A0A075B621_MOUSE Loading...

T cell receptor alpha variable 6N-5

AlphaFold DB , UniProt , Accession A0A075B621, Species MOUSE (Mus musculus, Mouse), Gene Trav6n-5, Length 112 aa.

						>A0A075B621_MOUSE|A0A075B621|Trav6n-5
MNLCPELGILLFLMLFESNGDSVTQTEGPVTLSEGTSLTVNCSYETKQYPTLFWYVQYPGEGPQLLFKVPKANEKGSNRGFEATYNKEATSFHLQKASVQESDSAVYYCALG
					

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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	44.8	Very low	57.3	Low	231 Å²	231	125.3 Å²	125.3	100%	1.138	68%	0.675	S	S	*	*				0	93.9	0	-69.9	150.5	75.8	0	0	106.4	L3	M1-L3 PolarHBondContact O-N 3.23Å
2	N	48	Very low	57.4	Low	171 Å²	171	128 Å²	128	91%	0.914	68%	0.677	S	S	*	*			trans	-78.9	105.2	-178.3	-71.3	-22.8	0	0	0	107.8	C4	N2-C4 PolarHBondContact O-N 3.45Å
3	L	55.8	Low	57.9	Low	160 Å²	160	127.8 Å²	127.8	84%	0.838	68%	0.676	S	S	*	*			trans	-65.7	118.4	168.1	-82.6	137.2	0	0	0	107.3	M1	M1-L3 PolarHBondContact O-N 3.23Å
4	C	61	Low	58.3	Low	70 Å²	70	129.6 Å²	129.6	47%	0.473	68%	0.681	S	S	.	*			trans	-56.5	125.6	179.5	-166.9	0	0	0	0	108.6	N2 E6 L7 G8	N2-C4 PolarHBondContact O-N 3.45Å; C4-E6 PolarHBondContact O-N 3.02Å; C4-L7 PolarHBondContact O-N 2.69Å; C4-G8 PolarHBondContact O-N 3.13Å
5	P	59.9	Low	58.3	Low	96 Å²	96	129.9 Å²	129.9	62%	0.623	68%	0.683	S	S	*	*	H	α-helix	trans	-57.2	-26.9	-173.7	19.7	-31.2	0	0	0	112.9	G8 I9	P5-G8 PolarHBondContact O-N 2.85Å; P5-I9 WeakPolarHBondContact O-CG1 3.28Å; P5-I9 PolarHBondContact O-N 3.14Å; P5-I9 VanDerWaalsContact O-N 3.13Å
6	E	60.3	Low	58.3	Low	151 Å²	151	132.8 Å²	132.8	71%	0.706	69%	0.688	S	S	*	*	H	α-helix	trans	-69	-36	178.7	-54.7	-160	174.1	0	0	113.3	C4 G8 I9 L10	C4-E6 PolarHBondContact O-N 3.02Å; E6-G8 VanDerWaalsContact C-N 3.33Å; E6-I9 PolarHBondContact O-N 2.92Å; E6-L10 PolarHBondContact O-N 2.96Å
7	L	59.1	Low	58.3	Low	126 Å²	126	134.6 Å²	134.6	66%	0.66	69%	0.692	S	S	*	*	H	α-helix	trans	-70.1	-33.6	173.8	-105.7	119.1	0	0	0	111.6	C4 L10 L11	C4-L7 PolarHBondContact O-N 2.69Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 2.93Å
8	G	58.9	Low	58.5	Low	27 Å²	27	132.6 Å²	132.6	28%	0.278	69%	0.692	S	S	.	*	H	α-helix	trans	-61.7	-46.8	175	0	0	0	0	0	111.6	C4 P5 E6 L10 L11 F12	C4-G8 PolarHBondContact O-N 3.13Å; P5-G8 PolarHBondContact O-N 2.85Å; E6-G8 VanDerWaalsContact C-N 3.33Å; G8-L10 PolarHBondContact O-N 2.8Å; G8-L11 PolarHBondContact O-N 3.08Å; G8-F12 VanDerWaalsContact O-CD2 3.25Å; G8-F12 WeakPolarHBondContact O-CD2 3.4Å; G8-F12 PolarHBondContact O-N 2.77Å
9	I	61.7	Low	59	Low	109 Å²	109	131.6 Å²	131.6	56%	0.559	69%	0.688	S	S	*	*	H	α-helix	trans	-61.8	-44.2	179.2	-66.3	165.8	0	0	0	111.1	P5 E6 L11 F12 L13	P5-I9 WeakPolarHBondContact O-CG1 3.28Å; P5-I9 PolarHBondContact O-N 3.14Å; P5-I9 VanDerWaalsContact O-N 3.13Å; E6-I9 PolarHBondContact O-N 2.92Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.27Å; I9-F12 PolarHBondContact O-N 3.18Å; I9-L13 HydrophobicContact CG2-CD1 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.04Å; I9-L13 VanDerWaalsContact O-N 3.14Å
10	L	59.9	Low	60.2	Low	122 Å²	122	127.5 Å²	127.5	64%	0.639	68%	0.679	S	S	*	*	H	α-helix	trans	-63.6	-38.8	178.2	-142.8	81.3	0	0	0	111.8	E6 L7 G8 L13 M14	E6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 3.34Å; G8-L10 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 2.81Å; L10-M14 WeakPolarHBondContact O-CG 3.24Å; L10-M14 PolarHBondContact O-N 2.98Å
11	L	60.8	Low	61.8	Low	115 Å²	115	125 Å²	125	60%	0.602	67%	0.666	S	S	*	*	H	α-helix	trans	-69	-36.8	177.3	-160.9	75.2	0	0	0	112.2	L7 G8 I9 M14 L15	L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 2.93Å; G8-L11 PolarHBondContact O-N 3.08Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.27Å; L11-M14 PolarHBondContact O-N 3.5Å; L11-L15 PolarHBondContact O-N 3.11Å
12	F	58.8	Low	64.2	Low	158 Å²	158	116.2 Å²	116.2	69%	0.693	63%	0.627	S	S	*	*	H	α-helix	trans	-65	-37.4	174.9	-91.4	-74.4	0	0	0	112.6	G8 I9 M14 L15	G8-F12 VanDerWaalsContact O-CD2 3.25Å; G8-F12 WeakPolarHBondContact O-CD2 3.4Å; G8-F12 PolarHBondContact O-N 2.77Å; I9-F12 PolarHBondContact O-N 3.18Å; F12-M14 VanDerWaalsContact C-N 3.33Å; F12-L15 PolarHBondContact O-N 3.44Å
13	L	63.2	Low	66.6	Low	126 Å²	126	110.5 Å²	110.5	66%	0.66	60%	0.598	S	S	*	*	H	α-helix	trans	-67.7	-33.1	176.2	-69.6	171.7	0	0	0	112.4	I9 L10 L15 F16	I9-L13 HydrophobicContact CG2-CD1 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.41Å; I9-L13 PolarHBondContact O-N 3.04Å; I9-L13 VanDerWaalsContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 2.81Å; L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 2.9Å; L13-F16 PolarHBondContact O-N 2.9Å
14	M	64.5	Low	68.5	Low	152 Å²	152	106.1 Å²	106.1	75%	0.749	58%	0.578	S	S	*	*	H	α-helix	trans	-71.9	-20.9	179	-64.5	-102.3	-74.8	0	0	113.4	L10 L11 F12	L10-M14 WeakPolarHBondContact O-CG 3.24Å; L10-M14 PolarHBondContact O-N 2.98Å; L11-M14 PolarHBondContact O-N 3.5Å; F12-M14 VanDerWaalsContact C-N 3.33Å
15	L	57.6	Low	70.3	Confident	135 Å²	135	105.9 Å²	105.9	71%	0.707	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-5	179	-66.8	173	0	0	0	113.3	L11 F12 L13 E17	L11-L15 PolarHBondContact O-N 3.11Å; F12-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 2.9Å; L15-E17 PolarHBondContact O-N 2.85Å; L15-E17 VanDerWaalsContact O-N 3.08Å
16	F	58.7	Low	71.6	Confident	175 Å²	175	106 Å²	106	77%	0.768	57%	0.569	S	S	*	*			trans	-88.1	62.4	179.9	-140.3	-94.5	0	0	0	110.5	L13 S18	L13-F16 PolarHBondContact O-N 2.9Å; F16-S18 VanDerWaalsContact C-N 3.32Å; F16-S18 PolarHBondContact O-N 2.68Å
17	E	57.4	Low	72.7	Confident	164 Å²	164	101.3 Å²	101.3	77%	0.766	55%	0.547	S	S	*	.			trans	-64.6	96.8	163.7	-78.8	-180	178	0	0	107.7	L15 N19	L15-E17 PolarHBondContact O-N 2.85Å; L15-E17 VanDerWaalsContact O-N 3.08Å; E17-N19 PolarHBondContact O-N 2.81Å; E17-N19 PolarHBondContact O-ND2 2.76Å; E17-N19 VanDerWaalsContact O-ND2 3.11Å
18	S	62.2	Low	74	Confident	98 Å²	98	97.8 Å²	97.8	69%	0.685	54%	0.541	S	S	*	.			trans	-66	109.6	176.5	72	0	0	0	0	108	F16 G20	F16-S18 VanDerWaalsContact C-N 3.32Å; F16-S18 PolarHBondContact O-N 2.68Å; S18-G20 PolarHBondContact O-N 3.15Å
19	N	67.5	Low	75.5	Confident	115 Å²	115	103.4 Å²	103.4	62%	0.615	57%	0.573	S	S	*	*			trans	-75.1	47.2	173.3	-75.8	-97.5	0	0	0	110.5	E17 K47	E17-N19 PolarHBondContact O-N 2.81Å; E17-N19 PolarHBondContact O-ND2 2.76Å; E17-N19 VanDerWaalsContact O-ND2 3.11Å; N19-K47 PolarHBondContact OD1-NZ 2.93Å
20	G	84.1	Confident	77	Confident	49 Å²	49	102.2 Å²	102.2	51%	0.505	57%	0.57	S	S	.	*			trans	-83.1	161.1	-178	0	0	0	0	0	111.6	S18	S18-G20 PolarHBondContact O-N 3.15Å
21	D	93.2	Very high	78.6	Confident	76 Å²	76	103.2 Å²	103.2	41%	0.406	58%	0.582	S	S	.	*			trans	-75.5	144.2	169.4	-57.9	-33.9	0	0	0	109.8	E45 T46 L111	D21-E45 CarbonylContact C-O 3.58Å; D21-E45 VanDerWaalsContact CA-O 3.25Å; D21-E45 WeakPolarHBondContact CA-O 3.36Å; D21-T46 VanDerWaalsContact OD1-CA 3.24Å; D21-T46 WeakPolarHBondContact OD1-CA 3.43Å; D21-T46 WeakPolarHBondContact OD1-CB 3.3Å; D21-T46 PolarHBondContact OD1-OG1 3.47Å; D21-T46 PolarHBondContact OD2-OG1 3.5Å; D21-L111 HydrophobicContact CB-CD1 3.35Å; D21-L111 HydrophobicContact CB-CD2 3.99Å; D21-L111 HydrophobicContact CB-CG 4.27Å
22	S	95.9	Very high	80.3	Confident	46 Å²	46	101.5 Å²	101.5	32%	0.322	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-143	157.8	-178.6	75.9	0	0	0	0	112.6	Y44 E45 L111	S22-Y44 CarbonylContact O-C 3.51Å; S22-Y44 VanDerWaalsContact O-CA 3.23Å; S22-Y44 WeakPolarHBondContact O-CA 3.4Å; S22-E45 PolarHBondContact N-O 2.83Å; S22-E45 PolarHBondContact O-N 3.29Å; S22-L111 WeakPolarHBondContact O-CD2 3.33Å
