A0A075B6B9_MOUSE Loading...

T cell receptor alpha variable 6D-5

AlphaFold DB , UniProt , Accession A0A075B6B9, Species MOUSE (Mus musculus, Mouse), Gene Trav6d-5, Length 112 aa.

						>A0A075B6B9_MOUSE|A0A075B6B9|Trav6d-5
MNLCPELGILLFLMLGESNGDSVTQTKGPVTLSEGTSLTVNCSYETKQYPTLFWYVQYPGEGPQLLFKVPKANEKGSNRGFEATYDKGTTSFHLQKASVQESDSAVYYCVLG
					

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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	39.7	Very low	55.1	Low	223 Å²	223	147.2 Å²	147.2	100%	1.099	82%	0.815	S	S	*	*				0	109.8	0	-59.1	168	76.4	0	0	105.1
2	N	37.8	Very low	55.5	Low	157 Å²	157	148.1 Å²	148.1	84%	0.84	81%	0.805	S	S	*	*				-148.3	143.1	66.6	-70.7	-57.5	0	0	0	111.6
3	L	50.9	Low	56	Low	176 Å²	176	147.5 Å²	147.5	92%	0.921	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.6	133	169.9	-69.6	90.4	0	0	0	109.2
4	C	61.5	Low	56.3	Low	125 Å²	125	149.1 Å²	149.1	85%	0.845	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-101.4	129.4	166.4	-153.2	0	0	0	0	107.5
5	P	48.7	Very low	56	Low	106 Å²	106	150.5 Å²	150.5	69%	0.688	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.6	150.9	-157.1	30.5	-33.7	0	0	0	112.4	L7	P5-L7 PolarHBondContact O-N 3.01Å
6	E	53.2	Low	55.6	Low	194 Å²	194	145.1 Å²	145.1	91%	0.907	80%	0.799	S	S	*	*			trans	-50.6	113.9	175.9	-62.3	-173.2	160.1	0	0	110	G8	E6-G8 PolarHBondContact O-N 2.77Å
7	L	55.9	Low	55.4	Low	167 Å²	167	147.4 Å²	147.4	87%	0.874	80%	0.803	S	S	*	*			trans	-61.5	85.1	168.7	-89.5	136	0	0	0	108	P5 I9	P5-L7 PolarHBondContact O-N 3.01Å; L7-I9 PolarHBondContact O-N 3.07Å
8	G	61.6	Low	55.5	Low	68 Å²	68	145.2 Å²	145.2	70%	0.701	80%	0.8	S	S	*	*			trans	-58	108.9	165.9	0	0	0	0	0	107.9	E6 L10	E6-G8 PolarHBondContact O-N 2.77Å; G8-L10 VanDerWaalsContact C-N 3.28Å; G8-L10 PolarHBondContact O-N 2.95Å
9	I	69.5	Low	55.8	Low	147 Å²	147	145.6 Å²	145.6	75%	0.754	80%	0.801	S	S	*	*			trans	-70.1	92.4	173.1	-60.4	174.3	0	0	0	106.4	L7 L11	L7-I9 PolarHBondContact O-N 3.07Å; I9-L11 HydrophobicContact CG2-CD1 3.94Å; I9-L11 PolarHBondContact O-N 3.07Å
10	L	63.3	Low	57	Low	128 Å²	128	140.2 Å²	140.2	67%	0.67	78%	0.78	S	S	*	*			trans	-77.6	90.5	173.6	-173.5	58.5	0	0	0	108.2	G8 F12	G8-L10 VanDerWaalsContact C-N 3.28Å; G8-L10 PolarHBondContact O-N 2.95Å; L10-F12 HydrophobicContact CB-CE2 4.35Å; L10-F12 HydrophobicContact CD2-CD2 4.21Å; L10-F12 HydrophobicContact CD2-CE1 4.25Å; L10-F12 HydrophobicContact CD2-CE2 3.3Å; L10-F12 HydrophobicContact CD2-CZ 3.33Å; L10-F12 HydrophobicContact CG-CD2 3.96Å; L10-F12 HydrophobicContact CG-CE1 4.49Å; L10-F12 HydrophobicContact CG-CE2 3.55Å; L10-F12 HydrophobicContact CG-CZ 3.85Å; L10-F12 PolarHBondContact O-N 2.89Å
11	L	63.5	Low	58.6	Low	128 Å²	128	137 Å²	137	67%	0.67	76%	0.762	S	S	*	*			trans	-75.6	89.3	178.2	-127.7	128.9	0	0	0	108.8	I9 L13	I9-L11 HydrophobicContact CG2-CD1 3.94Å; I9-L11 PolarHBondContact O-N 3.07Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 HydrophobicContact CD2-CD2 3.8Å; L11-L13 HydrophobicContact CD2-CG 4.19Å; L11-L13 PolarHBondContact O-N 2.89Å
12	F	60.9	Low	61.2	Low	158 Å²	158	128.7 Å²	128.7	69%	0.693	73%	0.725	S	S	*	*			trans	-69.1	91.2	168.8	-74.1	-79.1	0	0	0	109	L10 M14	L10-F12 HydrophobicContact CB-CE2 4.35Å; L10-F12 HydrophobicContact CD2-CD2 4.21Å; L10-F12 HydrophobicContact CD2-CE1 4.25Å; L10-F12 HydrophobicContact CD2-CE2 3.3Å; L10-F12 HydrophobicContact CD2-CZ 3.33Å; L10-F12 HydrophobicContact CG-CD2 3.96Å; L10-F12 HydrophobicContact CG-CE1 4.49Å; L10-F12 HydrophobicContact CG-CE2 3.55Å; L10-F12 HydrophobicContact CG-CZ 3.85Å; L10-F12 PolarHBondContact O-N 2.89Å; F12-M14 PolarHBondContact O-N 2.93Å
13	L	61.2	Low	64	Low	140 Å²	140	123.7 Å²	123.7	73%	0.733	70%	0.701	S	S	*	*			trans	-70.7	89.6	164.8	-67.2	173.3	0	0	0	107.3	L11 L15	L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 HydrophobicContact CD2-CD2 3.8Å; L11-L13 HydrophobicContact CD2-CG 4.19Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 3.02Å
14	M	60.5	Low	66.3	Low	170 Å²	170	119.3 Å²	119.3	84%	0.837	68%	0.681	S	S	*	*			trans	-62.1	98	165.8	-62.8	-69.6	-80.7	0	0	106.6	F12 G16	F12-M14 PolarHBondContact O-N 2.93Å; M14-G16 PolarHBondContact O-N 3.28Å
15	L	52.3	Low	68	Low	171 Å²	171	116.1 Å²	116.1	90%	0.895	65%	0.654	S	S	*	*			trans	-68.2	77.5	166.3	-72.2	161	0	0	0	107	L13 E17	L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 3.02Å; L15-E17 PolarHBondContact O-N 3.25Å
16	G	49.4	Very low	70.1	Confident	64 Å²	64	113.4 Å²	113.4	66%	0.66	64%	0.635	S	S	*	*			trans	-70.5	118.1	167.2	0	0	0	0	0	108.1	M14 S18	M14-G16 PolarHBondContact O-N 3.28Å; G16-S18 PolarHBondContact O-N 2.75Å
17	E	51.4	Low	71.9	Confident	184 Å²	184	113.1 Å²	113.1	86%	0.86	63%	0.631	S	S	*	*			trans	-60.7	105.3	158.7	-88.6	178.7	145.5	0	0	107.2	L15 N19	L15-E17 PolarHBondContact O-N 3.25Å; E17-N19 PolarHBondContact O-N 3.02Å
18	S	57.6	Low	73.6	Confident	107 Å²	107	108 Å²	108	75%	0.748	62%	0.619	S	S	*	*			trans	-74.4	110.6	167.8	65	0	0	0	0	107.3	G16 G20	G16-S18 PolarHBondContact O-N 2.75Å; S18-G20 PolarHBondContact O-N 3.38Å
19	N	61.9	Low	75.2	Confident	153 Å²	153	111 Å²	111	82%	0.818	63%	0.625	S	S	*	*			trans	-69.3	52.9	157.6	-67.2	-59.7	0	0	0	109.5	E17	E17-N19 PolarHBondContact O-N 3.02Å
