77-L86 HydrophobicContact CG-CD2 3.98Å
78	K	98.6	Very high	97.9	Very high	71 Å²	71	66.9 Å²	66.9	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.7	165.1	-168.9	-173.6	-176.1	166.3	0	109.4	I69 D70 I71 M75 T84 L85	I69-K78 HydrophobicContact CD1-CD 4.12Å; I69-K78 HydrophobicContact CD1-CG 4.21Å; I69-K78 HydrophobicContact CG1-CD 4.09Å; D70-K78 WeakPolarHBondContact O-CD 3.37Å; D70-K78 PolarHBondContact O-NZ 3.47Å; D70-K78 IonicContact OD1-NZ 2.6Å; D70-K78 PolarHBondContact OD1-NZ 3.07Å; I71-K78 HydrophobicContact CD1-CB 4.12Å; I71-K78 HydrophobicContact CG1-CB 4.36Å; M75-K78 HydrophobicContact CE-CB 4.1Å; M75-K78 HydrophobicContact CE-CG 4.16Å; K78-T84 CarbonylContact O-C 3.59Å; K78-T84 WeakPolarHBondContact O-CA 3.46Å; K78-L85 PolarHBondContact N-O 3.37Å; K78-L85 PolarHBondContact O-N 3.37Å
79	Q	98.3	Very high	97.8	Very high	119 Å²	119	70.3 Å²	70.3	56%	0.556	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.6	179.5	-177.9	169.1	-15	0	0	110.4	L83 T84	Q79-L83 CarbonylContact C-O 3.57Å; Q79-L83 WeakPolarHBondContact CA-O 3.49Å; Q79-T84 HydrophobicContact CB-CG2 4.42Å; Q79-T84 VanDerWaalsContact CD-OG1 3.29Å; Q79-T84 WeakPolarHBondContact CG-OG1 3.3Å; Q79-T84 PolarHBondContact OE1-OG1 3.04Å
80	T	97	Very high	97.7	Very high	57 Å²	57	79.4 Å²	79.4	35%	0.35	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	122.8	167.9	-172.5	0	0	0	0	108.9	I69 R82 L83	I69-T80 HydrophobicContact CB-CG2 4.42Å; I69-T80 HydrophobicContact CD1-CG2 3.66Å; I69-T80 HydrophobicContact CG1-CG2 4.4Å; T80-R82 PolarHBondContact O-N 2.94Å; T80-L83 HydrophobicContact CG2-CB 4.11Å; T80-L83 HydrophobicContact CG2-CD1 4.44Å; T80-L83 PolarHBondContact N-O 3.49Å; T80-L83 PolarHBondContact O-N 3.37Å; T80-L83 VanDerWaalsContact O-O 3.14Å
81	Q	95.8	Very high	97.6	Very high	175 Å²	175	81.7 Å²	81.7	82%	0.818	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-114.8	-179.4	-55.7	175.1	-48.7	0	0	111.6
82	R	97.2	Very high	97.6	Very high	56 Å²	56	84.2 Å²	84.2	21%	0.211	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.3	-179.7	-61.1	-176.3	-56.8	109.5	-3.3	114.2	T80 I98 T99 A100 D105	T80-R82 PolarHBondContact O-N 2.94Å; R82-I98 WeakPolarHBondContact O-CA 3.39Å; R82-T99 WeakPolarHBondContact CB-O 3.35Å; R82-T99 WeakPolarHBondContact CD-O 3.4Å; R82-T99 PolarHBondContact NH1-O 3.14Å; R82-T99 PolarHBondContact O-N 2.98Å; R82-T99 PolarHBondContact O-OG1 3.26Å; R82-A100 PolarHBondContact NH1-O 3.35Å; R82-A100 VanDerWaalsContact NH1-O 3.08Å; R82-D105 IonicContact CZ-OD1 2.77Å; R82-D105 IonicContact CZ-OD2 3.06Å; R82-D105 VanDerWaalsContact CZ-OD2 3.32Å; R82-D105 IonicContact NH1-OD1 2.78Å; R82-D105 IonicContact NH1-OD2 3.72Å; R82-D105 PolarHBondContact NH1-OD2 2.71Å; R82-D105 VanDerWaalsContact NH2-CG 3.32Å; R82-D105 IonicContact NH2-OD1 3.76Å; R82-D105 PolarHBondContact NH2-OD1 3.38Å; R82-D105 IonicContact NH2-OD2 2.71Å; R82-D105 PolarHBondContact NH2-OD2 2.8Å