23	V	97.2	Very high	82.1	Confident	50 Å²	50	98.2 Å²	98.2	30%	0.303	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.3	143.7	169.4	-66.8	0	0	0	0	108.7	S43 C109 L111	V23-S43 CarbonylContact C-O 3.56Å; V23-S43 VanDerWaalsContact CA-O 3.31Å; V23-S43 WeakPolarHBondContact CA-O 3.44Å; V23-C109 WeakPolarHBondContact CG2-O 3.39Å; V23-L111 HydrophobicContact CG1-CB 4.2Å; V23-L111 HydrophobicContact CG1-CD2 3.72Å; V23-L111 HydrophobicContact CG1-CG 4.02Å
24	T	97.4	Very high	83.7	Confident	68 Å²	68	99.1 Å²	99.1	42%	0.417	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	121.3	176	-61	0	0	0	0	109.5	C42 S43	T24-C42 WeakPolarHBondContact O-CA 2.91Å; T24-S43 PolarHBondContact N-O 3.28Å; T24-S43 PolarHBondContact O-N 2.81Å
25	Q	97.1	Very high	85.3	Confident	65 Å²	65	94 Å²	94	30%	0.304	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	170.8	-66.2	180	-112.1	0	0	108.6	N41 C42 Y107 C109	Q25-N41 WeakPolarHBondContact CA-O 3.46Å; Q25-C42 HydrophobicContact CG-CB 4.44Å; Q25-Y107 PolarHBondContact NE2-O 2.69Å; Q25-C109 HydrophobicContact CG-CB 3.9Å
26	T	88.6	Confident	87.2	Confident	98 Å²	98	90.2 Å²	90.2	60%	0.601	54%	0.539	S	S	*	.			trans	-93.1	-21.3	-173.7	47.4	0	0	0	0	113.3	N41	T26-N41 WeakPolarHBondContact OG1-CB 3.44Å
27	E	82.3	Confident	89	Confident	54 Å²	54	85.8 Å²	85.8	25%	0.252	53%	0.529	S	S	.	.			trans	-82.1	126.9	-178.2	-61.9	66.2	-139.2	0	0	110.3	V30 V40 N41	E27-V30 HydrophobicContact CB-CG1 4.38Å; E27-V40 HydrophobicContact CB-CG1 4.5Å; E27-V40 WeakPolarHBondContact OE2-CG1 3.17Å; E27-N41 VanDerWaalsContact OE1-CB 3.27Å; E27-N41 WeakPolarHBondContact OE1-CB 3.45Å; E27-N41 VanDerWaalsContact OE1-CG 3.3Å; E27-N41 PolarHBondContact OE1-N 2.91Å; E27-N41 PolarHBondContact OE1-ND2 2.85Å; E27-N41 PolarHBondContact OE2-N 3.01Å
28	G	87.3	Confident	90.9	Very high	52 Å²	52	78.9 Å²	78.9	54%	0.536	50%	0.498	S	S	.	.			trans	-77.2	-160.2	161.6	0	0	0	0	0	111.5	V30	G28-V30 PolarHBondContact O-N 2.97Å
29	P	90.7	Very high	92.6	Very high	144 Å²	144	77.4 Å²	77.4	94%	0.935	49%	0.485	S	S	*	.	S	Bend	trans	-55.9	127.3	169.5	-22.4	33.6	0	0	0	110.8
30	V	91.9	Very high	94	Very high	84 Å²	84	72.6 Å²	72.6	51%	0.509	46%	0.459	S	S	.	.			trans	-118.9	145.3	176.9	-66	0	0	0	0	110.2	E27 G28 L38	E27-V30 HydrophobicContact CB-CG1 4.38Å; G28-V30 PolarHBondContact O-N 2.97Å; V30-L38 HydrophobicContact CG2-CD1 4.41Å
31	T	94.9	Very high	94.7	Very high	143 Å²	143	72.9 Å²	72.9	88%	0.877	45%	0.449	S	S	*	.			trans	-125.8	122.3	172.7	-53.3	0	0	0	0	107.7
32	L	94.7	Very high	94.9	Very high	80 Å²	80	69.2 Å²	69.2	42%	0.419	43%	0.43	S	S	.	.			trans	-126.2	151	-175.3	-60.8	176.9	0	0	0	109.5	T36 L38 V99	L32-T36 HydrophobicContact CD2-CG2 4.44Å; L32-L38 HydrophobicContact CD1-CB 3.93Å; L32-L38 HydrophobicContact CD1-CD1 3.68Å; L32-L38 HydrophobicContact CD1-CG 4.34Å; L32-V99 HydrophobicContact CB-CG2 4.17Å; L32-V99 HydrophobicContact CD1-CG1 4.46Å
33	S	97	Very high	95	Very high	89 Å²	89	69.2 Å²	69.2	62%	0.622	43%	0.43	S	S	*	.			trans	-74.7	145.5	169.4	-59	0	0	0	0	110.2	G35 T36 V99	S33-G35 PolarHBondContact O-N 3.4Å; S33-T36 WeakPolarHBondContact O-CB 3.48Å; S33-T36 PolarHBondContact O-N 2.85Å; S33-T36 VanDerWaalsContact O-N 3.11Å; S33-T36 PolarHBondContact O-OG1 3.35Å; S33-V99 WeakPolarHBondContact O-CG2 3.1Å
34	E	97.1	Very high	95	Very high	145 Å²	145	67.2 Å²	67.2	68%	0.678	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	140.3	171.6	-173	170.8	165.3	0	0	111	T36 V99	E34-T36 VanDerWaalsContact C-N 3.29Å; E34-T36 PolarHBondContact O-N 2.86Å; E34-V99 WeakPolarHBondContact CA-O 3.49Å; E34-V99 WeakPolarHBondContact CG-O 3.4Å
35	G	97.6	Very high	95	Very high	44 Å²	44	70.2 Å²	70.2	45%	0.454	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-13.6	-175.6	0	0	0	0	0	115.2	S33 S98 V99	S33-G35 PolarHBondContact O-N 3.4Å; G35-S98 WeakPolarHBondContact CA-OG 3.18Å; G35-V99 PolarHBondContact N-O 3.1Å
36	T	97.9	Very high	94.9	Very high	55 Å²	55	68.8 Å²	68.8	34%	0.337	42%	0.422	S	S	.	.			trans	-72.5	144.8	178.9	-50.3	0	0	0	0	110.6	L32 S33 E34 V99	L32-T36 HydrophobicContact CD2-CG2 4.44Å; S33-T36 WeakPolarHBondContact O-CB 3.48Å; S33-T36 PolarHBondContact O-N 2.85Å; S33-T36 VanDerWaalsContact O-N 3.11Å; S33-T36 PolarHBondContact O-OG1 3.35Å; E34-T36 VanDerWaalsContact C-N 3.29Å; E34-T36 PolarHBondContact O-N 2.86Å; T36-V99 WeakPolarHBondContact O-CG2 3.24Å; T36-V99 PolarHBondContact O-N 2.98Å
37	S	97.7	Very high	95	Very high	82 Å²	82	71.9 Å²	71.9	57%	0.573	43%	0.427	S	S	*	.			trans	-76.3	136.9	171.2	61.9	0	0	0	0	111	K96 A97	S37-K96 CarbonylContact C-O 3.5Å; S37-K96 WeakPolarHBondContact CA-O 3.46Å; S37-A97 WeakPolarHBondContact CA-O 2.99Å
38	L	96.3	Very high	95.4	Very high	20 Å²	20	76.3 Å²	76.3	11%	0.105	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139	177.2	169.1	68.6	0	0	0	110.1	V30 L32 V40 F81 Q95 K96 V99	V30-L38 HydrophobicContact CG2-CD1 4.41Å; L32-L38 HydrophobicContact CD1-CB 3.93Å; L32-L38 HydrophobicContact CD1-CD1 3.68Å; L32-L38 HydrophobicContact CD1-CG 4.34Å; L38-V40 HydrophobicContact CD1-CG2 3.88Å; L38-V40 HydrophobicContact CD2-CG2 4.14Å; L38-V40 HydrophobicContact CG-CG2 4.07Å; L38-F81 HydrophobicContact CD2-CE1 4.11Å; L38-Q95 CarbonylContact O-C 3.56Å; L38-Q95 VanDerWaalsContact O-CA 3.29Å; L38-Q95 WeakPolarHBondContact O-CA 3.35Å; L38-K96 HydrophobicContact CB-CB 4.44Å; L38-K96 PolarHBondContact N-O 2.99Å; L38-K96 PolarHBondContact O-N 2.89Å; L38-V99 HydrophobicContact CB-CG1 3.47Å; L38-V99 VanDerWaalsContact CB-CG1 3.47Å; L38-V99 HydrophobicContact CD2-CG1 4.08Å; L38-V99 HydrophobicContact CG-CG1 4.42Å
39	T	97.4	Very high	95.8	Very high	67 Å²	67	79.4 Å²	79.4	41%	0.411	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.5	162.7	-58.8	0	0	0	0	108.3	H93 L94 Q95	T39-H93 HydrophobicContact CG2-CB 4.2Å; T39-L94 CarbonylContact C-O 3.6Å; T39-L94 VanDerWaalsContact CA-O 3.28Å; T39-L94 WeakPolarHBondContact CA-O 3.3Å; T39-Q95 HydrophobicContact CG2-CG 4.14Å
40	V	97.5	Very high	96.1	Very high	13 Å²	13	72.9 Å²	72.9	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.9	168.3	-172.2	0	0	0	0	107.1	E27 L38 W54 H93 L94	E27-V40 HydrophobicContact CB-CG1 4.5Å; E27-V40 WeakPolarHBondContact OE2-CG1 3.17Å; L38-V40 HydrophobicContact CD1-CG2 3.88Å; L38-V40 HydrophobicContact CD2-CG2 4.14Å; L38-V40 HydrophobicContact CG-CG2 4.07Å; V40-W54 HydrophobicContact CB-CH2 4.08Å; V40-W54 HydrophobicContact CG1-CH2 3.76Å; V40-W54 HydrophobicContact CG1-CZ3 4.26Å; V40-H93 CarbonylContact O-C 3.5Å; V40-H93 VanDerWaalsContact O-CA 3.31Å; V40-H93 WeakPolarHBondContact O-CA 3.5Å; V40-L94 HydrophobicContact CB-CB 4.13Å; V40-L94 PolarHBondContact N-O 3.09Å; V40-L94 PolarHBondContact O-N 3.41Å
41	N	98.1	Very high	96.4	Very high	55 Å²	55	70.6 Å²	70.6	29%	0.294	39%	0.388	S	S	.	.			trans	-75.8	141.5	179.8	-61.4	-50.1	0	0	0	109.9	Q25 T26 E27	Q25-N41 WeakPolarHBondContact CA-O 3.46Å; T26-N41 WeakPolarHBondContact OG1-CB 3.44Å; E27-N41 VanDerWaalsContact OE1-CB 3.27Å; E27-N41 WeakPolarHBondContact OE1-CB 3.45Å; E27-N41 VanDerWaalsContact OE1-CG 3.3Å; E27-N41 PolarHBondContact OE1-N 2.91Å; E27-N41 PolarHBondContact OE1-ND2 2.85Å; E27-N41 PolarHBondContact OE2-N 3.01Å
42	C	98.4	Very high	96.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	121.4	173.2	175.7	0	0	0	0	107.5	T24 Q25 W54 S91 F92 H93 C109	T24-C42 WeakPolarHBondContact O-CA 2.91Å; Q25-C42 HydrophobicContact CG-CB 4.44Å; C42-W54 HydrophobicContact CB-CH2 4.05Å; C42-W54 HydrophobicContact CB-CZ2 3.62Å; C42-S91 WeakPolarHBondContact O-CA 3.2Å; C42-S91 WeakPolarHBondContact O-CB 3.27Å; C42-F92 PolarHBondContact O-N 3.04Å; C42-H93 PolarHBondContact N-ND1 3.04Å; C42-H93 PolarHBondContact O-CE1 3.13Å; C42-H93 PolarHBondContact O-ND1 3.49Å; C42-H93 VanDerWaalsContact O-ND1 3.1Å; C42-C109 HydrophobicContact CB-CB 3.56Å; C42-C109 WeakPolarHBondContact CB-SG 3.35Å; C42-C109 WeakPolarHBondContact SG-CB 3.03Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.37Å