20	G	78.5	Confident	76.3	Confident	38 Å²	38	107.9 Å²	107.9	39%	0.392	61%	0.613	S	S	.	*			trans	-101.6	154.8	-166	0	0	0	0	0	111.7	S18	S18-G20 PolarHBondContact O-N 3.38Å
21	D	90.7	Very high	77.8	Confident	74 Å²	74	108.3 Å²	108.3	40%	0.396	62%	0.622	S	S	.	*			trans	-61.3	140.9	171.8	-65.9	-6.6	0	0	0	110.1	E45 T46 L111	D21-E45 CarbonylContact C-O 3.58Å; D21-E45 WeakPolarHBondContact CA-O 3.35Å; D21-T46 WeakPolarHBondContact OD1-CA 3.42Å; D21-T46 VanDerWaalsContact OD1-CB 3.28Å; D21-T46 WeakPolarHBondContact OD1-CB 3.36Å; D21-T46 PolarHBondContact OD1-OG1 2.8Å; D21-T46 WeakPolarHBondContact OD2-CB 3.26Å; D21-T46 PolarHBondContact OD2-OG1 3.24Å; D21-L111 HydrophobicContact CB-CD1 4.31Å; D21-L111 HydrophobicContact CB-CD2 3.56Å
22	S	95.2	Very high	79.4	Confident	47 Å²	47	105.8 Å²	105.8	33%	0.329	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142	160.8	-175.6	78.7	0	0	0	0	112.4	Y44 E45	S22-Y44 CarbonylContact O-C 3.51Å; S22-Y44 VanDerWaalsContact O-CA 3.27Å; S22-Y44 WeakPolarHBondContact O-CA 3.29Å; S22-E45 PolarHBondContact N-O 2.85Å; S22-E45 PolarHBondContact O-N 3.49Å
23	V	97	Very high	81.1	Confident	53 Å²	53	102.5 Å²	102.5	32%	0.321	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.7	140	170.4	-66.9	0	0	0	0	109	S43 L111	V23-S43 CarbonylContact C-O 3.56Å; V23-S43 VanDerWaalsContact CA-O 3.3Å; V23-S43 WeakPolarHBondContact CA-O 3.43Å; V23-L111 HydrophobicContact CG1-CB 3.67Å
24	T	97.6	Very high	82.8	Confident	83 Å²	83	102.2 Å²	102.2	51%	0.509	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	118.8	172.5	-64.7	0	0	0	0	108.5	C42 S43	T24-C42 CarbonylContact O-C 3.53Å; T24-C42 WeakPolarHBondContact O-CA 3.47Å; T24-S43 PolarHBondContact N-O 2.83Å; T24-S43 PolarHBondContact O-N 2.71Å; T24-S43 PolarHBondContact O-OG 3.31Å
25	Q	97.5	Very high	84.6	Confident	58 Å²	58	96.4 Å²	96.4	27%	0.271	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	165.8	-179.9	65.6	176.2	40.9	0	0	113.1	K27 N41 C42 Y107	Q25-K27 PolarHBondContact O-N 3.14Å; Q25-N41 CarbonylContact C-O 3.47Å; Q25-N41 WeakPolarHBondContact CA-O 3.28Å; Q25-N41 VanDerWaalsContact CB-O 3.28Å; Q25-N41 WeakPolarHBondContact CB-O 3.07Å; Q25-C42 HydrophobicContact CB-CB 4.47Å; Q25-Y107 PolarHBondContact NE2-O 2.89Å
26	T	93.8	Very high	86.8	Confident	50 Å²	50	91 Å²	91	31%	0.307	56%	0.557	S	S	.	*			trans	-50	128.3	171.3	-59.8	0	0	0	0	110	V30 N41	T26-V30 HydrophobicContact CG2-CG2 4.18Å; T26-N41 PolarHBondContact N-O 3.08Å; T26-N41 PolarHBondContact OG1-N 3.03Å
27	K	90.8	Very high	89.1	Confident	188 Å²	188	91.8 Å²	91.8	82%	0.817	55%	0.553	S	S	*	*			trans	-96.7	144	-177	-63.3	-177.3	-178.8	178.2	0	111	Q25	Q25-K27 PolarHBondContact O-N 3.14Å
28	G	92.3	Very high	91.3	Very high	59 Å²	59	83.9 Å²	83.9	61%	0.608	52%	0.517	S	S	*	.	S	Bend	trans	81	175.2	174.4	0	0	0	0	0	114
29	P	93.4	Very high	93.3	Very high	130 Å²	130	82.2 Å²	82.2	84%	0.844	50%	0.502	S	S	*	.			trans	-70.2	145	178.8	30	-34.2	0	0	0	111.1
30	V	93.2	Very high	95	Very high	83 Å²	83	75.8 Å²	75.8	50%	0.503	47%	0.468	S	S	.	.			trans	-117.5	126.6	171.7	-179.1	0	0	0	0	107.5	T26 L32 L38	T26-V30 HydrophobicContact CG2-CG2 4.18Å; V30-L32 HydrophobicContact CG1-CD1 4.3Å; V30-L32 HydrophobicContact CG1-CD2 4.13Å; V30-L32 HydrophobicContact CG1-CG 3.97Å; V30-L38 HydrophobicContact CG1-CD1 4.48Å
31	T	95.7	Very high	95.9	Very high	137 Å²	137	78.2 Å²	78.2	84%	0.84	47%	0.472	S	S	*	.			trans	-114.2	123.2	177.6	-54.3	0	0	0	0	109
32	L	95.5	Very high	96.3	Very high	74 Å²	74	74.7 Å²	74.7	39%	0.387	45%	0.453	S	S	.	.			trans	-129.7	154.4	-178.6	-60	175.6	0	0	0	109.7	V30 T36 L38 V99	V30-L32 HydrophobicContact CG1-CD1 4.3Å; V30-L32 HydrophobicContact CG1-CD2 4.13Å; V30-L32 HydrophobicContact CG1-CG 3.97Å; L32-T36 HydrophobicContact CD2-CG2 4.43Å; L32-L38 HydrophobicContact CD1-CB 3.91Å; L32-L38 HydrophobicContact CD1-CD1 3.67Å; L32-L38 HydrophobicContact CD1-CG 4.36Å; L32-V99 HydrophobicContact CB-CG2 4.15Å; L32-V99 HydrophobicContact CD1-CG1 4.41Å
33	S	97.6	Very high	96.4	Very high	90 Å²	90	74.7 Å²	74.7	63%	0.629	45%	0.453	S	S	*	.			trans	-77.8	147.2	168.1	-58.2	0	0	0	0	110.4	T36 V99	S33-T36 WeakPolarHBondContact O-CB 3.48Å; S33-T36 PolarHBondContact O-N 2.91Å; S33-T36 VanDerWaalsContact O-N 3.14Å; S33-T36 PolarHBondContact O-OG1 2.98Å; S33-V99 WeakPolarHBondContact O-CG2 3.13Å
34	E	97.6	Very high	96.4	Very high	133 Å²	133	73 Å²	73	62%	0.621	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	146.2	172.7	-65.7	-161.9	136.5	0	0	111.7	T36 V99 E101	E34-T36 PolarHBondContact O-N 2.91Å; E34-V99 WeakPolarHBondContact CA-O 3.44Å; E34-E101 WeakPolarHBondContact OE1-CB 3.34Å; E34-E101 PolarHBondContact OE1-N 2.93Å
35	G	98.1	Very high	96.3	Very high	48 Å²	48	75.8 Å²	75.8	50%	0.495	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-13.3	-175.9	0	0	0	0	0	114.7	S98 V99	G35-S98 WeakPolarHBondContact CA-OG 3.49Å; G35-V99 PolarHBondContact N-O 2.91Å
36	T	98.3	Very high	96.1	Very high	57 Å²	57	74.4 Å²	74.4	35%	0.35	44%	0.444	S	S	.	.			trans	-75.2	148	179.2	-50.1	0	0	0	0	110.9	L32 S33 E34 V99	L32-T36 HydrophobicContact CD2-CG2 4.43Å; S33-T36 WeakPolarHBondContact O-CB 3.48Å; S33-T36 PolarHBondContact O-N 2.91Å; S33-T36 VanDerWaalsContact O-N 3.14Å; S33-T36 PolarHBondContact O-OG1 2.98Å; E34-T36 PolarHBondContact O-N 2.91Å; T36-V99 WeakPolarHBondContact O-CG2 3.39Å; T36-V99 PolarHBondContact O-N 3.14Å