83	L	98.4	Very high	97.6	Very high	24 Å²	24	82.8 Å²	82.8	13%	0.126	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.6	-178.3	-54.2	-179.1	0	0	0	110.3	I68 I69 Q79 T80 L96 H97 I98	I68-L83 HydrophobicContact CB-CD1 4.31Å; I68-L83 HydrophobicContact CD1-CD1 4.29Å; I69-L83 HydrophobicContact CG2-CD1 4.42Å; Q79-L83 CarbonylContact C-O 3.57Å; Q79-L83 WeakPolarHBondContact CA-O 3.49Å; T80-L83 HydrophobicContact CG2-CB 4.11Å; T80-L83 HydrophobicContact CG2-CD1 4.44Å; T80-L83 PolarHBondContact N-O 3.49Å; T80-L83 PolarHBondContact O-N 3.37Å; T80-L83 VanDerWaalsContact O-O 3.14Å; L83-L96 HydrophobicContact CB-CD1 4.24Å; L83-L96 HydrophobicContact CD2-CD1 4.32Å; L83-H97 CarbonylContact C-O 3.49Å; L83-H97 WeakPolarHBondContact CA-O 3.29Å; L83-I98 HydrophobicContact CD2-CB 4.13Å; L83-I98 HydrophobicContact CD2-CD1 4.06Å; L83-I98 HydrophobicContact CD2-CG1 3.63Å; L83-I98 HydrophobicContact CD2-CG2 3.88Å
84	T	98.7	Very high	97.6	Very high	13 Å²	13	81.7 Å²	81.7	8%	0.08	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.1	173.6	-58.4	0	0	0	0	109.6	R77 K78 Q79 L86 H97	R77-T84 HydrophobicContact CG-CG2 4.24Å; K78-T84 CarbonylContact O-C 3.59Å; K78-T84 WeakPolarHBondContact O-CA 3.46Å; Q79-T84 HydrophobicContact CB-CG2 4.42Å; Q79-T84 VanDerWaalsContact CD-OG1 3.29Å; Q79-T84 WeakPolarHBondContact CG-OG1 3.3Å; Q79-T84 PolarHBondContact OE1-OG1 3.04Å; T84-L86 HydrophobicContact CG2-CD2 4.24Å; T84-H97 PolarHBondContact N-O 2.86Å; T84-H97 PolarHBondContact O-N 3.27Å
85	L	98.7	Very high	97.7	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.8	166.6	-63.9	-171.3	0	0	0	110.1	W56 I69 D70 I71 R77 K78 S95 L96	W56-L85 HydrophobicContact CD2-CD2 4.38Å; W56-L85 HydrophobicContact CG-CD2 4.07Å; I69-L85 HydrophobicContact CB-CD1 4.34Å; I69-L85 HydrophobicContact CD1-CD1 4.3Å; I69-L85 HydrophobicContact CD1-CG 4.03Å; I69-L85 HydrophobicContact CG1-CD1 3.78Å; I69-L85 HydrophobicContact CG1-CG 4.03Å; I69-L85 HydrophobicContact CG2-CD1 3.86Å; I69-L85 HydrophobicContact CG2-CD2 3.97Å; I69-L85 HydrophobicContact CG2-CG 3.85Å; D70-L85 VanDerWaalsContact C-CD1 3.45Å; I71-L85 HydrophobicContact CB-CB 4.35Å; I71-L85 HydrophobicContact CB-CD1 3.86Å; I71-L85 HydrophobicContact CD1-CB 4.3Å; I71-L85 HydrophobicContact CG2-CB 4.46Å; I71-L85 HydrophobicContact CG2-CD1 3.97Å; R77-L85 VanDerWaalsContact CA-O 3.3Å; R77-L85 WeakPolarHBondContact CA-O 3.35Å; K78-L85 PolarHBondContact N-O 3.37Å; K78-L85 PolarHBondContact O-N 3.37Å; L85-S95 VanDerWaalsContact CA-O 3.3Å; L85-S95 WeakPolarHBondContact CA-O 3.28Å; L85-L96 HydrophobicContact CD2-CB 3.89Å; L85-L96 HydrophobicContact CD2-CD1 3.59Å; L85-L96 HydrophobicContact CD2-CG 4.33Å
86	L	98.5	Very high	97.7	Very high	64 Å²	64	72.4 Å²	72.4	34%	0.335	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136	166.1	-56.4	172.7	0	0	0	108.6	E76 R77 T84 L94 S95	E76-L86 WeakPolarHBondContact O-CA 3.31Å; R77-L86 HydrophobicContact CB-CD2 4.18Å; R77-L86 HydrophobicContact CG-CD2 3.98Å; T84-L86 HydrophobicContact CG2-CD2 4.24Å; L86-L94 CarbonylContact O-C 3.58Å; L86-L94 VanDerWaalsContact O-CA 3.31Å; L86-L94 WeakPolarHBondContact O-CA 3.1Å; L86-S95 WeakPolarHBondContact CB-OG 3.44Å; L86-S95 PolarHBondContact N-O 2.86Å; L86-S95 PolarHBondContact O-N 3.42Å