43	S	98.2	Very high	96.7	Very high	45 Å²	45	61.6 Å²	61.6	32%	0.315	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	158.6	163.4	57.1	0	0	0	0	109.6	V23 T24 T90	V23-S43 CarbonylContact C-O 3.56Å; V23-S43 VanDerWaalsContact CA-O 3.31Å; V23-S43 WeakPolarHBondContact CA-O 3.44Å; T24-S43 PolarHBondContact N-O 3.28Å; T24-S43 PolarHBondContact O-N 2.81Å; S43-T90 VanDerWaalsContact CA-O 3.29Å; S43-T90 WeakPolarHBondContact CA-O 3.47Å
44	Y	97.1	Very high	96.8	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.6	175.8	67.4	-91.5	0	0	0	110.9	S22 T46 P50 L52 Y85 K87 T90 S91	S22-Y44 CarbonylContact O-C 3.51Å; S22-Y44 VanDerWaalsContact O-CA 3.23Å; S22-Y44 WeakPolarHBondContact O-CA 3.4Å; Y44-T46 HydrophobicContact CD2-CG2 3.76Å; Y44-T46 HydrophobicContact CE2-CG2 3.85Å; Y44-P50 HydrophobicContact CD2-CG 4.16Å; Y44-P50 HydrophobicContact CE2-CG 3.88Å; Y44-L52 HydrophobicContact CD1-CD1 3.8Å; Y44-L52 HydrophobicContact CD1-CD2 3.94Å; Y44-L52 HydrophobicContact CE1-CD1 3.52Å; Y44-L52 HydrophobicContact CE1-CD2 4.28Å; Y44-L52 HydrophobicContact CG-CD2 4.1Å; Y44-Y85 HydrophobicContact CE1-CE2 4.26Å; Y44-Y85 AromaticContact CZ-CE2 3.93Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.3Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.22Å; Y44-K87 WeakPolarHBondContact OH-CA 3.22Å; Y44-T90 WeakPolarHBondContact CD1-O 3.25Å; Y44-T90 HydrophobicContact CE2-CG2 4.49Å; Y44-T90 PolarHBondContact N-O 3.24Å; Y44-T90 WeakPolarHBondContact O-CB 3.23Å; Y44-S91 VanDerWaalsContact CE1-N 3.35Å
45	E	96.5	Very high	96.9	Very high	130 Å²	130	54 Å²	54	61%	0.607	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	172.7	-62.2	-176.1	-179.3	0	0	108.5	D21 S22	D21-E45 CarbonylContact C-O 3.58Å; D21-E45 VanDerWaalsContact CA-O 3.25Å; D21-E45 WeakPolarHBondContact CA-O 3.36Å; S22-E45 PolarHBondContact N-O 2.83Å; S22-E45 PolarHBondContact O-N 3.29Å
46	T	94.6	Very high	96.9	Very high	36 Å²	36	51.9 Å²	51.9	22%	0.221	26%	0.263	C	S	.	.			trans	-160	152.3	176.4	177.7	0	0	0	0	110.2	D21 Y44 Q48 P50	D21-T46 VanDerWaalsContact OD1-CA 3.24Å; D21-T46 WeakPolarHBondContact OD1-CA 3.43Å; D21-T46 WeakPolarHBondContact OD1-CB 3.3Å; D21-T46 PolarHBondContact OD1-OG1 3.47Å; D21-T46 PolarHBondContact OD2-OG1 3.5Å; Y44-T46 HydrophobicContact CD2-CG2 3.76Å; Y44-T46 HydrophobicContact CE2-CG2 3.85Å; T46-Q48 PolarHBondContact OG1-N 3.14Å; T46-P50 HydrophobicContact CG2-CB 4.23Å; T46-P50 HydrophobicContact CG2-CG 3.66Å
47	K	91.5	Very high	96.9	Very high	163 Å²	163	51.7 Å²	51.7	71%	0.709	26%	0.259	S	S	*	.	S	Bend	trans	-88.6	-6.8	171.5	-61.8	-176	-175.2	178.8	0	112.7	N19	N19-K47 PolarHBondContact OD1-NZ 2.93Å
48	Q	91.7	Very high	96.9	Very high	146 Å²	146	49.6 Å²	49.6	68%	0.682	24%	0.239	S	C	*	.	S	Bend	trans	-106	-173.9	-175	-58	-167.3	7.9	0	0	111.9	T46 P50	T46-Q48 PolarHBondContact OG1-N 3.14Å; Q48-P50 VanDerWaalsContact O-CD 3.24Å; Q48-P50 WeakPolarHBondContact O-CD 3.35Å
49	Y	94.5	Very high	96.9	Very high	118 Å²	118	54 Å²	54	46%	0.463	27%	0.269	S	S	.	.			trans	-100.8	92.5	170	-170.6	-89.7	0	0	0	108.4	P70 K71 A72 K87	Y49-P70 VanDerWaalsContact CE1-O 3.27Å; Y49-P70 WeakPolarHBondContact CE1-O 3.31Å; Y49-K71 WeakPolarHBondContact OH-CA 3.05Å; Y49-A72 HydrophobicContact CE2-CB 4.21Å; Y49-A72 PolarHBondContact OH-N 3Å; Y49-K87 HydrophobicContact CD2-CD 4.46Å; Y49-K87 HydrophobicContact CE2-CD 4.13Å
50	P	96.6	Very high	96.9	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.045	30%	0.295	C	S	.	.			trans	-76.2	154.4	-172	33.2	-39.4	0	0	0	110.9	Y44 T46 Q48 L52 Y85 L111 G112	Y44-P50 HydrophobicContact CD2-CG 4.16Å; Y44-P50 HydrophobicContact CE2-CG 3.88Å; T46-P50 HydrophobicContact CG2-CB 4.23Å; T46-P50 HydrophobicContact CG2-CG 3.66Å; Q48-P50 VanDerWaalsContact O-CD 3.24Å; Q48-P50 WeakPolarHBondContact O-CD 3.35Å; P50-L52 HydrophobicContact CB-CD2 4.06Å; P50-L52 HydrophobicContact CG-CD2 3.88Å; P50-L52 HydrophobicContact CG-CG 4.44Å; P50-Y85 WeakPolarHBondContact CD-OH 3.4Å; P50-Y85 WeakPolarHBondContact CG-OH 3.44Å; P50-Y85 WeakPolarHBondContact O-CE1 3.15Å; P50-Y85 PolarHBondContact O-OH 3.44Å; P50-L111 HydrophobicContact CB-CB 4Å; P50-G112 CarbonylContact C-O 3.54Å; P50-G112 WeakPolarHBondContact CA-O 3.49Å
51	T	98	Very high	96.9	Very high	35 Å²	35	59 Å²	59	22%	0.215	31%	0.311	C	S	.	.			trans	-83.8	136.5	151.4	-62.7	0	0	0	0	108.3	F53 K68 P70 L111 G112	T51-F53 HydrophobicContact CG2-CD2 4.3Å; T51-F53 HydrophobicContact CG2-CE1 3.95Å; T51-F53 HydrophobicContact CG2-CE2 3.59Å; T51-F53 HydrophobicContact CG2-CZ 3.38Å; T51-F53 WeakPolarHBondContact O-CD2 3.41Å; T51-F53 WeakPolarHBondContact O-CE2 3.15Å; T51-K68 HydrophobicContact CG2-CB 4.21Å; T51-K68 HydrophobicContact CG2-CD 4.37Å; T51-P70 HydrophobicContact CG2-CB 4.2Å; T51-L111 WeakPolarHBondContact O-CA 3.49Å; T51-G112 PolarHBondContact N-O 2.83Å; T51-G112 PolarHBondContact O-N 3.16Å
52	L	98.6	Very high	96.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.8	179.5	-57.5	178.4	0	0	0	110.7	Y44 P50 K68 V69 Y85 F92 L111	Y44-L52 HydrophobicContact CD1-CD1 3.8Å; Y44-L52 HydrophobicContact CD1-CD2 3.94Å; Y44-L52 HydrophobicContact CE1-CD1 3.52Å; Y44-L52 HydrophobicContact CE1-CD2 4.28Å; Y44-L52 HydrophobicContact CG-CD2 4.1Å; P50-L52 HydrophobicContact CB-CD2 4.06Å; P50-L52 HydrophobicContact CG-CD2 3.88Å; P50-L52 HydrophobicContact CG-CG 4.44Å; L52-K68 CarbonylContact O-C 3.56Å; L52-K68 VanDerWaalsContact O-CA 3.22Å; L52-K68 WeakPolarHBondContact O-CA 3.49Å; L52-V69 PolarHBondContact N-O 3.3Å; L52-V69 PolarHBondContact O-N 2.73Å; L52-Y85 HydrophobicContact CD1-CD1 3.91Å; L52-Y85 HydrophobicContact CD1-CD2 3.46Å; L52-Y85 VanDerWaalsContact CD1-CD2 3.46Å; L52-Y85 HydrophobicContact CD1-CE1 4.09Å; L52-Y85 HydrophobicContact CD1-CE2 3.7Å; L52-Y85 HydrophobicContact CD1-CG 3.61Å; L52-Y85 HydrophobicContact CG-CD1 4.13Å; L52-Y85 HydrophobicContact CG-CD2 4.44Å; L52-Y85 HydrophobicContact CG-CE1 4.06Å; L52-Y85 HydrophobicContact CG-CE2 4.42Å; L52-Y85 HydrophobicContact CG-CG 4.33Å; L52-F92 HydrophobicContact CB-CB 4.44Å; L52-F92 HydrophobicContact CB-CD1 3.5Å; L52-F92 VanDerWaalsContact CB-CD1 3.5Å; L52-F92 HydrophobicContact CB-CD2 4.28Å; L52-F92 HydrophobicContact CB-CE1 3.63Å; L52-F92 HydrophobicContact CB-CE2 4.42Å; L52-F92 HydrophobicContact CB-CG 3.84Å; L52-F92 HydrophobicContact CB-CZ 4.11Å; L52-F92 HydrophobicContact CD1-CB 3.66Å; L52-F92 HydrophobicContact CD1-CD1 4.29Å; L52-F92 HydrophobicContact CD1-CD2 4.09Å; L52-F92 HydrophobicContact CD1-CG 3.78Å; L52-F92 HydrophobicContact CG-CD1 4.49Å; L52-F92 HydrophobicContact CG-CG 4.44Å; L52-L111 HydrophobicContact CD2-CB 3.71Å
53	F	98.7	Very high	96.9	Very high	35 Å²	35	62.4 Å²	62.4	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.1	-171.3	-55.3	-100.9	0	0	0	110.3	T51 Y55 L65 K68 A110	T51-F53 HydrophobicContact CG2-CD2 4.3Å; T51-F53 HydrophobicContact CG2-CE1 3.95Å; T51-F53 HydrophobicContact CG2-CE2 3.59Å; T51-F53 HydrophobicContact CG2-CZ 3.38Å; T51-F53 WeakPolarHBondContact O-CD2 3.41Å; T51-F53 WeakPolarHBondContact O-CE2 3.15Å; F53-Y55 HydrophobicContact CB-CD2 4.16Å; F53-Y55 HydrophobicContact CB-CE2 3.59Å; F53-Y55 HydrophobicContact CD1-CE2 4.44Å; F53-Y55 HydrophobicContact CG-CE2 4.2Å; F53-L65 HydrophobicContact CB-CD1 4.44Å; F53-L65 HydrophobicContact CD1-CD1 3.92Å; F53-K68 HydrophobicContact CD1-CB 3.43Å; F53-K68 VanDerWaalsContact CD1-CB 3.43Å; F53-K68 HydrophobicContact CD1-CD 4.24Å; F53-K68 HydrophobicContact CD1-CG 4.48Å; F53-K68 HydrophobicContact CE1-CB 3.69Å; F53-K68 HydrophobicContact CE1-CD 3.68Å; F53-K68 HydrophobicContact CE1-CG 4.34Å; F53-K68 HydrophobicContact CG-CB 4.17Å; F53-A110 HydrophobicContact CB-CB 4.28Å; F53-A110 PolarHBondContact N-O 2.94Å; F53-A110 PolarHBondContact O-N 3.22Å