37	S	98.2	Very high	95.9	Very high	81 Å²	81	81.2 Å²	81.2	57%	0.566	47%	0.47	S	S	*	.			trans	-75.5	139.8	171.4	57.2	0	0	0	0	111.4	K96 A97	S37-K96 CarbonylContact C-O 3.58Å; S37-K96 WeakPolarHBondContact CA-O 3.33Å; S37-A97 WeakPolarHBondContact CA-O 3.24Å
38	L	97.5	Very high	95.8	Very high	19 Å²	19	79.2 Å²	79.2	10%	0.099	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140	176.1	171.2	67.5	0	0	0	109.9	V30 L32 V40 F81 Q95 K96 V99	V30-L38 HydrophobicContact CG1-CD1 4.48Å; L32-L38 HydrophobicContact CD1-CB 3.91Å; L32-L38 HydrophobicContact CD1-CD1 3.67Å; L32-L38 HydrophobicContact CD1-CG 4.36Å; L38-V40 HydrophobicContact CD1-CG2 3.81Å; L38-V40 HydrophobicContact CD2-CG2 4.16Å; L38-V40 HydrophobicContact CG-CG2 4.05Å; L38-F81 HydrophobicContact CD2-CE1 3.92Å; L38-Q95 VanDerWaalsContact O-CA 3.3Å; L38-Q95 WeakPolarHBondContact O-CA 3.26Å; L38-K96 HydrophobicContact CB-CB 4.45Å; L38-K96 PolarHBondContact N-O 3.04Å; L38-K96 PolarHBondContact O-N 2.98Å; L38-V99 HydrophobicContact CB-CG1 3.48Å; L38-V99 VanDerWaalsContact CB-CG1 3.48Å; L38-V99 HydrophobicContact CD2-CG1 4.13Å; L38-V99 HydrophobicContact CG-CG1 4.42Å
39	T	98	Very high	95.8	Very high	72 Å²	72	85.2 Å²	85.2	44%	0.442	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.2	162.2	-64.9	0	0	0	0	108.8	H93 L94 Q95	T39-H93 HydrophobicContact CG2-CB 4.32Å; T39-L94 CarbonylContact C-O 3.52Å; T39-L94 VanDerWaalsContact CA-O 3.31Å; T39-L94 WeakPolarHBondContact CA-O 3.28Å; T39-Q95 HydrophobicContact CG2-CG 4.23Å
40	V	98	Very high	95.8	Very high	18 Å²	18	79.3 Å²	79.3	11%	0.109	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	170.7	-174.9	0	0	0	0	107.3	L38 W54 H93 L94	L38-V40 HydrophobicContact CD1-CG2 3.81Å; L38-V40 HydrophobicContact CD2-CG2 4.16Å; L38-V40 HydrophobicContact CG-CG2 4.05Å; V40-W54 HydrophobicContact CB-CH2 4.26Å; V40-W54 HydrophobicContact CG1-CH2 3.85Å; V40-W54 HydrophobicContact CG1-CZ3 4.42Å; V40-H93 CarbonylContact O-C 3.57Å; V40-H93 WeakPolarHBondContact O-CA 3.49Å; V40-L94 HydrophobicContact CB-CB 4.16Å; V40-L94 PolarHBondContact N-O 3.25Å; V40-L94 PolarHBondContact O-N 3.04Å
41	N	98.1	Very high	96	Very high	88 Å²	88	77.1 Å²	77.1	47%	0.471	42%	0.417	S	S	.	.			trans	-72.5	135.7	-178.6	-66.9	-26	0	0	0	109.4	Q25 T26 H93	Q25-N41 CarbonylContact C-O 3.47Å; Q25-N41 WeakPolarHBondContact CA-O 3.28Å; Q25-N41 VanDerWaalsContact CB-O 3.28Å; Q25-N41 WeakPolarHBondContact CB-O 3.07Å; T26-N41 PolarHBondContact N-O 3.08Å; T26-N41 PolarHBondContact OG1-N 3.03Å; N41-H93 WeakPolarHBondContact CA-ND1 3.29Å
42	C	98.5	Very high	96.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.2	162.9	176.6	0	0	0	0	108.9	T24 Q25 W54 S91 F92 H93 C109	T24-C42 CarbonylContact O-C 3.53Å; T24-C42 WeakPolarHBondContact O-CA 3.47Å; Q25-C42 HydrophobicContact CB-CB 4.47Å; C42-W54 HydrophobicContact CB-CH2 4.09Å; C42-W54 HydrophobicContact CB-CZ2 3.59Å; C42-S91 WeakPolarHBondContact O-CA 3.25Å; C42-S91 WeakPolarHBondContact O-CB 3.36Å; C42-F92 PolarHBondContact O-N 2.96Å; C42-H93 PolarHBondContact N-ND1 3.36Å; C42-H93 VanDerWaalsContact N-ND1 3.19Å; C42-H93 PolarHBondContact O-ND1 2.95Å; C42-C109 HydrophobicContact CB-CB 3.55Å; C42-C109 WeakPolarHBondContact CB-SG 3.41Å; C42-C109 WeakPolarHBondContact SG-CB 3.4Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.79Å
43	S	98	Very high	96.3	Very high	47 Å²	47	69 Å²	69	33%	0.329	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	157	164.3	59.3	0	0	0	0	109.6	V23 T24 T90	V23-S43 CarbonylContact C-O 3.56Å; V23-S43 VanDerWaalsContact CA-O 3.3Å; V23-S43 WeakPolarHBondContact CA-O 3.43Å; T24-S43 PolarHBondContact N-O 2.83Å; T24-S43 PolarHBondContact O-N 2.71Å; T24-S43 PolarHBondContact O-OG 3.31Å; S43-T90 CarbonylContact C-O 3.6Å; S43-T90 VanDerWaalsContact CA-O 3.23Å; S43-T90 WeakPolarHBondContact CA-O 3.35Å; S43-T90 WeakPolarHBondContact CB-O 3.37Å
44	Y	95.9	Very high	96.3	Very high	18 Å²	18	64.7 Å²	64.7	7%	0.071	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.4	179.5	71.1	-93.8	0	0	0	110.9	S22 T46 P50 L52 Y85 T90 L111	S22-Y44 CarbonylContact O-C 3.51Å; S22-Y44 VanDerWaalsContact O-CA 3.27Å; S22-Y44 WeakPolarHBondContact O-CA 3.29Å; Y44-T46 HydrophobicContact CD2-CG2 3.7Å; Y44-T46 HydrophobicContact CE2-CG2 3.72Å; Y44-P50 HydrophobicContact CD2-CG 4.15Å; Y44-P50 HydrophobicContact CE2-CG 3.93Å; Y44-L52 HydrophobicContact CD1-CD1 3.78Å; Y44-L52 HydrophobicContact CD1-CD2 4.13Å; Y44-L52 HydrophobicContact CE1-CD1 3.77Å; Y44-L52 HydrophobicContact CG-CD2 4.26Å; Y44-Y85 HydrophobicContact CE1-CD2 4.24Å; Y44-Y85 AromaticContact CE1-CE2 3.87Å; Y44-Y85 HydrophobicContact CE1-CE2 3.87Å; Y44-Y85 AromaticContact CZ-CE2 3.78Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.32Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.37Å; Y44-T90 WeakPolarHBondContact CD1-O 3.15Å; Y44-T90 HydrophobicContact CE2-CG2 4.43Å; Y44-T90 PolarHBondContact N-O 3.11Å; Y44-T90 WeakPolarHBondContact O-CB 3.39Å; Y44-L111 HydrophobicContact CD2-CD1 3.84Å; Y44-L111 HydrophobicContact CG-CD1 4.14Å