87	F	98.5	Very high	97.7	Very high	12 Å²	12	67.3 Å²	67.3	5%	0.053	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.4	-178.6	176.5	-118.5	0	0	0	110.6	Y46 F54 I71 M75 E76 K89 L94	Y46-F87 AromaticContact CE1-CE2 3.79Å; Y46-F87 HydrophobicContact CE1-CE2 3.79Å; Y46-F87 AromaticContact CZ-CE2 3.98Å; Y46-F87 WeakPolarHBondContact OH-CE2 3.48Å; Y46-F87 WeakPolarHBondContact OH-CZ 3.22Å; F54-F87 HydrophobicContact CD2-CD2 4.43Å; F54-F87 HydrophobicContact CD2-CE2 4.03Å; F54-F87 HydrophobicContact CD2-CZ 4.22Å; F54-F87 HydrophobicContact CE1-CE2 4.12Å; F54-F87 HydrophobicContact CE2-CD2 4.35Å; F54-F87 HydrophobicContact CE2-CE1 4.14Å; F54-F87 AromaticContact CE2-CE2 3.55Å; F54-F87 HydrophobicContact CE2-CE2 3.55Å; F54-F87 AromaticContact CE2-CZ 3.41Å; F54-F87 HydrophobicContact CE2-CZ 3.41Å; F54-F87 VanDerWaalsContact CE2-CZ 3.41Å; F54-F87 AromaticContact CZ-CE2 3.6Å; F54-F87 HydrophobicContact CZ-CE2 3.6Å; F54-F87 AromaticContact CZ-CZ 3.62Å; F54-F87 HydrophobicContact CZ-CZ 3.62Å; I71-F87 HydrophobicContact CD1-CB 3.82Å; I71-F87 HydrophobicContact CG1-CB 4.4Å; I71-F87 HydrophobicContact CG2-CB 4.12Å; M75-F87 VanDerWaalsContact O-CD1 3.26Å; M75-F87 WeakPolarHBondContact O-CD1 3.3Å; E76-F87 PolarHBondContact O-N 3.2Å; F87-K89 HydrophobicContact CD1-CB 4.43Å; F87-K89 HydrophobicContact CE1-CB 3.56Å; F87-K89 HydrophobicContact CE1-CD 4.46Å; F87-K89 HydrophobicContact CE1-CG 4.11Å; F87-K89 HydrophobicContact CZ-CB 3.74Å; F87-K89 HydrophobicContact CZ-CG 4.01Å; F87-L94 HydrophobicContact CB-CD2 4.43Å; F87-L94 HydrophobicContact CD2-CD2 3.4Å; F87-L94 HydrophobicContact CD2-CG 3.67Å; F87-L94 HydrophobicContact CE2-CD2 3.96Å; F87-L94 HydrophobicContact CE2-CG 4.13Å; F87-L94 HydrophobicContact CG-CD2 4.26Å
88	D	97.5	Very high	97.7	Very high	69 Å²	69	59.8 Å²	59.8	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	102	169.9	-179.9	-9.5	0	0	0	109.1	K90 T91 K92 H93	D88-K90 VanDerWaalsContact C-N 3.27Å; D88-K90 PolarHBondContact O-N 2.94Å; D88-K90 WeakPolarHBondContact OD1-CA 3.3Å; D88-K90 WeakPolarHBondContact OD1-CB 3.46Å; D88-K90 PolarHBondContact OD1-N 3.3Å; D88-T91 WeakPolarHBondContact CB-OG1 3.35Å; D88-T91 PolarHBondContact OD1-N 3.15Å; D88-T91 VanDerWaalsContact OD1-N 3.15Å; D88-T91 VanDerWaalsContact OD2-CG2 3.23Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.35Å; D88-T91 PolarHBondContact OD2-OG1 3.46Å; D88-K92 WeakPolarHBondContact O-CA 3.5Å; D88-K92 PolarHBondContact O-N 3.21Å; D88-H93 PolarHBondContact N-O 2.99Å; D88-H93 PolarHBondContact O-N 3.1Å
89	K	95.8	Very high	97.7	Very high	113 Å²	113	58.5 Å²	58.5	49%	0.491	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.7	179	-168.6	172.5	-178.1	171.4	0	112.9	F87	F87-K89 HydrophobicContact CD1-CB 4.43Å; F87-K89 HydrophobicContact CE1-CB 3.56Å; F87-K89 HydrophobicContact CE1-CD 4.46Å; F87-K89 HydrophobicContact CE1-CG 4.11Å; F87-K89 HydrophobicContact CZ-CB 3.74Å; F87-K89 HydrophobicContact CZ-CG 4.01Å
90	K	95.6	Very high	97.7	Very high	195 Å²	195	55.3 Å²	55.3	85%	0.848	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-42.4	-174.7	-177.5	-176.7	177.6	-175.5	0	110.3	D88	D88-K90 VanDerWaalsContact C-N 3.27Å; D88-K90 PolarHBondContact O-N 2.94Å; D88-K90 WeakPolarHBondContact OD1-CA 3.3Å; D88-K90 WeakPolarHBondContact OD1-CB 3.46Å; D88-K90 PolarHBondContact OD1-N 3.3Å