54	W	98.7	Very high	96.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.2	160.2	-82.9	103	0	0	0	109.2	V40 C42 L66 F67 F92 L94 Y108 C109	V40-W54 HydrophobicContact CB-CH2 4.08Å; V40-W54 HydrophobicContact CG1-CH2 3.76Å; V40-W54 HydrophobicContact CG1-CZ3 4.26Å; C42-W54 HydrophobicContact CB-CH2 4.05Å; C42-W54 HydrophobicContact CB-CZ2 3.62Å; W54-L66 HydrophobicContact CB-CB 4.24Å; W54-L66 HydrophobicContact CB-CD2 4.32Å; W54-L66 WeakPolarHBondContact O-CA 3.4Å; W54-L66 VanDerWaalsContact O-CB 3.27Å; W54-L66 WeakPolarHBondContact O-CB 3.27Å; W54-L66 PolarHBondContact O-N 2.88Å; W54-F67 HydrophobicContact CB-CE2 4.22Å; W54-F67 HydrophobicContact CB-CZ 4.22Å; W54-F67 AromaticContact CD1-CE2 3.68Å; W54-F67 AromaticContact CD1-CZ 3.85Å; W54-F67 HydrophobicContact CG-CE2 4.3Å; W54-F67 HydrophobicContact CG-CZ 4.28Å; W54-F67 PolarHBondContact N-O 2.75Å; W54-F67 PolarHBondContact O-N 2.72Å; W54-F92 AromaticContact CD1-CD1 3.49Å; W54-F92 VanDerWaalsContact CD1-CD1 3.49Å; W54-F92 AromaticContact CD1-CE1 3.21Å; W54-F92 AromaticContact CD1-CZ 3.98Å; W54-F92 HydrophobicContact CG-CE1 4.26Å; W54-F92 WeakPolarHBondContact CZ2-O 3.39Å; W54-F92 AromaticContact NE1-CD1 3.3Å; W54-F92 VanDerWaalsContact NE1-CD1 3.3Å; W54-F92 AromaticContact NE1-CE1 3.57Å; W54-F92 AromaticContact NE1-CG 3.99Å; W54-F92 PolarHBondContact NE1-O 3.08Å; W54-L94 HydrophobicContact CB-CD1 4.35Å; W54-L94 HydrophobicContact CD2-CB 3.91Å; W54-L94 HydrophobicContact CD2-CD1 4.05Å; W54-L94 HydrophobicContact CD2-CD2 4.05Å; W54-L94 HydrophobicContact CD2-CG 4.23Å; W54-L94 HydrophobicContact CE3-CB 4.27Å; W54-L94 HydrophobicContact CE3-CD2 3.89Å; W54-L94 HydrophobicContact CG-CD1 3.83Å; W54-L94 HydrophobicContact CH2-CB 3.92Å; W54-L94 HydrophobicContact CZ2-CB 3.54Å; W54-L94 HydrophobicContact CZ3-CB 4.27Å; W54-L94 HydrophobicContact CZ3-CD2 4.2Å; W54-Y108 WeakPolarHBondContact CA-O 3.4Å; W54-Y108 VanDerWaalsContact CE3-C 3.44Å; W54-C109 HydrophobicContact CD2-CB 4.39Å; W54-C109 HydrophobicContact CE3-CB 4.23Å; W54-C109 HydrophobicContact CH2-CB 3.67Å; W54-C109 HydrophobicContact CZ2-CB 3.79Å; W54-C109 HydrophobicContact CZ3-CB 3.89Å
55	Y	98.6	Very high	96.9	Very high	73 Å²	73	67 Å²	67	29%	0.286	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.9	170	-66	-97.9	0	0	0	109.7	F53 P63 Q64 L65 Y107 Y108 A110	F53-Y55 HydrophobicContact CB-CD2 4.16Å; F53-Y55 HydrophobicContact CB-CE2 3.59Å; F53-Y55 HydrophobicContact CD1-CE2 4.44Å; F53-Y55 HydrophobicContact CG-CE2 4.2Å; Y55-P63 HydrophobicContact CD1-CB 4.39Å; Y55-Q64 CarbonylContact C-O 3.51Å; Y55-Q64 WeakPolarHBondContact CA-O 3.36Å; Y55-Q64 WeakPolarHBondContact CB-O 3.41Å; Y55-L65 HydrophobicContact CD1-CB 4.31Å; Y55-L65 HydrophobicContact CD1-CD1 4.48Å; Y55-L65 HydrophobicContact CE1-CB 4.04Å; Y55-L65 HydrophobicContact CE1-CD1 4.04Å; Y55-L65 HydrophobicContact CE2-CD1 4.38Å; Y55-Y107 CarbonylContact O-C 3.54Å; Y55-Y107 WeakPolarHBondContact O-CA 3.33Å; Y55-Y108 PolarHBondContact N-O 3.2Å; Y55-Y108 PolarHBondContact O-N 2.78Å; Y55-A110 HydrophobicContact CD2-CB 4.45Å; Y55-A110 HydrophobicContact CE2-CB 4.21Å
56	V	98.4	Very high	97	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137	171.7	60.9	0	0	0	0	108.8	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CE2 4.04Å; V56-Y58 HydrophobicContact CG2-CD2 4.36Å; V56-Y58 HydrophobicContact CG2-CE1 4.37Å; V56-Y58 HydrophobicContact CG2-CE2 3.85Å; V56-Q64 HydrophobicContact CG1-CB 4.29Å; V56-Q64 PolarHBondContact N-O 3.33Å; V56-Q64 PolarHBondContact O-N 2.87Å; V56-L66 HydrophobicContact CG1-CB 4.32Å; V56-L66 HydrophobicContact CG1-CD1 4.18Å; V56-A105 HydrophobicContact CG2-CB 3.54Å; V56-V106 CarbonylContact C-O 3.52Å; V56-V106 WeakPolarHBondContact CA-O 3.33Å; V56-Y107 HydrophobicContact CB-CD1 4.09Å; V56-Y107 HydrophobicContact CB-CE1 3.89Å; V56-Y107 HydrophobicContact CG2-CD1 4.1Å; V56-Y107 HydrophobicContact CG2-CE1 3.58Å; V56-Y107 HydrophobicContact CG2-CE2 4.46Å
57	Q	98.3	Very high	97.2	Very high	52 Å²	52	60.1 Å²	60.1	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	107.9	176	-174.4	176.6	19.8	0	0	109.7	E61 A105 V106 Y108	Q57-E61 WeakPolarHBondContact CG-O 3.43Å; Q57-E61 PolarHBondContact NE2-O 2.97Å; Q57-A105 WeakPolarHBondContact O-CB 3.5Å; Q57-V106 HydrophobicContact CB-CB 4.46Å; Q57-V106 PolarHBondContact N-O 2.83Å; Q57-V106 PolarHBondContact O-N 3.14Å; Q57-Y108 HydrophobicContact CB-CD2 4.49Å; Q57-Y108 HydrophobicContact CB-CE2 3.85Å; Q57-Y108 PolarHBondContact OE1-OH 3.09Å; Q57-Y108 VanDerWaalsContact OE1-OH 3.13Å
58	Y	97.7	Very high	97.6	Very high	38 Å²	38	58.3 Å²	58.3	15%	0.149	32%	0.321	C	S	.	.			trans	-76.2	155.5	173.3	-65.8	-76.1	0	0	0	111.2	V56 G60 E61 R79 S102 A105	V56-Y58 HydrophobicContact CG1-CE2 4.04Å; V56-Y58 HydrophobicContact CG2-CD2 4.36Å; V56-Y58 HydrophobicContact CG2-CE1 4.37Å; V56-Y58 HydrophobicContact CG2-CE2 3.85Å; Y58-G60 PolarHBondContact O-N 2.79Å; Y58-E61 PolarHBondContact O-N 2.92Å; Y58-R79 PolarHBondContact OH-NH1 2.78Å; Y58-S102 WeakPolarHBondContact CE1-O 3.44Å; Y58-A105 HydrophobicContact CD1-CB 3.79Å; Y58-A105 HydrophobicContact CE1-CB 3.92Å; Y58-A105 HydrophobicContact CG-CB 4.39Å
59	P	96.8	Very high	97.9	Very high	113 Å²	113	51.5 Å²	51.5	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	124.8	177	-26.6	35.3	0	0	0	112.5	E61	P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 2.88Å
60	G	97.4	Very high	98.1	Very high	93 Å²	93	48.6 Å²	48.6	96%	0.959	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-1.3	179.9	0	0	0	0	0	115.3	Y58	Y58-G60 PolarHBondContact O-N 2.79Å
61	E	97.2	Very high	98.1	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-107	165.7	178.3	-60.5	-174.4	-171.9	0	0	112.1	Q57 Y58 P59 Q64	Q57-E61 WeakPolarHBondContact CG-O 3.43Å; Q57-E61 PolarHBondContact NE2-O 2.97Å; Y58-E61 PolarHBondContact O-N 2.92Å; P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 2.88Å; E61-Q64 PolarHBondContact OE2-NE2 3.41Å
62	G	97.3	Very high	98.1	Very high	45 Å²	45	52.9 Å²	52.9	46%	0.464	30%	0.304	S	S	.	.			trans	-82.1	164.7	168.4	0	0	0	0	0	112.1	Q64	G62-Q64 PolarHBondContact O-N 2.84Å
63	P	97.9	Very high	98	Very high	81 Å²	81	58.7 Å²	58.7	53%	0.526	34%	0.335	S	S	.	.			trans	-58.7	128.2	173.7	-23.5	34.1	0	0	0	112	Y55	Y55-P63 HydrophobicContact CD1-CB 4.39Å
64	Q	98.5	Very high	98	Very high	68 Å²	68	61 Å²	61	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.3	177.4	-64.4	175.5	9.4	0	0	109.7	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.51Å; Y55-Q64 WeakPolarHBondContact CA-O 3.36Å; Y55-Q64 WeakPolarHBondContact CB-O 3.41Å; V56-Q64 HydrophobicContact CG1-CB 4.29Å; V56-Q64 PolarHBondContact N-O 3.33Å; V56-Q64 PolarHBondContact O-N 2.87Å; E61-Q64 PolarHBondContact OE2-NE2 3.41Å; G62-Q64 PolarHBondContact O-N 2.84Å; Q64-L66 PolarHBondContact O-N 2.02Å; Q64-L66 VanDerWaalsContact O-N 3.15Å
65	L	98.4	Very high	98	Very high	83 Å²	83	66.2 Å²	66.2	44%	0.435	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	118.4	174.9	-178.6	65.8	0	0	0	109.5	F53 Y55 F67 K68	F53-L65 HydrophobicContact CB-CD1 4.44Å; F53-L65 HydrophobicContact CD1-CD1 3.92Å; Y55-L65 HydrophobicContact CD1-CB 4.31Å; Y55-L65 HydrophobicContact CD1-CD1 4.48Å; Y55-L65 HydrophobicContact CE1-CB 4.04Å; Y55-L65 HydrophobicContact CE1-CD1 4.04Å; Y55-L65 HydrophobicContact CE2-CD1 4.38Å; L65-F67 WeakPolarHBondContact CD1-O 3.47Å; L65-K68 HydrophobicContact CD1-CB 4.45Å