45	E	95.8	Very high	96.4	Very high	141 Å²	141	61.8 Å²	61.8	66%	0.659	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.5	173.6	-172.9	172.9	-177	0	0	108.4	D21 S22	D21-E45 CarbonylContact C-O 3.58Å; D21-E45 WeakPolarHBondContact CA-O 3.35Å; S22-E45 PolarHBondContact N-O 2.85Å; S22-E45 PolarHBondContact O-N 3.49Å
46	T	93.3	Very high	96.4	Very high	29 Å²	29	59.5 Å²	59.5	18%	0.178	30%	0.298	C	S	.	.			trans	-160.4	156.2	176	177.1	0	0	0	0	109.6	D21 Y44 Q48 P50 L111	D21-T46 WeakPolarHBondContact OD1-CA 3.42Å; D21-T46 VanDerWaalsContact OD1-CB 3.28Å; D21-T46 WeakPolarHBondContact OD1-CB 3.36Å; D21-T46 PolarHBondContact OD1-OG1 2.8Å; D21-T46 WeakPolarHBondContact OD2-CB 3.26Å; D21-T46 PolarHBondContact OD2-OG1 3.24Å; Y44-T46 HydrophobicContact CD2-CG2 3.7Å; Y44-T46 HydrophobicContact CE2-CG2 3.72Å; T46-Q48 PolarHBondContact OG1-N 2.8Å; T46-P50 HydrophobicContact CG2-CB 4.29Å; T46-P50 HydrophobicContact CG2-CG 3.68Å; T46-L111 HydrophobicContact CG2-CD1 3.78Å
47	K	90.3	Very high	96.4	Very high	194 Å²	194	59.3 Å²	59.3	84%	0.843	29%	0.292	S	S	*	.	S	Bend	trans	-91.2	-3.5	171.3	-63.5	178.8	-177.2	172.3	0	112.8
48	Q	89.2	Confident	96.4	Very high	145 Å²	145	57.6 Å²	57.6	68%	0.678	27%	0.274	S	S	*	.	S	Bend	trans	-107.2	-172.3	-174.2	-61	-168.6	-40.6	0	0	112.3	T46 P50	T46-Q48 PolarHBondContact OG1-N 2.8Å; Q48-P50 WeakPolarHBondContact O-CD 3.31Å
49	Y	91	Very high	96.4	Very high	185 Å²	185	61.9 Å²	61.9	73%	0.725	30%	0.303	S	S	*	.			trans	-103.6	84.2	172	-65.4	-90.5	0	0	0	108.3
50	P	94.9	Very high	96.3	Very high	6 Å²	6	63 Å²	63	4%	0.039	33%	0.328	C	S	.	.			trans	-70.4	154.1	-171.3	29.8	-38.9	0	0	0	111.6	Y44 T46 Q48 L52 Y85 L111 G112	Y44-P50 HydrophobicContact CD2-CG 4.15Å; Y44-P50 HydrophobicContact CE2-CG 3.93Å; T46-P50 HydrophobicContact CG2-CB 4.29Å; T46-P50 HydrophobicContact CG2-CG 3.68Å; Q48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-L52 HydrophobicContact CB-CD2 4.09Å; P50-L52 HydrophobicContact CG-CD2 4Å; P50-L52 HydrophobicContact CG-CG 4.46Å; P50-Y85 WeakPolarHBondContact CD-OH 3.17Å; P50-Y85 WeakPolarHBondContact CG-OH 3.4Å; P50-Y85 WeakPolarHBondContact O-CE1 3.27Å; P50-Y85 PolarHBondContact O-OH 3.25Å; P50-L111 HydrophobicContact CB-CD1 3.74Å; P50-L111 HydrophobicContact CB-CD2 4.14Å; P50-L111 HydrophobicContact CB-CG 3.54Å; P50-L111 HydrophobicContact CG-CD1 3.96Å; P50-L111 HydrophobicContact CG-CG 4.3Å; P50-G112 WeakPolarHBondContact CA-O 3.3Å
51	T	97	Very high	96.3	Very high	38 Å²	38	66.5 Å²	66.5	23%	0.233	34%	0.344	C	S	.	.			trans	-86.4	132.3	155.8	-63.6	0	0	0	0	108	F53 P70 G112	T51-F53 HydrophobicContact CG2-CD2 4.25Å; T51-F53 HydrophobicContact CG2-CE1 3.85Å; T51-F53 HydrophobicContact CG2-CE2 3.52Å; T51-F53 HydrophobicContact CG2-CZ 3.28Å; T51-F53 WeakPolarHBondContact O-CD2 3.46Å; T51-F53 VanDerWaalsContact O-CE2 3.24Å; T51-F53 WeakPolarHBondContact O-CE2 3Å; T51-P70 HydrophobicContact CG2-CB 4.44Å; T51-G112 PolarHBondContact N-O 2.95Å; T51-G112 PolarHBondContact O-N 3.01Å
52	L	98.3	Very high	96.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.6	-179.8	-58.8	179	0	0	0	110.7	Y44 P50 K68 V69 Y85 F92 L111	Y44-L52 HydrophobicContact CD1-CD1 3.78Å; Y44-L52 HydrophobicContact CD1-CD2 4.13Å; Y44-L52 HydrophobicContact CE1-CD1 3.77Å; Y44-L52 HydrophobicContact CG-CD2 4.26Å; P50-L52 HydrophobicContact CB-CD2 4.09Å; P50-L52 HydrophobicContact CG-CD2 4Å; P50-L52 HydrophobicContact CG-CG 4.46Å; L52-K68 CarbonylContact O-C 3.56Å; L52-K68 WeakPolarHBondContact O-CA 3.47Å; L52-V69 PolarHBondContact N-O 3.45Å; L52-V69 PolarHBondContact O-N 2.7Å; L52-Y85 HydrophobicContact CD1-CD1 3.88Å; L52-Y85 HydrophobicContact CD1-CD2 3.58Å; L52-Y85 HydrophobicContact CD1-CE1 4.11Å; L52-Y85 HydrophobicContact CD1-CE2 3.88Å; L52-Y85 HydrophobicContact CD1-CG 3.62Å; L52-Y85 HydrophobicContact CG-CD1 4.14Å; L52-Y85 HydrophobicContact CG-CE1 4.16Å; L52-Y85 HydrophobicContact CG-CG 4.38Å; L52-F92 HydrophobicContact CB-CD1 3.56Å; L52-F92 HydrophobicContact CB-CD2 4.29Å; L52-F92 HydrophobicContact CB-CE1 3.58Å; L52-F92 HydrophobicContact CB-CE2 4.34Å; L52-F92 HydrophobicContact CB-CG 3.92Å; L52-F92 HydrophobicContact CB-CZ 3.99Å; L52-F92 HydrophobicContact CD1-CB 3.66Å; L52-F92 HydrophobicContact CD1-CD1 4.19Å; L52-F92 HydrophobicContact CD1-CD2 4.05Å; L52-F92 HydrophobicContact CD1-CG 3.72Å; L52-F92 HydrophobicContact CG-CD1 4.46Å; L52-F92 HydrophobicContact CG-CG 4.45Å; L52-L111 HydrophobicContact CD2-CB 4.17Å; L52-L111 HydrophobicContact CD2-CD1 4.45Å; L52-L111 HydrophobicContact CD2-CG 4.31Å
53	F	98.6	Very high	96.3	Very high	39 Å²	39	68.1 Å²	68.1	17%	0.171	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.2	-176	-51.1	-102	0	0	0	110	T51 Y55 L65 K68 V110	T51-F53 HydrophobicContact CG2-CD2 4.25Å; T51-F53 HydrophobicContact CG2-CE1 3.85Å; T51-F53 HydrophobicContact CG2-CE2 3.52Å; T51-F53 HydrophobicContact CG2-CZ 3.28Å; T51-F53 WeakPolarHBondContact O-CD2 3.46Å; T51-F53 VanDerWaalsContact O-CE2 3.24Å; T51-F53 WeakPolarHBondContact O-CE2 3Å; F53-Y55 HydrophobicContact CB-CD2 3.99Å; F53-Y55 HydrophobicContact CB-CE2 3.68Å; F53-Y55 HydrophobicContact CD1-CE2 4.32Å; F53-Y55 HydrophobicContact CG-CE2 4.17Å; F53-L65 HydrophobicContact CB-CD1 4.36Å; F53-L65 HydrophobicContact CD1-CD1 3.92Å; F53-K68 HydrophobicContact CD1-CB 3.47Å; F53-K68 VanDerWaalsContact CD1-CB 3.47Å; F53-K68 HydrophobicContact CE1-CB 3.66Å; F53-K68 HydrophobicContact CE1-CD 4.26Å; F53-K68 HydrophobicContact CG-CB 4.39Å; F53-V110 HydrophobicContact CB-CB 4.23Å; F53-V110 PolarHBondContact N-O 3.22Å; F53-V110 PolarHBondContact O-N 3.29Å