91	T	96.8	Very high	97.7	Very high	72 Å²	72	53 Å²	53	44%	0.442	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.3	178.9	63.6	0	0	0	0	113	D88 H93	D88-T91 WeakPolarHBondContact CB-OG1 3.35Å; D88-T91 PolarHBondContact OD1-N 3.15Å; D88-T91 VanDerWaalsContact OD1-N 3.15Å; D88-T91 VanDerWaalsContact OD2-CG2 3.23Å; D88-T91 WeakPolarHBondContact OD2-CG2 3.35Å; D88-T91 PolarHBondContact OD2-OG1 3.46Å; T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 PolarHBondContact O-CD2 3Å; T91-H93 PolarHBondContact O-N 3.11Å
92	K	96.9	Very high	97.8	Very high	54 Å²	54	49.4 Å²	49.4	24%	0.235	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	42.5	-176.3	-58.6	-175.3	178.8	-178.9	0	112.6	S45 Y46 T47 S49 D88	S45-K92 WeakPolarHBondContact CA-O 3.28Å; Y46-K92 HydrophobicContact CD1-CB 3.84Å; Y46-K92 WeakPolarHBondContact CD1-O 2.88Å; Y46-K92 HydrophobicContact CE1-CB 3.53Å; Y46-K92 HydrophobicContact CE1-CG 4.18Å; Y46-K92 WeakPolarHBondContact CE1-O 3.36Å; Y46-K92 HydrophobicContact CE2-CB 4.33Å; Y46-K92 HydrophobicContact CE2-CD 4.37Å; Y46-K92 HydrophobicContact CE2-CG 4.26Å; Y46-K92 HydrophobicContact CG-CB 4.34Å; Y46-K92 PolarHBondContact N-O 2.78Å; Y46-K92 VanDerWaalsContact O-CB 3.29Å; Y46-K92 WeakPolarHBondContact O-CB 3.39Å; Y46-K92 VanDerWaalsContact O-CD 3.3Å; Y46-K92 WeakPolarHBondContact O-CD 3.27Å; T47-K92 PolarHBondContact O-NZ 2.88Å; S49-K92 WeakPolarHBondContact OG-CE 3.42Å; S49-K92 PolarHBondContact OG-NZ 3.46Å; D88-K92 WeakPolarHBondContact O-CA 3.5Å; D88-K92 PolarHBondContact O-N 3.21Å
93	H	98	Very high	97.8	Very high	87 Å²	87	51 Å²	51	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	178.9	-81.9	-79.5	0	0	0	111.9	C44 D88 T91	C44-H93 WeakPolarHBondContact O-CA 3.46Å; D88-H93 PolarHBondContact N-O 2.99Å; D88-H93 PolarHBondContact O-N 3.1Å; T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 PolarHBondContact O-CD2 3Å; T91-H93 PolarHBondContact O-N 3.11Å
94	L	97.7	Very high	97.7	Very high	3 Å²	3	52 Å²	52	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.9	173.5	-58.4	120	0	0	0	107.8	C44 Y46 F54 W56 I71 L86 F87	C44-L94 HydrophobicContact CB-CB 4.12Å; C44-L94 PolarHBondContact N-O 2.83Å; C44-L94 PolarHBondContact O-N 2.76Å; C44-L94 VanDerWaalsContact O-O 3.06Å; Y46-L94 HydrophobicContact CD1-CD1 3.52Å; Y46-L94 HydrophobicContact CE1-CD1 3.87Å; Y46-L94 HydrophobicContact CG-CD1 4.47Å; F54-L94 HydrophobicContact CB-CD2 3.38Å; F54-L94 HydrophobicContact CD1-CD1 3.68Å; F54-L94 HydrophobicContact CD1-CD2 3.73Å; F54-L94 HydrophobicContact CD1-CG 4.3Å; F54-L94 HydrophobicContact CD2-CD2 4.06Å; F54-L94 HydrophobicContact CE1-CD1 4.16Å; F54-L94 HydrophobicContact CG-CD1 4.3Å; F54-L94 HydrophobicContact CG-CD2 3.45Å; F54-L94 VanDerWaalsContact CG-CD2 3.45Å; F54-L94 HydrophobicContact CG-CG 4.48Å; W56-L94 HydrophobicContact CZ2-CB 4.43Å; I71-L94 HydrophobicContact CG2-CD2 3.86Å; L86-L94 CarbonylContact O-C 3.58Å; L86-L94 VanDerWaalsContact O-CA 3.31Å; L86-L94 WeakPolarHBondContact O-CA 3.1Å; F87-L94 HydrophobicContact CB-CD2 4.43Å; F87-L94 HydrophobicContact CD2-CD2 3.4Å; F87-L94 HydrophobicContact CD2-CG 3.67Å; F87-L94 HydrophobicContact CE2-CD2 3.96Å; F87-L94 HydrophobicContact CE2-CG 4.13Å; F87-L94 HydrophobicContact CG-CD2 4.26Å