66	L	98.5	Very high	97.9	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-55.1	172.6	-173.1	61.8	0	0	0	109.2	W54 V56 Q64 N78 R79 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.24Å; W54-L66 HydrophobicContact CB-CD2 4.32Å; W54-L66 WeakPolarHBondContact O-CA 3.4Å; W54-L66 VanDerWaalsContact O-CB 3.27Å; W54-L66 WeakPolarHBondContact O-CB 3.27Å; W54-L66 PolarHBondContact O-N 2.88Å; V56-L66 HydrophobicContact CG1-CB 4.32Å; V56-L66 HydrophobicContact CG1-CD1 4.18Å; Q64-L66 PolarHBondContact O-N 2.02Å; Q64-L66 VanDerWaalsContact O-N 3.15Å; L66-N78 HydrophobicContact CD1-CB 4.12Å; L66-N78 HydrophobicContact CG-CB 4.37Å; L66-N78 VanDerWaalsContact O-CB 3.23Å; L66-N78 WeakPolarHBondContact O-CB 3.36Å; L66-N78 PolarHBondContact O-ND2 2.9Å; L66-R79 HydrophobicContact CD1-CG 4.37Å; L66-F81 HydrophobicContact CD2-CB 3.93Å; L66-F81 HydrophobicContact CD2-CD2 4.21Å; L66-F81 HydrophobicContact CD2-CG 4.03Å; L66-L94 HydrophobicContact CD2-CD1 4.12Å; L66-L94 HydrophobicContact CD2-CD2 4.36Å; L66-Y107 HydrophobicContact CD2-CD1 4.19Å; L66-Y107 HydrophobicContact CD2-CE1 4.07Å
67	F	98.7	Very high	97.9	Very high	17 Å²	17	67.1 Å²	67.1	8%	0.075	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	168.4	168.4	51.9	-100.8	0	0	0	110.4	W54 L65 V69 N78 F81 A83 F92 L94	W54-F67 HydrophobicContact CB-CE2 4.22Å; W54-F67 HydrophobicContact CB-CZ 4.22Å; W54-F67 AromaticContact CD1-CE2 3.68Å; W54-F67 AromaticContact CD1-CZ 3.85Å; W54-F67 HydrophobicContact CG-CE2 4.3Å; W54-F67 HydrophobicContact CG-CZ 4.28Å; W54-F67 PolarHBondContact N-O 2.75Å; W54-F67 PolarHBondContact O-N 2.72Å; L65-F67 WeakPolarHBondContact CD1-O 3.47Å; F67-V69 HydrophobicContact CD2-CG2 4.38Å; F67-N78 HydrophobicContact CB-CB 4.47Å; F67-N78 HydrophobicContact CD1-CB 3.86Å; F67-F81 HydrophobicContact CE1-CB 4.09Å; F67-A83 HydrophobicContact CE2-CB 3.78Å; F67-A83 HydrophobicContact CZ-CB 3.82Å; F67-F92 HydrophobicContact CD2-CZ 4.28Å; F67-F92 HydrophobicContact CE2-CE1 4.24Å; F67-F92 AromaticContact CE2-CZ 3.8Å; F67-F92 HydrophobicContact CE2-CZ 3.8Å; F67-L94 HydrophobicContact CE1-CD1 3.86Å; F67-L94 HydrophobicContact CZ-CD1 3.48Å; F67-L94 VanDerWaalsContact CZ-CD1 3.48Å
68	K	98.4	Very high	97.9	Very high	125 Å²	125	68 Å²	68	54%	0.543	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.2	172.4	69.9	-180	-177.1	176.4	0	110.9	T51 L52 F53 L65	T51-K68 HydrophobicContact CG2-CB 4.21Å; T51-K68 HydrophobicContact CG2-CD 4.37Å; L52-K68 CarbonylContact O-C 3.56Å; L52-K68 VanDerWaalsContact O-CA 3.22Å; L52-K68 WeakPolarHBondContact O-CA 3.49Å; F53-K68 HydrophobicContact CD1-CB 3.43Å; F53-K68 VanDerWaalsContact CD1-CB 3.43Å; F53-K68 HydrophobicContact CD1-CD 4.24Å; F53-K68 HydrophobicContact CD1-CG 4.48Å; F53-K68 HydrophobicContact CE1-CB 3.69Å; F53-K68 HydrophobicContact CE1-CD 3.68Å; F53-K68 HydrophobicContact CE1-CG 4.34Å; F53-K68 HydrophobicContact CG-CB 4.17Å; L65-K68 HydrophobicContact CD1-CB 4.45Å
69	V	98.7	Very high	97.9	Very high	3 Å²	3	71.9 Å²	71.9	2%	0.018	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	107.8	178.6	-177.2	0	0	0	0	108.6	L52 F67 K71 E74 G76 Y85 F92	L52-V69 PolarHBondContact N-O 3.3Å; L52-V69 PolarHBondContact O-N 2.73Å; F67-V69 HydrophobicContact CD2-CG2 4.38Å; V69-K71 WeakPolarHBondContact CG1-O 3.34Å; V69-E74 HydrophobicContact CG1-CB 3.74Å; V69-G76 VanDerWaalsContact CG2-CA 3.4Å; V69-Y85 HydrophobicContact CG1-CD1 4.09Å; V69-Y85 HydrophobicContact CG1-CG 4.47Å; V69-F92 HydrophobicContact CB-CE2 3.9Å; V69-F92 HydrophobicContact CB-CZ 3.8Å; V69-F92 HydrophobicContact CG2-CE2 3.73Å; V69-F92 HydrophobicContact CG2-CZ 3.51Å
70	P	97.8	Very high	98	Very high	56 Å²	56	69.4 Å²	69.4	36%	0.364	40%	0.402	S	S	.	.			trans	-84.1	-13.6	-175.1	33	-34.9	0	0	0	113.6	Y49 T51	Y49-P70 VanDerWaalsContact CE1-O 3.27Å; Y49-P70 WeakPolarHBondContact CE1-O 3.31Å; T51-P70 HydrophobicContact CG2-CB 4.2Å
71	K	97.9	Very high	98	Very high	113 Å²	113	65 Å²	65	49%	0.491	36%	0.356	S	S	.	.	S	Bend	trans	-127.7	136.8	-172.8	-68.2	164.3	175.2	178.3	0	111.6	Y49 V69 E74 Y85	Y49-K71 WeakPolarHBondContact OH-CA 3.05Å; V69-K71 WeakPolarHBondContact CG1-O 3.34Å; K71-E74 HydrophobicContact CB-CB 4.48Å; K71-E74 HydrophobicContact CB-CG 3.93Å; K71-E74 WeakPolarHBondContact CD-OE1 3.28Å; K71-E74 IonicContact NZ-OE1 2.76Å; K71-E74 WeakPolarHBondContact O-CB 3.31Å; K71-E74 PolarHBondContact O-N 2.79Å; K71-Y85 WeakPolarHBondContact O-CD1 3.37Å
72	A	97.3	Very high	98.1	Very high	20 Å²	20	63.8 Å²	63.8	17%	0.165	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	143.2	170.7	0	0	0	0	0	111.3	Y49 E74 Y85 K87	Y49-A72 HydrophobicContact CE2-CB 4.21Å; Y49-A72 PolarHBondContact OH-N 3Å; A72-E74 PolarHBondContact O-N 2.8Å; A72-E74 VanDerWaalsContact O-N 3.14Å; A72-Y85 HydrophobicContact CB-CD2 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.37Å; A72-K87 HydrophobicContact CB-CB 3.74Å; A72-K87 HydrophobicContact CB-CD 4.05Å; A72-K87 HydrophobicContact CB-CG 4.45Å
73	N	96.5	Very high	98.2	Very high	122 Å²	122	61.6 Å²	61.6	65%	0.652	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	-2.7	-178	-50.2	-38.2	0	0	0	115.3	Y85	N73-Y85 PolarHBondContact N-O 3.27Å
74	E	98.4	Very high	98.2	Very high	83 Å²	83	60.4 Å²	60.4	39%	0.388	32%	0.32	S	S	.	.			trans	-79.1	154.9	167.7	-67.1	-173.1	176.6	0	0	110.6	V69 K71 A72 Y85	V69-E74 HydrophobicContact CG1-CB 3.74Å; K71-E74 HydrophobicContact CB-CB 4.48Å; K71-E74 HydrophobicContact CB-CG 3.93Å; K71-E74 WeakPolarHBondContact CD-OE1 3.28Å; K71-E74 IonicContact NZ-OE1 2.76Å; K71-E74 WeakPolarHBondContact O-CB 3.31Å; K71-E74 PolarHBondContact O-N 2.79Å; A72-E74 PolarHBondContact O-N 2.8Å; A72-E74 VanDerWaalsContact O-N 3.14Å; E74-Y85 PolarHBondContact O-N 3.44Å
75	K	98.4	Very high	98.2	Very high	110 Å²	110	57.2 Å²	57.2	48%	0.478	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.3	177.6	178	-178.4	-81.9	-160.2	0	109	E82 A83 T84	K75-E82 HydrophobicContact CD-CB 4.16Å; K75-E82 WeakPolarHBondContact CD-OE2 3.41Å; K75-E82 HydrophobicContact CG-CB 4.37Å; K75-E82 IonicContact NZ-OE1 3.64Å; K75-E82 PolarHBondContact NZ-OE1 3.28Å; K75-E82 IonicContact NZ-OE2 3Å; K75-E82 PolarHBondContact NZ-OE2 2.95Å; K75-A83 WeakPolarHBondContact CA-O 3.22Å; K75-T84 WeakPolarHBondContact CE-OG1 3.46Å
76	G	98.5	Very high	98.2	Very high	7 Å²	7	56 Å²	56	7%	0.072	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	146.4	168.4	0	0	0	0	0	109.8	V69 E82 A83	V69-G76 VanDerWaalsContact CG2-CA 3.4Å; G76-E82 CarbonylContact O-C 3.57Å; G76-E82 VanDerWaalsContact O-CA 3.22Å; G76-E82 WeakPolarHBondContact O-CA 3.32Å; G76-A83 PolarHBondContact N-O 3.04Å; G76-A83 PolarHBondContact O-N 3.26Å
77	S	98.4	Very high	98.1	Very high	85 Å²	85	61 Å²	61	59%	0.594	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.5	173.7	62.9	0	0	0	0	112.1	F81	S77-F81 CarbonylContact C-O 3.59Å; S77-F81 WeakPolarHBondContact CA-O 3.41Å; S77-F81 WeakPolarHBondContact CB-O 3.34Å
78	N	98.5	Very high	98	Very high	70 Å²	70	69 Å²	69	37%	0.374	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	144.4	171.4	-163	-6.7	0	0	0	109.7	L66 F67 G80 F81	L66-N78 HydrophobicContact CD1-CB 4.12Å; L66-N78 HydrophobicContact CG-CB 4.37Å; L66-N78 VanDerWaalsContact O-CB 3.23Å; L66-N78 WeakPolarHBondContact O-CB 3.36Å; L66-N78 PolarHBondContact O-ND2 2.9Å; F67-N78 HydrophobicContact CB-CB 4.47Å; F67-N78 HydrophobicContact CD1-CB 3.86Å; N78-G80 PolarHBondContact O-N 3.01Å; N78-G80 VanDerWaalsContact O-N 3.09Å; N78-F81 PolarHBondContact N-O 3.28Å; N78-F81 WeakPolarHBondContact O-CB 3.29Å; N78-F81 PolarHBondContact O-N 3Å
79	R	97.2	Very high	98	Very high	120 Å²	120	65.7 Å²	65.7	45%	0.453	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	33.6	178.2	-49.4	-173.4	-168.5	-175.8	3.9	114.4	Y58 L66 F81 K96	Y58-R79 PolarHBondContact OH-NH1 2.78Å; L66-R79 HydrophobicContact CD1-CG 4.37Å; R79-F81 HydrophobicContact CB-CD2 4.32Å; R79-F81 PolarHBondContact O-N 2.99Å; R79-K96 PolarHBondContact O-NZ 3.35Å
80	G	97.8	Very high	97.9	Very high	60 Å²	60	68.8 Å²	68.8	62%	0.619	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-0.4	-177.7	0	0	0	0	0	115	N78	N78-G80 PolarHBondContact O-N 3.01Å; N78-G80 VanDerWaalsContact O-N 3.09Å