54	W	98.7	Very high	96.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129	158.1	-83.3	101.2	0	0	0	108.8	V40 C42 L66 F67 F92 L94 Y108 C109	V40-W54 HydrophobicContact CB-CH2 4.26Å; V40-W54 HydrophobicContact CG1-CH2 3.85Å; V40-W54 HydrophobicContact CG1-CZ3 4.42Å; C42-W54 HydrophobicContact CB-CH2 4.09Å; C42-W54 HydrophobicContact CB-CZ2 3.59Å; W54-L66 HydrophobicContact CB-CB 4.23Å; W54-L66 HydrophobicContact CB-CD2 4.24Å; W54-L66 WeakPolarHBondContact O-CA 3.34Å; W54-L66 VanDerWaalsContact O-CB 3.25Å; W54-L66 WeakPolarHBondContact O-CB 3.44Å; W54-L66 PolarHBondContact O-N 2.87Å; W54-F67 HydrophobicContact CB-CE2 4.13Å; W54-F67 HydrophobicContact CB-CZ 4.12Å; W54-F67 AromaticContact CD1-CE2 3.62Å; W54-F67 AromaticContact CD1-CZ 3.73Å; W54-F67 HydrophobicContact CG-CE2 4.24Å; W54-F67 HydrophobicContact CG-CZ 4.18Å; W54-F67 PolarHBondContact N-O 3.03Å; W54-F67 PolarHBondContact O-N 2.93Å; W54-F92 AromaticContact CD1-CD1 3.52Å; W54-F92 AromaticContact CD1-CE1 3.17Å; W54-F92 AromaticContact CD1-CZ 3.89Å; W54-F92 HydrophobicContact CG-CE1 4.19Å; W54-F92 WeakPolarHBondContact CZ2-O 3.33Å; W54-F92 AromaticContact NE1-CD1 3.29Å; W54-F92 VanDerWaalsContact NE1-CD1 3.29Å; W54-F92 AromaticContact NE1-CE1 3.5Å; W54-F92 PolarHBondContact NE1-O 2.92Å; W54-L94 HydrophobicContact CB-CD1 4.39Å; W54-L94 HydrophobicContact CD2-CB 3.97Å; W54-L94 HydrophobicContact CD2-CD1 4.07Å; W54-L94 HydrophobicContact CD2-CD2 4.09Å; W54-L94 HydrophobicContact CD2-CG 4.28Å; W54-L94 HydrophobicContact CE3-CB 4.36Å; W54-L94 HydrophobicContact CE3-CD2 3.95Å; W54-L94 HydrophobicContact CG-CD1 3.86Å; W54-L94 HydrophobicContact CH2-CB 3.97Å; W54-L94 HydrophobicContact CZ2-CB 3.55Å; W54-L94 HydrophobicContact CZ3-CB 4.35Å; W54-L94 HydrophobicContact CZ3-CD2 4.24Å; W54-Y108 WeakPolarHBondContact CA-O 3.43Å; W54-C109 HydrophobicContact CD2-CB 4.35Å; W54-C109 HydrophobicContact CE3-CB 4.25Å; W54-C109 HydrophobicContact CH2-CB 3.63Å; W54-C109 HydrophobicContact CZ2-CB 3.7Å; W54-C109 HydrophobicContact CZ3-CB 3.9Å; W54-C109 VanDerWaalsContact CZ3-N 3.31Å
55	Y	98.6	Very high	96.4	Very high	73 Å²	73	72.5 Å²	72.5	29%	0.286	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.8	167.9	-76.2	-103.1	0	0	0	109.6	F53 P63 Q64 L65 Y107 Y108 V110	F53-Y55 HydrophobicContact CB-CD2 3.99Å; F53-Y55 HydrophobicContact CB-CE2 3.68Å; F53-Y55 HydrophobicContact CD1-CE2 4.32Å; F53-Y55 HydrophobicContact CG-CE2 4.17Å; Y55-P63 HydrophobicContact CD1-CB 4.25Å; Y55-Q64 CarbonylContact C-O 3.53Å; Y55-Q64 VanDerWaalsContact CA-O 3.23Å; Y55-Q64 WeakPolarHBondContact CA-O 3.44Å; Y55-Q64 VanDerWaalsContact CD1-C 3.42Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.36Å; Y55-L65 HydrophobicContact CD1-CB 4.49Å; Y55-L65 HydrophobicContact CD2-CD1 4.41Å; Y55-L65 HydrophobicContact CE1-CB 4.09Å; Y55-L65 HydrophobicContact CE1-CD1 4.36Å; Y55-L65 HydrophobicContact CE2-CD1 3.95Å; Y55-Y107 WeakPolarHBondContact O-CA 3.2Å; Y55-Y108 PolarHBondContact N-O 3.02Å; Y55-Y108 PolarHBondContact O-N 3.34Å; Y55-V110 HydrophobicContact CD2-CB 4.45Å; Y55-V110 HydrophobicContact CD2-CG2 3.98Å; Y55-V110 HydrophobicContact CE2-CG2 4.46Å
56	V	98.4	Very high	96.5	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136	178.2	57.5	0	0	0	0	108.8	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CE2 4.35Å; V56-Y58 HydrophobicContact CG2-CE1 4.31Å; V56-Y58 HydrophobicContact CG2-CE2 4.09Å; V56-Q64 HydrophobicContact CG1-CB 4.36Å; V56-Q64 PolarHBondContact N-O 3.21Å; V56-Q64 PolarHBondContact O-N 3.48Å; V56-L66 HydrophobicContact CG1-CB 4.07Å; V56-L66 HydrophobicContact CG1-CD1 4.26Å; V56-A105 HydrophobicContact CG2-CB 3.59Å; V56-V106 CarbonylContact C-O 3.53Å; V56-V106 WeakPolarHBondContact CA-O 3.32Å; V56-Y107 HydrophobicContact CB-CD1 4.02Å; V56-Y107 HydrophobicContact CB-CE1 3.9Å; V56-Y107 HydrophobicContact CG2-CD1 4.01Å; V56-Y107 HydrophobicContact CG2-CE1 3.55Å; V56-Y107 HydrophobicContact CG2-CE2 4.41Å
57	Q	98.4	Very high	96.8	Very high	52 Å²	52	65.4 Å²	65.4	24%	0.243	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	107.6	179.2	-175.6	175.4	14.6	0	0	109.4	E61 A105 V106 Y108	Q57-E61 VanDerWaalsContact CG-O 3.29Å; Q57-E61 WeakPolarHBondContact CG-O 3.11Å; Q57-E61 PolarHBondContact NE2-O 2.85Å; Q57-A105 WeakPolarHBondContact O-CB 3.38Å; Q57-V106 HydrophobicContact CB-CB 4.43Å; Q57-V106 PolarHBondContact N-O 2.98Å; Q57-V106 PolarHBondContact O-N 2.78Å; Q57-Y108 HydrophobicContact CB-CE2 3.83Å; Q57-Y108 PolarHBondContact OE1-OH 2.91Å
58	Y	97.6	Very high	97.2	Very high	45 Å²	45	62.2 Å²	62.2	18%	0.176	34%	0.336	C	S	.	.			trans	-74.9	156	174	-65.1	-72.2	0	0	0	111.1	V56 G60 E61 R79 A105	V56-Y58 HydrophobicContact CG1-CE2 4.35Å; V56-Y58 HydrophobicContact CG2-CE1 4.31Å; V56-Y58 HydrophobicContact CG2-CE2 4.09Å; Y58-G60 PolarHBondContact O-N 2.86Å; Y58-E61 PolarHBondContact O-N 3.38Å; Y58-R79 PolarHBondContact OH-NE 2.8Å; Y58-R79 PolarHBondContact OH-NH2 3.43Å; Y58-A105 HydrophobicContact CD1-CB 3.71Å; Y58-A105 HydrophobicContact CE1-CB 3.88Å; Y58-A105 HydrophobicContact CG-CB 4.4Å