95	S	98.4	Very high	97.6	Very high	13 Å²	13	52.5 Å²	52.5	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.3	167.5	58.7	0	0	0	0	111.4	I42 L85 L86	I42-S95 CarbonylContact O-C 3.55Å; I42-S95 VanDerWaalsContact O-CA 3.22Å; I42-S95 WeakPolarHBondContact O-CA 3.49Å; L85-S95 VanDerWaalsContact CA-O 3.3Å; L85-S95 WeakPolarHBondContact CA-O 3.28Å; L86-S95 WeakPolarHBondContact CB-OG 3.44Å; L86-S95 PolarHBondContact N-O 2.86Å; L86-S95 PolarHBondContact O-N 3.42Å
96	L	98.7	Very high	97.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.5	168.8	172.9	63.4	0	0	0	108.4	L41 I42 W56 I68 I69 L83 L85 I98 Y109	L41-L96 WeakPolarHBondContact CA-O 3.23Å; I42-L96 HydrophobicContact CB-CB 4.48Å; I42-L96 HydrophobicContact CD1-CD2 4.47Å; I42-L96 PolarHBondContact N-O 2.97Å; I42-L96 PolarHBondContact O-N 3.02Å; W56-L96 HydrophobicContact CD2-CB 3.92Å; W56-L96 HydrophobicContact CD2-CD2 4.08Å; W56-L96 HydrophobicContact CE3-CB 3.81Å; W56-L96 HydrophobicContact CE3-CD2 3.56Å; W56-L96 HydrophobicContact CE3-CG 4.31Å; W56-L96 HydrophobicContact CH2-CB 3.69Å; W56-L96 HydrophobicContact CZ2-CB 3.82Å; W56-L96 HydrophobicContact CZ3-CB 3.7Å; W56-L96 HydrophobicContact CZ3-CD2 3.96Å; W56-L96 HydrophobicContact CZ3-CG 4.49Å; I68-L96 HydrophobicContact CD1-CD2 4Å; I69-L96 HydrophobicContact CG2-CD1 4.29Å; L83-L96 HydrophobicContact CB-CD1 4.24Å; L83-L96 HydrophobicContact CD2-CD1 4.32Å; L85-L96 HydrophobicContact CD2-CB 3.89Å; L85-L96 HydrophobicContact CD2-CD1 3.59Å; L85-L96 HydrophobicContact CD2-CG 4.33Å; L96-I98 HydrophobicContact CD1-CG1 4.47Å; L96-I98 HydrophobicContact CD2-CD1 4.29Å; L96-I98 HydrophobicContact CD2-CG1 4.43Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; L96-Y109 HydrophobicContact CD2-CD1 3.68Å; L96-Y109 HydrophobicContact CD2-CE1 4.16Å; L96-Y109 HydrophobicContact CD2-CG 4.49Å
97	H	98.5	Very high	97.5	Very high	55 Å²	55	55 Å²	55	26%	0.255	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	174.4	-170.7	-129.4	0	0	0	109.8	S39 V40 L83 T84 T99	S39-H97 WeakPolarHBondContact CB-NE2 3.45Å; V40-H97 CarbonylContact O-C 3.54Å; V40-H97 VanDerWaalsContact O-CA 3.28Å; V40-H97 WeakPolarHBondContact O-CA 3.4Å; V40-H97 PolarHBondContact O-CD2 2.84Å; L83-H97 CarbonylContact C-O 3.49Å; L83-H97 WeakPolarHBondContact CA-O 3.29Å; T84-H97 PolarHBondContact N-O 2.86Å; T84-H97 PolarHBondContact O-N 3.27Å; H97-T99 VanDerWaalsContact CE1-CG2 3.44Å; H97-T99 WeakPolarHBondContact CE1-CG2 3.49Å
98	I	98.4	Very high	97.5	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117	177.8	-47.9	-175.4	0	0	0	107.3	S39 V40 R82 L83 L96 T101 Y109	S39-I98 CarbonylContact C-O 3.58Å; S39-I98 VanDerWaalsContact CA-O 3.28Å; S39-I98 WeakPolarHBondContact CA-O 3.38Å; V40-I98 HydrophobicContact CB-CB 4.31Å; V40-I98 PolarHBondContact N-O 2.03Å; V40-I98 PolarHBondContact O-N 2.85Å; R82-I98 WeakPolarHBondContact O-CA 3.39Å; L83-I98 HydrophobicContact CD2-CB 4.13Å; L83-I98 HydrophobicContact CD2-CD1 4.06Å; L83-I98 HydrophobicContact CD2-CG1 3.63Å; L83-I98 HydrophobicContact CD2-CG2 3.88Å; L96-I98 HydrophobicContact CD1-CG1 4.47Å; L96-I98 HydrophobicContact CD2-CD1 4.29Å; L96-I98 HydrophobicContact CD2-CG1 4.43Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; I98-T101 HydrophobicContact CB-CG2 4.49Å; I98-T101 HydrophobicContact CG2-CG2 4.08Å; I98-Y109 HydrophobicContact CD1-CD1 4.4Å; I98-Y109 HydrophobicContact CD1-CE1 3.68Å; I98-Y109 HydrophobicContact CD1-CE2 4.28Å