81	F	98.7	Very high	97.9	Very high	1 Å²	1	66.6 Å²	66.6	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	148	166.3	-67.5	-88.3	0	0	0	110.4	L38 L66 F67 S77 N78 R79 L94 Q95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CE1 4.11Å; L66-F81 HydrophobicContact CD2-CB 3.93Å; L66-F81 HydrophobicContact CD2-CD2 4.21Å; L66-F81 HydrophobicContact CD2-CG 4.03Å; F67-F81 HydrophobicContact CE1-CB 4.09Å; S77-F81 CarbonylContact C-O 3.59Å; S77-F81 WeakPolarHBondContact CA-O 3.41Å; S77-F81 WeakPolarHBondContact CB-O 3.34Å; N78-F81 PolarHBondContact N-O 3.28Å; N78-F81 WeakPolarHBondContact O-CB 3.29Å; N78-F81 PolarHBondContact O-N 3Å; R79-F81 HydrophobicContact CB-CD2 4.32Å; R79-F81 PolarHBondContact O-N 2.99Å; F81-L94 HydrophobicContact CB-CD1 3.87Å; F81-L94 HydrophobicContact CB-CG 4.46Å; F81-L94 HydrophobicContact CD1-CD1 4.13Å; F81-L94 HydrophobicContact CD1-CD2 3.78Å; F81-L94 HydrophobicContact CD1-CG 3.8Å; F81-L94 HydrophobicContact CE1-CD2 4.2Å; F81-L94 HydrophobicContact CG-CD1 4.38Å; F81-Q95 CarbonylContact C-O 3.56Å; F81-Q95 VanDerWaalsContact CA-O 3.3Å; F81-Q95 WeakPolarHBondContact CA-O 3.29Å; F81-K96 HydrophobicContact CD1-CB 3.73Å; F81-K96 HydrophobicContact CD1-CD 3.94Å; F81-K96 HydrophobicContact CD1-CG 4.43Å; F81-K96 HydrophobicContact CD2-CD 3.95Å; F81-K96 HydrophobicContact CE1-CB 3.77Å; F81-K96 HydrophobicContact CE1-CD 3.61Å; F81-K96 HydrophobicContact CE1-CG 4.33Å; F81-K96 HydrophobicContact CE2-CD 3.59Å; F81-K96 HydrophobicContact CG-CB 4.41Å; F81-K96 HydrophobicContact CG-CD 4.1Å; F81-K96 HydrophobicContact CZ-CB 4.45Å; F81-K96 HydrophobicContact CZ-CD 3.4Å; F81-D103 HydrophobicContact CE2-CB 4.46Å; F81-D103 VanDerWaalsContact CE2-OD1 3.3Å; F81-D103 WeakPolarHBondContact CE2-OD1 2.94Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 HydrophobicContact CD2-CE1 4.47Å; F81-Y107 AromaticContact CE1-CE1 3.86Å; F81-Y107 HydrophobicContact CE1-CE1 3.86Å; F81-Y107 AromaticContact CE1-CZ 3.88Å; F81-Y107 HydrophobicContact CE2-CE1 4.01Å; F81-Y107 AromaticContact CE2-CZ 4Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.27Å; F81-Y107 AromaticContact CZ-CE1 3.69Å; F81-Y107 HydrophobicContact CZ-CE1 3.69Å; F81-Y107 HydrophobicContact CZ-CE2 4.36Å; F81-Y107 AromaticContact CZ-CZ 3.43Å; F81-Y107 VanDerWaalsContact CZ-CZ 3.43Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.41Å
82	E	98.7	Very high	98	Very high	66 Å²	66	61.2 Å²	61.2	31%	0.308	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.9	173.5	57.6	173.1	-145	0	0	111.9	K75 G76 L94 Q95	K75-E82 HydrophobicContact CD-CB 4.16Å; K75-E82 WeakPolarHBondContact CD-OE2 3.41Å; K75-E82 HydrophobicContact CG-CB 4.37Å; K75-E82 IonicContact NZ-OE1 3.64Å; K75-E82 PolarHBondContact NZ-OE1 3.28Å; K75-E82 IonicContact NZ-OE2 3Å; K75-E82 PolarHBondContact NZ-OE2 2.95Å; G76-E82 CarbonylContact O-C 3.57Å; G76-E82 VanDerWaalsContact O-CA 3.22Å; G76-E82 WeakPolarHBondContact O-CA 3.32Å; E82-L94 CarbonylContact O-C 3.48Å; E82-Q95 HydrophobicContact CG-CB 4.1Å; E82-Q95 PolarHBondContact N-O 2.99Å; E82-Q95 PolarHBondContact O-N 2.84Å
83	A	98.8	Very high	98	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.9	167.1	0	0	0	0	0	109.9	F67 K75 G76 F92 H93 L94	F67-A83 HydrophobicContact CE2-CB 3.78Å; F67-A83 HydrophobicContact CZ-CB 3.82Å; K75-A83 WeakPolarHBondContact CA-O 3.22Å; G76-A83 PolarHBondContact N-O 3.04Å; G76-A83 PolarHBondContact O-N 3.26Å; A83-F92 HydrophobicContact CB-CD1 4.41Å; A83-F92 HydrophobicContact CB-CD2 3.82Å; A83-F92 HydrophobicContact CB-CE1 4.21Å; A83-F92 HydrophobicContact CB-CE2 3.56Å; A83-F92 HydrophobicContact CB-CG 4.24Å; A83-F92 HydrophobicContact CB-CZ 3.78Å; A83-H93 WeakPolarHBondContact CA-O 3.43Å; A83-H93 VanDerWaalsContact CB-O 3.22Å; A83-H93 WeakPolarHBondContact CB-O 3.23Å; A83-L94 HydrophobicContact CB-CD1 4.47Å
84	T	98.6	Very high	98.1	Very high	55 Å²	55	57.2 Å²	57.2	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.8	177.2	-57.6	0	0	0	0	109.2	K75 N86 F92	K75-T84 WeakPolarHBondContact CE-OG1 3.46Å; T84-N86 PolarHBondContact O-N 3.41Å; T84-F92 WeakPolarHBondContact O-CD2 3.19Å
85	Y	98.5	Very high	98.1	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	31%	0.307	C	S	.	.			trans	-72.4	98	174.7	-177.1	166.5	0	0	0	109.3	Y44 P50 L52 V69 K71 A72 N73 E74 K87	Y44-Y85 HydrophobicContact CE1-CE2 4.26Å; Y44-Y85 AromaticContact CZ-CE2 3.93Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.3Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.22Å; P50-Y85 WeakPolarHBondContact CD-OH 3.4Å; P50-Y85 WeakPolarHBondContact CG-OH 3.44Å; P50-Y85 WeakPolarHBondContact O-CE1 3.15Å; P50-Y85 PolarHBondContact O-OH 3.44Å; L52-Y85 HydrophobicContact CD1-CD1 3.91Å; L52-Y85 HydrophobicContact CD1-CD2 3.46Å; L52-Y85 VanDerWaalsContact CD1-CD2 3.46Å; L52-Y85 HydrophobicContact CD1-CE1 4.09Å; L52-Y85 HydrophobicContact CD1-CE2 3.7Å; L52-Y85 HydrophobicContact CD1-CG 3.61Å; L52-Y85 HydrophobicContact CG-CD1 4.13Å; L52-Y85 HydrophobicContact CG-CD2 4.44Å; L52-Y85 HydrophobicContact CG-CE1 4.06Å; L52-Y85 HydrophobicContact CG-CE2 4.42Å; L52-Y85 HydrophobicContact CG-CG 4.33Å; V69-Y85 HydrophobicContact CG1-CD1 4.09Å; V69-Y85 HydrophobicContact CG1-CG 4.47Å; K71-Y85 WeakPolarHBondContact O-CD1 3.37Å; A72-Y85 HydrophobicContact CB-CD2 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.37Å; N73-Y85 PolarHBondContact N-O 3.27Å; E74-Y85 PolarHBondContact O-N 3.44Å; Y85-K87 HydrophobicContact CE2-CB 4.12Å
86	N	98.3	Very high	98.1	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-91.9	104	174.4	-168.1	-26.9	0	0	0	110.2	T84 E88 A89 T90 S91	T84-N86 PolarHBondContact O-N 3.41Å; N86-E88 PolarHBondContact OD1-N 3.43Å; N86-E88 VanDerWaalsContact OD1-N 3.16Å; N86-A89 HydrophobicContact CB-CB 4.35Å; N86-A89 PolarHBondContact OD1-N 3.42Å; N86-T90 WeakPolarHBondContact O-CA 3.48Å; N86-T90 PolarHBondContact O-N 3.42Å; N86-S91 PolarHBondContact N-O 3Å; N86-S91 PolarHBondContact O-N 3.11Å
87	K	97	Very high	98.1	Very high	108 Å²	108	56.2 Å²	56.2	47%	0.47	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-37.6	179.4	-172.8	179.3	178.9	-173.4	0	112.7	Y44 Y49 A72 Y85 T90	Y44-K87 WeakPolarHBondContact OH-CA 3.22Å; Y49-K87 HydrophobicContact CD2-CD 4.46Å; Y49-K87 HydrophobicContact CE2-CD 4.13Å; A72-K87 HydrophobicContact CB-CB 3.74Å; A72-K87 HydrophobicContact CB-CD 4.05Å; A72-K87 HydrophobicContact CB-CG 4.45Å; Y85-K87 HydrophobicContact CE2-CB 4.12Å; K87-T90 PolarHBondContact O-N 2.93Å
88	E	96.4	Very high	98.1	Very high	186 Å²	186	55 Å²	55	87%	0.869	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-41.3	-176.1	-63.9	-178.8	175.1	0	0	111.9	N86 T90	N86-E88 PolarHBondContact OD1-N 3.43Å; N86-E88 VanDerWaalsContact OD1-N 3.16Å; E88-T90 VanDerWaalsContact C-N 3.29Å
89	A	97.4	Very high	98	Very high	55 Å²	55	52.2 Å²	52.2	46%	0.455	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	4.7	176.1	0	0	0	0	0	113.4	N86 S91	N86-A89 HydrophobicContact CB-CB 4.35Å; N86-A89 PolarHBondContact OD1-N 3.42Å; A89-S91 VanDerWaalsContact C-N 3.25Å; A89-S91 PolarHBondContact O-N 3.34Å
90	T	97.3	Very high	98.1	Very high	68 Å²	68	51.4 Å²	51.4	42%	0.417	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	48.5	-177.2	53.6	0	0	0	0	112.6	S43 Y44 N86 K87 E88	S43-T90 VanDerWaalsContact CA-O 3.29Å; S43-T90 WeakPolarHBondContact CA-O 3.47Å; Y44-T90 WeakPolarHBondContact CD1-O 3.25Å; Y44-T90 HydrophobicContact CE2-CG2 4.49Å; Y44-T90 PolarHBondContact N-O 3.24Å; Y44-T90 WeakPolarHBondContact O-CB 3.23Å; N86-T90 WeakPolarHBondContact O-CA 3.48Å; N86-T90 PolarHBondContact O-N 3.42Å; K87-T90 PolarHBondContact O-N 2.93Å; E88-T90 VanDerWaalsContact C-N 3.29Å
91	S	98.2	Very high	98	Very high	10 Å²	10	56.1 Å²	56.1	7%	0.07	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-139.6	156.7	-170.8	77.3	0	0	0	0	114.9	C42 Y44 N86 A89 H93	C42-S91 WeakPolarHBondContact O-CA 3.2Å; C42-S91 WeakPolarHBondContact O-CB 3.27Å; Y44-S91 VanDerWaalsContact CE1-N 3.35Å; N86-S91 PolarHBondContact N-O 3Å; N86-S91 PolarHBondContact O-N 3.11Å; A89-S91 VanDerWaalsContact C-N 3.25Å; A89-S91 PolarHBondContact O-N 3.34Å; S91-H93 WeakPolarHBondContact CB-CE1 3.17Å