59	P	96.9	Very high	97.6	Very high	110 Å²	110	55.4 Å²	55.4	71%	0.714	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	126.4	177.2	-26.5	35.2	0	0	0	112.3	E61	P59-E61 VanDerWaalsContact C-N 3.25Å; P59-E61 PolarHBondContact O-N 3.21Å
60	G	97.6	Very high	97.9	Very high	94 Å²	94	49.5 Å²	49.5	97%	0.969	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1.1	179.9	0	0	0	0	0	115.3	Y58	Y58-G60 PolarHBondContact O-N 2.86Å
61	E	97.6	Very high	98	Very high	92 Å²	92	55.6 Å²	55.6	43%	0.43	31%	0.314	S	S	.	.	S	Bend	trans	-107.2	165	179.1	-61.5	-175.9	-163.7	0	0	112.2	Q57 Y58 P59 Q64	Q57-E61 VanDerWaalsContact CG-O 3.29Å; Q57-E61 WeakPolarHBondContact CG-O 3.11Å; Q57-E61 PolarHBondContact NE2-O 2.85Å; Y58-E61 PolarHBondContact O-N 3.38Å; P59-E61 VanDerWaalsContact C-N 3.25Å; P59-E61 PolarHBondContact O-N 3.21Å; E61-Q64 PolarHBondContact OE2-NE2 3.06Å
62	G	97.6	Very high	98	Very high	43 Å²	43	55.2 Å²	55.2	44%	0.443	32%	0.315	S	S	.	.			trans	-81.5	164.5	168.3	0	0	0	0	0	112.2	Q64	G62-Q64 PolarHBondContact O-N 2.97Å
63	P	98.1	Very high	97.8	Very high	80 Å²	80	61.5 Å²	61.5	52%	0.519	35%	0.349	S	S	.	.			trans	-59.3	130.5	174.5	-22.8	33.6	0	0	0	112.2	Y55	Y55-P63 HydrophobicContact CD1-CB 4.25Å
64	Q	98.4	Very high	97.8	Very high	78 Å²	78	63.4 Å²	63.4	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.4	177.5	-64.8	173.8	11.7	0	0	110.2	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.53Å; Y55-Q64 VanDerWaalsContact CA-O 3.23Å; Y55-Q64 WeakPolarHBondContact CA-O 3.44Å; Y55-Q64 VanDerWaalsContact CD1-C 3.42Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.36Å; V56-Q64 HydrophobicContact CG1-CB 4.36Å; V56-Q64 PolarHBondContact N-O 3.21Å; V56-Q64 PolarHBondContact O-N 3.48Å; E61-Q64 PolarHBondContact OE2-NE2 3.06Å; G62-Q64 PolarHBondContact O-N 2.97Å; Q64-L66 PolarHBondContact O-N 2.8Å
65	L	98.4	Very high	97.8	Very high	79 Å²	79	68.8 Å²	68.8	41%	0.414	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.2	174.3	-178.9	65.6	0	0	0	109.3	F53 Y55 F67	F53-L65 HydrophobicContact CB-CD1 4.36Å; F53-L65 HydrophobicContact CD1-CD1 3.92Å; Y55-L65 HydrophobicContact CD1-CB 4.49Å; Y55-L65 HydrophobicContact CD2-CD1 4.41Å; Y55-L65 HydrophobicContact CE1-CB 4.09Å; Y55-L65 HydrophobicContact CE1-CD1 4.36Å; Y55-L65 HydrophobicContact CE2-CD1 3.95Å; L65-F67 WeakPolarHBondContact CD1-O 3.36Å
66	L	98.5	Very high	97.7	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-55.6	170.7	-174.9	62.6	0	0	0	109.5	W54 V56 Q64 N78 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.23Å; W54-L66 HydrophobicContact CB-CD2 4.24Å; W54-L66 WeakPolarHBondContact O-CA 3.34Å; W54-L66 VanDerWaalsContact O-CB 3.25Å; W54-L66 WeakPolarHBondContact O-CB 3.44Å; W54-L66 PolarHBondContact O-N 2.87Å; V56-L66 HydrophobicContact CG1-CB 4.07Å; V56-L66 HydrophobicContact CG1-CD1 4.26Å; Q64-L66 PolarHBondContact O-N 2.8Å; L66-N78 HydrophobicContact CD1-CB 4.05Å; L66-N78 HydrophobicContact CG-CB 4.36Å; L66-N78 VanDerWaalsContact O-CB 3.29Å; L66-N78 WeakPolarHBondContact O-CB 3.36Å; L66-N78 PolarHBondContact O-ND2 2.83Å; L66-F81 HydrophobicContact CD2-CB 3.98Å; L66-F81 HydrophobicContact CD2-CD2 4.31Å; L66-F81 HydrophobicContact CD2-CG 4.11Å; L66-L94 HydrophobicContact CD2-CD1 4.08Å; L66-L94 HydrophobicContact CD2-CD2 4.44Å; L66-Y107 HydrophobicContact CD2-CD1 4.28Å; L66-Y107 HydrophobicContact CD2-CE1 4.1Å
67	F	98.6	Very high	97.7	Very high	16 Å²	16	69.2 Å²	69.2	7%	0.07	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	165.3	169.3	51.5	-103.6	0	0	0	111	W54 L65 V69 N78 F81 A83 F92 L94	W54-F67 HydrophobicContact CB-CE2 4.13Å; W54-F67 HydrophobicContact CB-CZ 4.12Å; W54-F67 AromaticContact CD1-CE2 3.62Å; W54-F67 AromaticContact CD1-CZ 3.73Å; W54-F67 HydrophobicContact CG-CE2 4.24Å; W54-F67 HydrophobicContact CG-CZ 4.18Å; W54-F67 PolarHBondContact N-O 3.03Å; W54-F67 PolarHBondContact O-N 2.93Å; L65-F67 WeakPolarHBondContact CD1-O 3.36Å; F67-V69 HydrophobicContact CD2-CG2 4.21Å; F67-N78 HydrophobicContact CB-CB 4.5Å; F67-N78 HydrophobicContact CD1-CB 3.92Å; F67-F81 HydrophobicContact CE1-CB 4.18Å; F67-A83 HydrophobicContact CE2-CB 3.8Å; F67-A83 HydrophobicContact CZ-CB 3.76Å; F67-F92 HydrophobicContact CD2-CZ 4.26Å; F67-F92 HydrophobicContact CE2-CE1 4.24Å; F67-F92 AromaticContact CE2-CZ 3.72Å; F67-F92 HydrophobicContact CE2-CZ 3.72Å; F67-L94 HydrophobicContact CE1-CD1 3.89Å; F67-L94 HydrophobicContact CZ-CD1 3.56Å
68	K	98.3	Very high	97.7	Very high	128 Å²	128	69.8 Å²	69.8	56%	0.557	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.7	175	70.3	178	-177.1	178.7	0	110.6	L52 F53	L52-K68 CarbonylContact O-C 3.56Å; L52-K68 WeakPolarHBondContact O-CA 3.47Å; F53-K68 HydrophobicContact CD1-CB 3.47Å; F53-K68 VanDerWaalsContact CD1-CB 3.47Å; F53-K68 HydrophobicContact CE1-CB 3.66Å; F53-K68 HydrophobicContact CE1-CD 4.26Å; F53-K68 HydrophobicContact CG-CB 4.39Å