99	T	98.2	Very high	97.5	Very high	44 Å²	44	57.1 Å²	57.1	27%	0.27	32%	0.317	S	S	.	.			trans	-99.3	158.9	178.1	60	0	0	0	0	111.6	R82 H97 T101	R82-T99 WeakPolarHBondContact CB-O 3.35Å; R82-T99 WeakPolarHBondContact CD-O 3.4Å; R82-T99 PolarHBondContact NH1-O 3.14Å; R82-T99 PolarHBondContact O-N 2.98Å; R82-T99 PolarHBondContact O-OG1 3.26Å; H97-T99 VanDerWaalsContact CE1-CG2 3.44Å; H97-T99 WeakPolarHBondContact CE1-CG2 3.49Å; T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 2.97Å
100	A	97.8	Very high	97.6	Very high	52 Å²	52	55.4 Å²	55.4	43%	0.43	31%	0.31	S	S	.	.	S	Bend	trans	46.4	56.1	178	0	0	0	0	0	111.3	R82 Q102	R82-A100 PolarHBondContact NH1-O 3.35Å; R82-A100 VanDerWaalsContact NH1-O 3.08Å; A100-Q102 WeakPolarHBondContact O-CG 3.4Å
101	T	98	Very high	97.7	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.049	27%	0.274	C	S	.	.			trans	-55.6	142.9	-175.1	43.4	0	0	0	0	112	V34 Q35 E36 G37 A38 V40 I98 T99 D105	V34-T101 HydrophobicContact CG2-CG2 4.32Å; Q35-T101 PolarHBondContact O-OG1 2.6Å; E36-T101 WeakPolarHBondContact CG-O 3.28Å; G37-T101 PolarHBondContact N-O 2.77Å; A38-T101 PolarHBondContact N-OG1 2.94Å; A38-T101 WeakPolarHBondContact O-CB 3.12Å; A38-T101 WeakPolarHBondContact O-CG2 3.26Å; A38-T101 PolarHBondContact O-N 3.11Å; A38-T101 PolarHBondContact O-OG1 3.33Å; V40-T101 HydrophobicContact CB-CG2 4.38Å; V40-T101 HydrophobicContact CG2-CG2 3.65Å; I98-T101 HydrophobicContact CB-CG2 4.49Å; I98-T101 HydrophobicContact CG2-CG2 4.08Å; T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 2.97Å; T101-D105 WeakPolarHBondContact CA-OD2 2.99Å
102	Q	97.8	Very high	97.7	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.463	27%	0.267	S	S	.	.			trans	-121.2	158.2	-178	-45.5	-176.6	25.2	0	0	109.2	A100 G104 D105	A100-Q102 WeakPolarHBondContact O-CG 3.4Å; Q102-G104 PolarHBondContact O-N 2.72Å; Q102-G104 VanDerWaalsContact O-N 3.07Å; Q102-D105 PolarHBondContact N-OD2 3.46Å; Q102-D105 WeakPolarHBondContact O-CB 3.41Å; Q102-D105 PolarHBondContact O-N 3.49Å
103	P	96.6	Very high	97.7	Very high	89 Å²	89	43.1 Å²	43.1	58%	0.578	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-52.1	-35.1	174.3	-29	36.3	0	0	0	113.3	D105 S106	P103-D105 PolarHBondContact O-N 3.07Å; P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 2.93Å; P103-S106 PolarHBondContact O-OG 2.85Å
104	G	95.8	Very high	97.4	Very high	45 Å²	45	42.7 Å²	42.7	46%	0.464	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-66.8	-11.8	175.7	0	0	0	0	0	115.4	K58 Q102 S106	K58-G104 PolarHBondContact NZ-O 3.28Å; Q102-G104 PolarHBondContact O-N 2.72Å; Q102-G104 VanDerWaalsContact O-N 3.07Å; G104-S106 VanDerWaalsContact C-N 3.26Å