92	F	98.4	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.328	C	S	.	.			trans	-150.6	57.3	-178.4	-166.6	-130.4	0	0	0	112.3	C42 L52 W54 F67 V69 A83 T84 L94	C42-F92 PolarHBondContact O-N 3.04Å; L52-F92 HydrophobicContact CB-CB 4.44Å; L52-F92 HydrophobicContact CB-CD1 3.5Å; L52-F92 VanDerWaalsContact CB-CD1 3.5Å; L52-F92 HydrophobicContact CB-CD2 4.28Å; L52-F92 HydrophobicContact CB-CE1 3.63Å; L52-F92 HydrophobicContact CB-CE2 4.42Å; L52-F92 HydrophobicContact CB-CG 3.84Å; L52-F92 HydrophobicContact CB-CZ 4.11Å; L52-F92 HydrophobicContact CD1-CB 3.66Å; L52-F92 HydrophobicContact CD1-CD1 4.29Å; L52-F92 HydrophobicContact CD1-CD2 4.09Å; L52-F92 HydrophobicContact CD1-CG 3.78Å; L52-F92 HydrophobicContact CG-CD1 4.49Å; L52-F92 HydrophobicContact CG-CG 4.44Å; W54-F92 AromaticContact CD1-CD1 3.49Å; W54-F92 VanDerWaalsContact CD1-CD1 3.49Å; W54-F92 AromaticContact CD1-CE1 3.21Å; W54-F92 AromaticContact CD1-CZ 3.98Å; W54-F92 HydrophobicContact CG-CE1 4.26Å; W54-F92 WeakPolarHBondContact CZ2-O 3.39Å; W54-F92 AromaticContact NE1-CD1 3.3Å; W54-F92 VanDerWaalsContact NE1-CD1 3.3Å; W54-F92 AromaticContact NE1-CE1 3.57Å; W54-F92 AromaticContact NE1-CG 3.99Å; W54-F92 PolarHBondContact NE1-O 3.08Å; F67-F92 HydrophobicContact CD2-CZ 4.28Å; F67-F92 HydrophobicContact CE2-CE1 4.24Å; F67-F92 AromaticContact CE2-CZ 3.8Å; F67-F92 HydrophobicContact CE2-CZ 3.8Å; V69-F92 HydrophobicContact CB-CE2 3.9Å; V69-F92 HydrophobicContact CB-CZ 3.8Å; V69-F92 HydrophobicContact CG2-CE2 3.73Å; V69-F92 HydrophobicContact CG2-CZ 3.51Å; A83-F92 HydrophobicContact CB-CD1 4.41Å; A83-F92 HydrophobicContact CB-CD2 3.82Å; A83-F92 HydrophobicContact CB-CE1 4.21Å; A83-F92 HydrophobicContact CB-CE2 3.56Å; A83-F92 HydrophobicContact CB-CG 4.24Å; A83-F92 HydrophobicContact CB-CZ 3.78Å; T84-F92 WeakPolarHBondContact O-CD2 3.19Å; F92-L94 PolarHBondContact O-N 2.85Å
93	H	98.5	Very high	97.8	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.269	32%	0.318	S	S	.	.			trans	-66.2	127	-173.6	-51.8	-27.1	0	0	0	112.1	T39 V40 C42 A83 S91	T39-H93 HydrophobicContact CG2-CB 4.2Å; V40-H93 CarbonylContact O-C 3.5Å; V40-H93 VanDerWaalsContact O-CA 3.31Å; V40-H93 WeakPolarHBondContact O-CA 3.5Å; C42-H93 PolarHBondContact N-ND1 3.04Å; C42-H93 PolarHBondContact O-CE1 3.13Å; C42-H93 PolarHBondContact O-ND1 3.49Å; C42-H93 VanDerWaalsContact O-ND1 3.1Å; A83-H93 WeakPolarHBondContact CA-O 3.43Å; A83-H93 VanDerWaalsContact CB-O 3.22Å; A83-H93 WeakPolarHBondContact CB-O 3.23Å; S91-H93 WeakPolarHBondContact CB-CE1 3.17Å
94	L	98.6	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.6	173.2	-167.9	64.5	0	0	0	109.4	T39 V40 W54 L66 F67 F81 E82 A83 F92 Y107	T39-L94 CarbonylContact C-O 3.6Å; T39-L94 VanDerWaalsContact CA-O 3.28Å; T39-L94 WeakPolarHBondContact CA-O 3.3Å; V40-L94 HydrophobicContact CB-CB 4.13Å; V40-L94 PolarHBondContact N-O 3.09Å; V40-L94 PolarHBondContact O-N 3.41Å; W54-L94 HydrophobicContact CB-CD1 4.35Å; W54-L94 HydrophobicContact CD2-CB 3.91Å; W54-L94 HydrophobicContact CD2-CD1 4.05Å; W54-L94 HydrophobicContact CD2-CD2 4.05Å; W54-L94 HydrophobicContact CD2-CG 4.23Å; W54-L94 HydrophobicContact CE3-CB 4.27Å; W54-L94 HydrophobicContact CE3-CD2 3.89Å; W54-L94 HydrophobicContact CG-CD1 3.83Å; W54-L94 HydrophobicContact CH2-CB 3.92Å; W54-L94 HydrophobicContact CZ2-CB 3.54Å; W54-L94 HydrophobicContact CZ3-CB 4.27Å; W54-L94 HydrophobicContact CZ3-CD2 4.2Å; L66-L94 HydrophobicContact CD2-CD1 4.12Å; L66-L94 HydrophobicContact CD2-CD2 4.36Å; F67-L94 HydrophobicContact CE1-CD1 3.86Å; F67-L94 HydrophobicContact CZ-CD1 3.48Å; F67-L94 VanDerWaalsContact CZ-CD1 3.48Å; F81-L94 HydrophobicContact CB-CD1 3.87Å; F81-L94 HydrophobicContact CB-CG 4.46Å; F81-L94 HydrophobicContact CD1-CD1 4.13Å; F81-L94 HydrophobicContact CD1-CD2 3.78Å; F81-L94 HydrophobicContact CD1-CG 3.8Å; F81-L94 HydrophobicContact CE1-CD2 4.2Å; F81-L94 HydrophobicContact CG-CD1 4.38Å; E82-L94 CarbonylContact O-C 3.48Å; A83-L94 HydrophobicContact CB-CD1 4.47Å; F92-L94 PolarHBondContact O-N 2.85Å; L94-Y107 HydrophobicContact CD2-CD1 3.46Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.46Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 3.92Å
95	Q	98.5	Very high	97.7	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.8	-179.1	-68.7	167.9	52.2	0	0	110.1	L38 T39 F81 E82	L38-Q95 CarbonylContact O-C 3.56Å; L38-Q95 VanDerWaalsContact O-CA 3.29Å; L38-Q95 WeakPolarHBondContact O-CA 3.35Å; T39-Q95 HydrophobicContact CG2-CG 4.14Å; F81-Q95 CarbonylContact C-O 3.56Å; F81-Q95 VanDerWaalsContact CA-O 3.3Å; F81-Q95 WeakPolarHBondContact CA-O 3.29Å; E82-Q95 HydrophobicContact CG-CB 4.1Å; E82-Q95 PolarHBondContact N-O 2.99Å; E82-Q95 PolarHBondContact O-N 2.84Å
96	K	98.2	Very high	97.6	Very high	18 Å²	18	63.3 Å²	63.3	8%	0.078	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.4	168.8	-178.4	154.4	-174.7	161.1	0	109.2	S37 L38 R79 F81 S98 V99 D103	S37-K96 CarbonylContact C-O 3.5Å; S37-K96 WeakPolarHBondContact CA-O 3.46Å; L38-K96 HydrophobicContact CB-CB 4.44Å; L38-K96 PolarHBondContact N-O 2.99Å; L38-K96 PolarHBondContact O-N 2.89Å; R79-K96 PolarHBondContact O-NZ 3.35Å; F81-K96 HydrophobicContact CD1-CB 3.73Å; F81-K96 HydrophobicContact CD1-CD 3.94Å; F81-K96 HydrophobicContact CD1-CG 4.43Å; F81-K96 HydrophobicContact CD2-CD 3.95Å; F81-K96 HydrophobicContact CE1-CB 3.77Å; F81-K96 HydrophobicContact CE1-CD 3.61Å; F81-K96 HydrophobicContact CE1-CG 4.33Å; F81-K96 HydrophobicContact CE2-CD 3.59Å; F81-K96 HydrophobicContact CG-CB 4.41Å; F81-K96 HydrophobicContact CG-CD 4.1Å; F81-K96 HydrophobicContact CZ-CB 4.45Å; F81-K96 HydrophobicContact CZ-CD 3.4Å; K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 WeakPolarHBondContact CE-O 3.36Å; K96-S98 PolarHBondContact O-N 2.91Å; K96-V99 HydrophobicContact CB-CG1 4.42Å; K96-V99 HydrophobicContact CG-CG1 4.35Å; K96-D103 WeakPolarHBondContact CD-OD2 3.34Å; K96-D103 WeakPolarHBondContact CE-OD2 3.24Å; K96-D103 IonicContact NZ-OD1 2.78Å; K96-D103 PolarHBondContact NZ-OD1 2.94Å; K96-D103 IonicContact NZ-OD2 2.68Å; K96-D103 PolarHBondContact NZ-OD2 2.94Å
97	A	98.2	Very high	97.6	Very high	89 Å²	89	61.6 Å²	61.6	74%	0.736	35%	0.35	S	S	*	.	S	Bend	trans	-67.2	-32.8	-173.8	0	0	0	0	0	113.2	S37	S37-A97 WeakPolarHBondContact CA-O 2.99Å
98	S	98.1	Very high	97.6	Very high	59 Å²	59	60.8 Å²	60.8	41%	0.413	35%	0.345	S	S	.	.	S	Bend	trans	-149.9	107.2	-177.2	172.7	0	0	0	0	108.5	G35 K96	G35-S98 WeakPolarHBondContact CA-OG 3.18Å; K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 WeakPolarHBondContact CE-O 3.36Å; K96-S98 PolarHBondContact O-N 2.91Å
99	V	98	Very high	97.7	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.073	31%	0.306	C	S	.	.			trans	-76.5	146.8	179.1	-61	0	0	0	0	111.5	L32 S33 E34 G35 T36 L38 K96 D103	L32-V99 HydrophobicContact CB-CG2 4.17Å; L32-V99 HydrophobicContact CD1-CG1 4.46Å; S33-V99 WeakPolarHBondContact O-CG2 3.1Å; E34-V99 WeakPolarHBondContact CA-O 3.49Å; E34-V99 WeakPolarHBondContact CG-O 3.4Å; G35-V99 PolarHBondContact N-O 3.1Å; T36-V99 WeakPolarHBondContact O-CG2 3.24Å; T36-V99 PolarHBondContact O-N 2.98Å; L38-V99 HydrophobicContact CB-CG1 3.47Å; L38-V99 VanDerWaalsContact CB-CG1 3.47Å; L38-V99 HydrophobicContact CD2-CG1 4.08Å; L38-V99 HydrophobicContact CG-CG1 4.42Å; K96-V99 HydrophobicContact CB-CG1 4.42Å; K96-V99 HydrophobicContact CG-CG1 4.35Å; V99-D103 WeakPolarHBondContact CA-OD2 3.17Å
100	Q	97.8	Very high	97.8	Very high	104 Å²	104	51 Å²	51	49%	0.486	30%	0.296	S	S	.	.			trans	-118.6	160.9	175.7	-63.8	-178.9	2	0	0	110.4	S102 D103	Q100-S102 PolarHBondContact O-N 3.48Å; Q100-D103 PolarHBondContact N-OD2 3.03Å; Q100-D103 VanDerWaalsContact O-CB 3.24Å; Q100-D103 WeakPolarHBondContact O-CB 3.25Å; Q100-D103 PolarHBondContact O-N 2.61Å