69	V	98.4	Very high	97.7	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.012	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	102.2	178.9	-176.9	0	0	0	0	108.8	L52 F67 E74 G76 Y85 F92	L52-V69 PolarHBondContact N-O 3.45Å; L52-V69 PolarHBondContact O-N 2.7Å; F67-V69 HydrophobicContact CD2-CG2 4.21Å; V69-E74 HydrophobicContact CG1-CB 3.62Å; V69-G76 VanDerWaalsContact CG2-CA 3.47Å; V69-G76 VanDerWaalsContact CG2-N 3.31Å; V69-Y85 HydrophobicContact CG1-CD1 4.17Å; V69-F92 HydrophobicContact CB-CE2 3.88Å; V69-F92 HydrophobicContact CB-CZ 3.81Å; V69-F92 HydrophobicContact CG1-CE2 4.41Å; V69-F92 HydrophobicContact CG2-CE2 3.69Å; V69-F92 HydrophobicContact CG2-CZ 3.52Å
70	P	97.3	Very high	97.7	Very high	60 Å²	60	69.3 Å²	69.3	39%	0.39	40%	0.4	S	S	.	.			trans	-76.6	-22.8	-173.4	-17.4	32	0	0	0	115.4	T51	T51-P70 HydrophobicContact CG2-CB 4.44Å
71	K	97.1	Very high	97.8	Very high	135 Å²	135	64.8 Å²	64.8	59%	0.587	35%	0.354	S	S	*	.	S	Bend	trans	-129.2	148.1	-172.7	-53.4	-175.8	-167.3	158.8	0	112	E74 Y85	K71-E74 HydrophobicContact CB-CG 4.11Å; K71-E74 WeakPolarHBondContact CD-OE1 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3Å; K71-E74 PolarHBondContact O-N 3.19Å; K71-Y85 WeakPolarHBondContact O-CD1 3.23Å
72	A	96	Very high	97.9	Very high	30 Å²	30	63.3 Å²	63.3	25%	0.248	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	145.1	171.9	0	0	0	0	0	111.4	E74 Y85 K87	A72-E74 PolarHBondContact O-N 2.86Å; A72-Y85 HydrophobicContact CB-CD2 4.46Å; A72-Y85 HydrophobicContact CB-CE1 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.19Å; A72-K87 HydrophobicContact CB-CB 3.76Å; A72-K87 HydrophobicContact CB-CD 4.12Å; A72-K87 HydrophobicContact CB-CG 4.44Å
73	N	94.9	Very high	97.9	Very high	132 Å²	132	61.3 Å²	61.3	71%	0.706	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	2.9	-177.6	-45.5	-52.9	0	0	0	115.1	Y85	N73-Y85 WeakPolarHBondContact CA-O 3.33Å; N73-Y85 PolarHBondContact N-O 2.88Å
74	E	98	Very high	97.9	Very high	78 Å²	78	60.4 Å²	60.4	36%	0.364	32%	0.319	S	S	.	.			trans	-81.5	156.8	167.5	-68.8	-178.2	-177.7	0	0	110.6	V69 K71 A72 Y85	V69-E74 HydrophobicContact CG1-CB 3.62Å; K71-E74 HydrophobicContact CB-CG 4.11Å; K71-E74 WeakPolarHBondContact CD-OE1 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3Å; K71-E74 PolarHBondContact O-N 3.19Å; A72-E74 PolarHBondContact O-N 2.86Å; E74-Y85 PolarHBondContact O-N 2.86Å
75	K	98.1	Very high	97.9	Very high	113 Å²	113	56.8 Å²	56.8	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.7	179.4	-176.7	174.1	179.5	175.2	0	109.4	E82 A83	K75-E82 VanDerWaalsContact CE-CB 3.45Å; K75-E82 WeakPolarHBondContact CE-OE2 3.27Å; K75-E82 IonicContact NZ-OE1 2.68Å; K75-E82 PolarHBondContact NZ-OE1 2.89Å; K75-E82 IonicContact NZ-OE2 2.7Å; K75-E82 PolarHBondContact NZ-OE2 2.94Å; K75-A83 WeakPolarHBondContact CA-O 2.94Å
76	G	98.2	Very high	97.9	Very high	6 Å²	6	55.8 Å²	55.8	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.3	169.3	0	0	0	0	0	110	V69 E82 A83	V69-G76 VanDerWaalsContact CG2-CA 3.47Å; V69-G76 VanDerWaalsContact CG2-N 3.31Å; G76-E82 CarbonylContact O-C 3.58Å; G76-E82 WeakPolarHBondContact O-CA 3.04Å; G76-A83 PolarHBondContact N-O 2.91Å; G76-A83 PolarHBondContact O-N 2.84Å
77	S	98.4	Very high	97.7	Very high	77 Å²	77	60.1 Å²	60.1	54%	0.538	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.1	171.9	-178.5	0	0	0	0	111.7	F81	S77-F81 CarbonylContact C-O 3.58Å; S77-F81 WeakPolarHBondContact CA-O 3.3Å; S77-F81 WeakPolarHBondContact CB-O 3.23Å; S77-F81 PolarHBondContact OG-O 2.97Å
78	N	98.4	Very high	97.6	Very high	64 Å²	64	62.8 Å²	62.8	34%	0.342	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	143.6	172.1	-166.4	-0.8	0	0	0	109.7	L66 F67 G80 F81	L66-N78 HydrophobicContact CD1-CB 4.05Å; L66-N78 HydrophobicContact CG-CB 4.36Å; L66-N78 VanDerWaalsContact O-CB 3.29Å; L66-N78 WeakPolarHBondContact O-CB 3.36Å; L66-N78 PolarHBondContact O-ND2 2.83Å; F67-N78 HydrophobicContact CB-CB 4.5Å; F67-N78 HydrophobicContact CD1-CB 3.92Å; N78-G80 PolarHBondContact O-N 2.98Å; N78-G80 VanDerWaalsContact O-N 3.11Å; N78-F81 PolarHBondContact N-O 3.22Å; N78-F81 WeakPolarHBondContact O-CA 3.48Å; N78-F81 WeakPolarHBondContact O-CB 3.27Å; N78-F81 PolarHBondContact O-N 2.02Å
79	R	96.9	Very high	97.5	Very high	94 Å²	94	60.6 Å²	60.6	36%	0.355	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.6	178.3	-55.2	-160.9	-72.3	-96.4	15.4	114.7	Y58 F81 K96	Y58-R79 PolarHBondContact OH-NE 2.8Å; Y58-R79 PolarHBondContact OH-NH2 3.43Å; R79-F81 HydrophobicContact CB-CD2 4.36Å; R79-F81 PolarHBondContact O-N 2.88Å; R79-K96 PolarHBondContact O-NZ 2.8Å
80	G	97.9	Very high	97.4	Very high	50 Å²	50	63.7 Å²	63.7	52%	0.515	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-0.9	-177.3	0	0	0	0	0	114.8	N78	N78-G80 PolarHBondContact O-N 2.98Å; N78-G80 VanDerWaalsContact O-N 3.11Å