105	D	97.2	Very high	97.4	Very high	24 Å²	24	44.7 Å²	44.7	13%	0.128	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-80.2	-7.8	173.5	-63.3	-36.7	0	0	0	112.6	R82 T101 Q102 P103 A107 Y109	R82-D105 IonicContact CZ-OD1 2.77Å; R82-D105 IonicContact CZ-OD2 3.06Å; R82-D105 VanDerWaalsContact CZ-OD2 3.32Å; R82-D105 IonicContact NH1-OD1 2.78Å; R82-D105 IonicContact NH1-OD2 3.72Å; R82-D105 PolarHBondContact NH1-OD2 2.71Å; R82-D105 VanDerWaalsContact NH2-CG 3.32Å; R82-D105 IonicContact NH2-OD1 3.76Å; R82-D105 PolarHBondContact NH2-OD1 3.38Å; R82-D105 IonicContact NH2-OD2 2.71Å; R82-D105 PolarHBondContact NH2-OD2 2.8Å; T101-D105 WeakPolarHBondContact CA-OD2 2.99Å; Q102-D105 PolarHBondContact N-OD2 3.46Å; Q102-D105 WeakPolarHBondContact O-CB 3.41Å; Q102-D105 PolarHBondContact O-N 3.49Å; P103-D105 PolarHBondContact O-N 3.07Å; D105-A107 PolarHBondContact O-N 3.15Å; D105-Y109 WeakPolarHBondContact O-CE2 3.36Å; D105-Y109 PolarHBondContact O-OH 2.85Å; D105-Y109 VanDerWaalsContact O-OH 3.08Å
106	S	97.3	Very high	97.4	Very high	88 Å²	88	46.3 Å²	46.3	62%	0.615	29%	0.287	S	S	*	.			trans	-66	102.1	178.2	-55.3	0	0	0	0	111	P103 G104	P103-S106 WeakPolarHBondContact O-CB 3.4Å; P103-S106 PolarHBondContact O-N 2.93Å; P103-S106 PolarHBondContact O-OG 2.85Å; G104-S106 VanDerWaalsContact C-N 3.26Å
107	A	97.9	Very high	97.3	Very high	31 Å²	31	48.9 Å²	48.9	26%	0.256	30%	0.303	S	S	.	.	S	Bend	trans	-163.9	173.1	-175.5	0	0	0	0	0	111.3	K58 Q59 E60 D105 Y109	K58-A107 HydrophobicContact CD-CB 4.06Å; K58-A107 HydrophobicContact CG-CB 3.51Å; Q59-A107 WeakPolarHBondContact O-CB 3.28Å; E60-A107 HydrophobicContact CG-CB 4.22Å; D105-A107 PolarHBondContact O-N 3.15Å; A107-Y109 HydrophobicContact CB-CE2 4.01Å
108	I	98	Very high	97.2	Very high	99 Å²	99	48.5 Å²	48.5	51%	0.508	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.4	166.6	-52.8	174.8	0	0	0	108.1	K58 Q59 F110	K58-I108 CarbonylContact C-O 3.57Å; K58-I108 WeakPolarHBondContact CA-O 3.5Å; Q59-I108 PolarHBondContact N-O 3.23Å; Q59-I108 PolarHBondContact O-N 2.86Å; I108-F110 HydrophobicContact CB-CE2 3.92Å; I108-F110 HydrophobicContact CB-CZ 4.19Å; I108-F110 HydrophobicContact CG2-CD2 4.12Å; I108-F110 HydrophobicContact CG2-CE1 3.97Å; I108-F110 HydrophobicContact CG2-CE2 3.43Å; I108-F110 VanDerWaalsContact CG2-CE2 3.43Å; I108-F110 HydrophobicContact CG2-CZ 3.35Å
109	Y	98.2	Very high	97.2	Very high	26 Å²	26	51.4 Å²	51.4	10%	0.102	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.4	178	-71.2	-99.4	0	0	0	110.1	Q27 I42 Y57 K58 I68 L96 I98 D105 A107	Q27-Y109 PolarHBondContact NE2-O 2.67Å; I42-Y109 HydrophobicContact CD1-CD2 4.16Å; I42-Y109 HydrophobicContact CD1-CG 3.94Å; Y57-Y109 WeakPolarHBondContact O-CA 3.45Å; K58-Y109 HydrophobicContact CB-CD1 4.38Å; K58-Y109 HydrophobicContact CB-CE1 4.17Å; K58-Y109 HydrophobicContact CD-CE1 4.4Å; K58-Y109 HydrophobicContact CG-CE1 4.05Å; K58-Y109 HydrophobicContact CG-CE2 4.5Å; I68-Y109 HydrophobicContact CD1-CD1 3.82Å; I68-Y109 HydrophobicContact CD1-CE1 3.83Å; L96-Y109 HydrophobicContact CD2-CD1 3.68Å; L96-Y109 HydrophobicContact CD2-CE1 4.16Å; L96-Y109 HydrophobicContact CD2-CG 4.49Å; I98-Y109 HydrophobicContact CD1-CD1 4.4Å; I98-Y109 HydrophobicContact CD1-CE1 3.68Å; I98-Y109 HydrophobicContact CD1-CE2 4.28Å; D105-Y109 WeakPolarHBondContact O-CE2 3.36Å; D105-Y109 PolarHBondContact O-OH 2.85Å; D105-Y109 VanDerWaalsContact O-OH 3.08Å; A107-Y109 HydrophobicContact CB-CE2 4.01Å