101	E	96.1	Very high	97.7	Very high	158 Å²	158	49.5 Å²	49.5	74%	0.738	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-55.8	-35.2	175.5	-170.1	-179.5	-175.1	0	0	112.2	D103 S104	E101-D103 PolarHBondContact O-N 3.04Å; E101-D103 VanDerWaalsContact O-N 3.14Å; E101-S104 VanDerWaalsContact O-CB 3.28Å; E101-S104 WeakPolarHBondContact O-CB 3.3Å; E101-S104 PolarHBondContact O-N 3Å; E101-S104 VanDerWaalsContact O-N 3.08Å; E101-S104 PolarHBondContact O-OG 2.85Å
102	S	96.4	Very high	97.4	Very high	75 Å²	75	53.1 Å²	53.1	52%	0.524	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-65.6	-9.7	175.9	62.9	0	0	0	0	114.7	Y58 Q100 S104	Y58-S102 WeakPolarHBondContact CE1-O 3.44Å; Q100-S102 PolarHBondContact O-N 3.48Å; S102-S104 VanDerWaalsContact C-N 3.3Å
103	D	97.7	Very high	97.4	Very high	16 Å²	16	55.8 Å²	55.8	9%	0.086	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-86.5	0.4	173.3	-63.1	-43.6	0	0	0	113.2	F81 K96 V99 Q100 E101 A105 Y107	F81-D103 HydrophobicContact CE2-CB 4.46Å; F81-D103 VanDerWaalsContact CE2-OD1 3.3Å; F81-D103 WeakPolarHBondContact CE2-OD1 2.94Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; K96-D103 WeakPolarHBondContact CD-OD2 3.34Å; K96-D103 WeakPolarHBondContact CE-OD2 3.24Å; K96-D103 IonicContact NZ-OD1 2.78Å; K96-D103 PolarHBondContact NZ-OD1 2.94Å; K96-D103 IonicContact NZ-OD2 2.68Å; K96-D103 PolarHBondContact NZ-OD2 2.94Å; V99-D103 WeakPolarHBondContact CA-OD2 3.17Å; Q100-D103 PolarHBondContact N-OD2 3.03Å; Q100-D103 VanDerWaalsContact O-CB 3.24Å; Q100-D103 WeakPolarHBondContact O-CB 3.25Å; Q100-D103 PolarHBondContact O-N 2.61Å; E101-D103 PolarHBondContact O-N 3.04Å; E101-D103 VanDerWaalsContact O-N 3.14Å; D103-A105 PolarHBondContact O-N 3.24Å; D103-Y107 WeakPolarHBondContact O-CE2 3.2Å; D103-Y107 PolarHBondContact O-OH 2.95Å
104	S	97.1	Very high	97.3	Very high	80 Å²	80	55.7 Å²	55.7	56%	0.559	34%	0.344	S	S	*	.			trans	-67	98.5	178.5	-59.1	0	0	0	0	110.9	E101 S102	E101-S104 VanDerWaalsContact O-CB 3.28Å; E101-S104 WeakPolarHBondContact O-CB 3.3Å; E101-S104 PolarHBondContact O-N 3Å; E101-S104 VanDerWaalsContact O-N 3.08Å; E101-S104 PolarHBondContact O-OG 2.85Å; S102-S104 VanDerWaalsContact C-N 3.3Å
105	A	97.3	Very high	97.3	Very high	29 Å²	29	58.8 Å²	58.8	24%	0.24	36%	0.363	C	S	.	.	S	Bend	trans	-159.5	172.1	-176.1	0	0	0	0	0	110.9	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.54Å; Q57-A105 WeakPolarHBondContact O-CB 3.5Å; Y58-A105 HydrophobicContact CD1-CB 3.79Å; Y58-A105 HydrophobicContact CE1-CB 3.92Å; Y58-A105 HydrophobicContact CG-CB 4.39Å; D103-A105 PolarHBondContact O-N 3.24Å; A105-Y107 HydrophobicContact CB-CE2 3.87Å
106	V	97.2	Very high	97.2	Very high	74 Å²	74	58 Å²	58	45%	0.448	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.8	166.9	-170.5	0	0	0	0	109.2	V56 Q57 Y108	V56-V106 CarbonylContact C-O 3.52Å; V56-V106 WeakPolarHBondContact CA-O 3.33Å; Q57-V106 HydrophobicContact CB-CB 4.46Å; Q57-V106 PolarHBondContact N-O 2.83Å; Q57-V106 PolarHBondContact O-N 3.14Å; V106-Y108 HydrophobicContact CB-CE2 3.94Å; V106-Y108 HydrophobicContact CG1-CD1 4.46Å; V106-Y108 HydrophobicContact CG1-CD2 4.3Å; V106-Y108 HydrophobicContact CG1-CE1 3.81Å; V106-Y108 HydrophobicContact CG1-CE2 3.62Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.37Å
107	Y	97.7	Very high	97.1	Very high	23 Å²	23	60.5 Å²	60.5	9%	0.09	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.1	179.9	-66.7	-94.7	0	0	0	110.1	Q25 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact NE2-O 2.69Å; Y55-Y107 CarbonylContact O-C 3.54Å; Y55-Y107 WeakPolarHBondContact O-CA 3.33Å; V56-Y107 HydrophobicContact CB-CD1 4.09Å; V56-Y107 HydrophobicContact CB-CE1 3.89Å; V56-Y107 HydrophobicContact CG2-CD1 4.1Å; V56-Y107 HydrophobicContact CG2-CE1 3.58Å; V56-Y107 HydrophobicContact CG2-CE2 4.46Å; L66-Y107 HydrophobicContact CD2-CD1 4.19Å; L66-Y107 HydrophobicContact CD2-CE1 4.07Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 HydrophobicContact CD2-CE1 4.47Å; F81-Y107 AromaticContact CE1-CE1 3.86Å; F81-Y107 HydrophobicContact CE1-CE1 3.86Å; F81-Y107 AromaticContact CE1-CZ 3.88Å; F81-Y107 HydrophobicContact CE2-CE1 4.01Å; F81-Y107 AromaticContact CE2-CZ 4Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.27Å; F81-Y107 AromaticContact CZ-CE1 3.69Å; F81-Y107 HydrophobicContact CZ-CE1 3.69Å; F81-Y107 HydrophobicContact CZ-CE2 4.36Å; F81-Y107 AromaticContact CZ-CZ 3.43Å; F81-Y107 VanDerWaalsContact CZ-CZ 3.43Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.41Å; L94-Y107 HydrophobicContact CD2-CD1 3.46Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.46Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 3.92Å; D103-Y107 WeakPolarHBondContact O-CE2 3.2Å; D103-Y107 PolarHBondContact O-OH 2.95Å; A105-Y107 HydrophobicContact CB-CE2 3.87Å
108	Y	97.7	Very high	97.1	Very high	91 Å²	91	58.6 Å²	58.6	36%	0.357	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.1	-178.1	-58.4	-82.1	0	0	0	110.8	W54 Y55 Q57 V106	W54-Y108 WeakPolarHBondContact CA-O 3.4Å; W54-Y108 VanDerWaalsContact CE3-C 3.44Å; Y55-Y108 PolarHBondContact N-O 3.2Å; Y55-Y108 PolarHBondContact O-N 2.78Å; Q57-Y108 HydrophobicContact CB-CD2 4.49Å; Q57-Y108 HydrophobicContact CB-CE2 3.85Å; Q57-Y108 PolarHBondContact OE1-OH 3.09Å; Q57-Y108 VanDerWaalsContact OE1-OH 3.13Å; V106-Y108 HydrophobicContact CB-CE2 3.94Å; V106-Y108 HydrophobicContact CG1-CD1 4.46Å; V106-Y108 HydrophobicContact CG1-CD2 4.3Å; V106-Y108 HydrophobicContact CG1-CE1 3.81Å; V106-Y108 HydrophobicContact CG1-CE2 3.62Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.37Å
109	C	98.2	Very high	97	Very high	7 Å²	7	58.6 Å²	58.6	5%	0.047	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.7	167.9	-168.3	0	0	0	0	109.1	V23 Q25 C42 W54	V23-C109 WeakPolarHBondContact CG2-O 3.39Å; Q25-C109 HydrophobicContact CG-CB 3.9Å; C42-C109 HydrophobicContact CB-CB 3.56Å; C42-C109 WeakPolarHBondContact CB-SG 3.35Å; C42-C109 WeakPolarHBondContact SG-CB 3.03Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.37Å; W54-C109 HydrophobicContact CD2-CB 4.39Å; W54-C109 HydrophobicContact CE3-CB 4.23Å; W54-C109 HydrophobicContact CH2-CB 3.67Å; W54-C109 HydrophobicContact CZ2-CB 3.79Å; W54-C109 HydrophobicContact CZ3-CB 3.89Å
110	A	98.1	Very high	96.9	Very high	29 Å²	29	62.2 Å²	62.2	24%	0.24	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	159.4	174.6	0	0	0	0	0	111.3	F53 Y55	F53-A110 HydrophobicContact CB-CB 4.28Å; F53-A110 PolarHBondContact N-O 2.94Å; F53-A110 PolarHBondContact O-N 3.22Å; Y55-A110 HydrophobicContact CD2-CB 4.45Å; Y55-A110 HydrophobicContact CE2-CB 4.21Å
111	L	96.9	Very high	96.8	Very high	35 Å²	35	58.7 Å²	58.7	18%	0.183	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.8	169.7	68	84.7	0	0	0	109.4	D21 S22 V23 P50 T51 L52	D21-L111 HydrophobicContact CB-CD1 3.35Å; D21-L111 HydrophobicContact CB-CD2 3.99Å; D21-L111 HydrophobicContact CB-CG 4.27Å; S22-L111 WeakPolarHBondContact O-CD2 3.33Å; V23-L111 HydrophobicContact CG1-CB 4.2Å; V23-L111 HydrophobicContact CG1-CD2 3.72Å; V23-L111 HydrophobicContact CG1-CG 4.02Å; P50-L111 HydrophobicContact CB-CB 4Å; T51-L111 WeakPolarHBondContact O-CA 3.49Å; L52-L111 HydrophobicContact CD2-CB 3.71Å
112	G	91.8	Very high	96.9	Very high	87 Å²	87	49.6 Å²	49.6	90%	0.897	33%	0.334	S	S	*	.			trans	-165.2	0	172.5	0	0	0	0	0	113.3	P50 T51	P50-G112 CarbonylContact C-O 3.54Å; P50-G112 WeakPolarHBondContact CA-O 3.49Å; T51-G112 PolarHBondContact N-O 2.83Å; T51-G112 PolarHBondContact O-N 3.16Å

Retrieved 112 of 112 residues in 279.7 ms (Link to these results)

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