110	F	97.8	Very high	97.1	Very high	77 Å²	77	51.9 Å²	51.9	34%	0.338	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.6	-179.5	-59	-88.8	0	0	0	109.5	W56 Y57 Q59 L65 I108	W56-F110 CarbonylContact C-O 3.54Å; W56-F110 WeakPolarHBondContact CA-O 3.49Å; Y57-F110 PolarHBondContact N-O 2.7Å; Y57-F110 PolarHBondContact O-N 3.34Å; Q59-F110 HydrophobicContact CB-CE2 3.92Å; L65-F110 HydrophobicContact CD1-CD2 3.48Å; L65-F110 VanDerWaalsContact CD1-CD2 3.48Å; L65-F110 HydrophobicContact CD1-CE2 3.82Å; L65-F110 HydrophobicContact CD1-CG 4.38Å; I108-F110 HydrophobicContact CB-CE2 3.92Å; I108-F110 HydrophobicContact CB-CZ 4.19Å; I108-F110 HydrophobicContact CG2-CD2 4.12Å; I108-F110 HydrophobicContact CG2-CE1 3.97Å; I108-F110 HydrophobicContact CG2-CE2 3.43Å; I108-F110 VanDerWaalsContact CG2-CE2 3.43Å; I108-F110 HydrophobicContact CG2-CZ 3.35Å
111	C	97.8	Very high	97.1	Very high	13 Å²	13	51.9 Å²	51.9	9%	0.088	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	160.4	164.9	69.1	0	0	0	0	110.3	V25 Q27 C44 W56	V25-C111 WeakPolarHBondContact CG1-SG 3.49Å; Q27-C111 HydrophobicContact CG-CB 4.5Å; Q27-C111 WeakPolarHBondContact CG-SG 3.28Å; Q27-C111 PolarHBondContact OE1-SG 2.87Å; C44-C111 HydrophobicContact CB-CB 3.66Å; C44-C111 WeakPolarHBondContact CB-SG 3.48Å; C44-C111 WeakPolarHBondContact SG-CB 3.15Å; C44-C111 CovalentContact SG-SG 2.03Å; C44-C111 PolarHBondContact SG-SG 2.94Å; W56-C111 HydrophobicContact CD2-CB 3.77Å; W56-C111 HydrophobicContact CE3-CB 3.87Å; W56-C111 HydrophobicContact CH2-CB 3.71Å; W56-C111 HydrophobicContact CZ2-CB 3.56Å; W56-C111 HydrophobicContact CZ3-CB 3.84Å
112	S	96.9	Very high	97	Very high	43 Å²	43	55.2 Å²	55.2	30%	0.301	34%	0.341	S	S	.	.			trans	-144.7	157.9	173.8	-174.7	0	0	0	0	110.1	F54 P55	F54-S112 VanDerWaalsContact CA-O 3.28Å; F54-S112 WeakPolarHBondContact CA-O 3.18Å; P55-S112 PolarHBondContact O-N 2.75Å; P55-S112 VanDerWaalsContact O-N 3.09Å
113	A	96.5	Very high	96.9	Very high	6 Å²	6	51.6 Å²	51.6	5%	0.05	33%	0.331	C	S	.	.			trans	-129.1	136.5	171.3	0	0	0	0	0	107.9	E23 V25 Y46 F54	E23-A113 WeakPolarHBondContact OE1-CB 3.46Å; V25-A113 HydrophobicContact CG2-CB 4.16Å; Y46-A113 HydrophobicContact CD2-CB 3.99Å; Y46-A113 HydrophobicContact CG-CB 3.96Å; F54-A113 HydrophobicContact CD1-CB 3.73Å; F54-A113 HydrophobicContact CE1-CB 3.7Å
114	S	93	Very high	96.9	Very high	78 Å²	78	48.2 Å²	48.2	55%	0.545	31%	0.309	S	S	.	.			trans	-159.1	0	-179.2	56.5	0	0	0	0	112.5	S51 V52 Y53	S51-S114 CarbonylContact C-O 3.39Å; S51-S114 VanDerWaalsContact CA-O 3.28Å; S51-S114 WeakPolarHBondContact CA-O 3.21Å; V52-S114 PolarHBondContact N-O 3.38Å; Y53-S114 PolarHBondContact N-O 2.9Å; Y53-S114 PolarHBondContact O-N 2.87Å; Y53-S114 PolarHBondContact O-OG 2.96Å; Y53-S114 VanDerWaalsContact O-OG 3.11Å

Retrieved 114 of 114 residues in 138.9 ms (Link to these results)

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