81	F	98.7	Very high	97.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.1	166.2	-68.4	-87.2	0	0	0	110.7	L38 L66 F67 S77 N78 R79 L94 Q95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CE1 3.92Å; L66-F81 HydrophobicContact CD2-CB 3.98Å; L66-F81 HydrophobicContact CD2-CD2 4.31Å; L66-F81 HydrophobicContact CD2-CG 4.11Å; F67-F81 HydrophobicContact CE1-CB 4.18Å; S77-F81 CarbonylContact C-O 3.58Å; S77-F81 WeakPolarHBondContact CA-O 3.3Å; S77-F81 WeakPolarHBondContact CB-O 3.23Å; S77-F81 PolarHBondContact OG-O 2.97Å; N78-F81 PolarHBondContact N-O 3.22Å; N78-F81 WeakPolarHBondContact O-CA 3.48Å; N78-F81 WeakPolarHBondContact O-CB 3.27Å; N78-F81 PolarHBondContact O-N 2.02Å; R79-F81 HydrophobicContact CB-CD2 4.36Å; R79-F81 PolarHBondContact O-N 2.88Å; F81-L94 HydrophobicContact CB-CD1 3.89Å; F81-L94 HydrophobicContact CD1-CD1 4.08Å; F81-L94 HydrophobicContact CD1-CD2 3.81Å; F81-L94 HydrophobicContact CD1-CG 3.79Å; F81-L94 HydrophobicContact CE1-CD2 4.17Å; F81-L94 HydrophobicContact CG-CD1 4.36Å; F81-Q95 CarbonylContact C-O 3.52Å; F81-Q95 VanDerWaalsContact CA-O 3.27Å; F81-Q95 WeakPolarHBondContact CA-O 3.44Å; F81-K96 HydrophobicContact CD1-CB 3.75Å; F81-K96 HydrophobicContact CD1-CD 4.01Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 3.95Å; F81-K96 HydrophobicContact CE1-CB 3.84Å; F81-K96 HydrophobicContact CE1-CD 3.73Å; F81-K96 HydrophobicContact CE1-CG 4.43Å; F81-K96 HydrophobicContact CE2-CD 3.63Å; F81-K96 HydrophobicContact CG-CB 4.38Å; F81-K96 HydrophobicContact CG-CD 4.12Å; F81-K96 HydrophobicContact CZ-CB 4.49Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; F81-D103 HydrophobicContact CE2-CB 4.48Å; F81-D103 VanDerWaalsContact CE2-OD1 3.27Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.37Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; F81-Y107 HydrophobicContact CD1-CE1 4.46Å; F81-Y107 AromaticContact CE1-CE1 3.99Å; F81-Y107 HydrophobicContact CE1-CE1 3.99Å; F81-Y107 AromaticContact CE1-CZ 3.97Å; F81-Y107 HydrophobicContact CE2-CE1 4.17Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.41Å; F81-Y107 AromaticContact CZ-CE1 3.86Å; F81-Y107 HydrophobicContact CZ-CE1 3.86Å; F81-Y107 HydrophobicContact CZ-CE2 4.49Å; F81-Y107 AromaticContact CZ-CZ 3.56Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.44Å
82	E	98.7	Very high	97.5	Very high	61 Å²	61	54.7 Å²	54.7	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.8	175.4	58.8	-176.5	-135.4	0	0	112.1	K75 G76 L94 Q95	K75-E82 VanDerWaalsContact CE-CB 3.45Å; K75-E82 WeakPolarHBondContact CE-OE2 3.27Å; K75-E82 IonicContact NZ-OE1 2.68Å; K75-E82 PolarHBondContact NZ-OE1 2.89Å; K75-E82 IonicContact NZ-OE2 2.7Å; K75-E82 PolarHBondContact NZ-OE2 2.94Å; G76-E82 CarbonylContact O-C 3.58Å; G76-E82 WeakPolarHBondContact O-CA 3.04Å; E82-L94 CarbonylContact O-C 3.55Å; E82-L94 WeakPolarHBondContact O-CA 3.46Å; E82-Q95 HydrophobicContact CG-CB 4.03Å; E82-Q95 PolarHBondContact N-O 3.11Å; E82-Q95 PolarHBondContact O-N 2.88Å
83	A	98.7	Very high	97.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	136.5	167.9	0	0	0	0	0	109.8	F67 K75 G76 F92 H93	F67-A83 HydrophobicContact CE2-CB 3.8Å; F67-A83 HydrophobicContact CZ-CB 3.76Å; K75-A83 WeakPolarHBondContact CA-O 2.94Å; G76-A83 PolarHBondContact N-O 2.91Å; G76-A83 PolarHBondContact O-N 2.84Å; A83-F92 HydrophobicContact CB-CD1 4.42Å; A83-F92 HydrophobicContact CB-CD2 3.76Å; A83-F92 HydrophobicContact CB-CE1 4.26Å; A83-F92 HydrophobicContact CB-CE2 3.55Å; A83-F92 HydrophobicContact CB-CG 4.21Å; A83-F92 HydrophobicContact CB-CZ 3.82Å; A83-H93 VanDerWaalsContact CA-O 3.32Å; A83-H93 WeakPolarHBondContact CA-O 3.45Å; A83-H93 WeakPolarHBondContact CB-O 3.43Å
84	T	98.5	Very high	97.8	Very high	61 Å²	61	50 Å²	50	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.8	175.1	-58.9	0	0	0	0	108.8	D86 F92	T84-D86 PolarHBondContact O-N 2.82Å; T84-D86 VanDerWaalsContact O-N 3.08Å; T84-F92 WeakPolarHBondContact O-CD2 3.21Å
85	Y	98.2	Very high	97.8	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.012	29%	0.287	C	S	.	.			trans	-76.8	93.7	171.9	-179.7	172.7	0	0	0	108.8	Y44 P50 L52 V69 K71 A72 N73 E74 K87	Y44-Y85 HydrophobicContact CE1-CD2 4.24Å; Y44-Y85 AromaticContact CE1-CE2 3.87Å; Y44-Y85 HydrophobicContact CE1-CE2 3.87Å; Y44-Y85 AromaticContact CZ-CE2 3.78Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.32Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.37Å; P50-Y85 WeakPolarHBondContact CD-OH 3.17Å; P50-Y85 WeakPolarHBondContact CG-OH 3.4Å; P50-Y85 WeakPolarHBondContact O-CE1 3.27Å; P50-Y85 PolarHBondContact O-OH 3.25Å; L52-Y85 HydrophobicContact CD1-CD1 3.88Å; L52-Y85 HydrophobicContact CD1-CD2 3.58Å; L52-Y85 HydrophobicContact CD1-CE1 4.11Å; L52-Y85 HydrophobicContact CD1-CE2 3.88Å; L52-Y85 HydrophobicContact CD1-CG 3.62Å; L52-Y85 HydrophobicContact CG-CD1 4.14Å; L52-Y85 HydrophobicContact CG-CE1 4.16Å; L52-Y85 HydrophobicContact CG-CG 4.38Å; V69-Y85 HydrophobicContact CG1-CD1 4.17Å; K71-Y85 WeakPolarHBondContact O-CD1 3.23Å; A72-Y85 HydrophobicContact CB-CD2 4.46Å; A72-Y85 HydrophobicContact CB-CE1 4.48Å; A72-Y85 HydrophobicContact CB-CE2 4.19Å; N73-Y85 WeakPolarHBondContact CA-O 3.33Å; N73-Y85 PolarHBondContact N-O 2.88Å; E74-Y85 PolarHBondContact O-N 2.86Å; Y85-K87 HydrophobicContact CE2-CB 4.24Å
86	D	97.6	Very high	97.9	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-90.4	105.4	174.5	-166.1	-35.2	0	0	0	110.5	T84 G88 T89 T90 S91	T84-D86 PolarHBondContact O-N 2.82Å; T84-D86 VanDerWaalsContact O-N 3.08Å; D86-G88 WeakPolarHBondContact OD1-CA 3.21Å; D86-G88 PolarHBondContact OD1-N 2.69Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact OD1-N 2.76Å; D86-T89 PolarHBondContact OD1-OG1 3.08Å; D86-T89 PolarHBondContact OD2-OG1 3.38Å; D86-T90 WeakPolarHBondContact O-CA 3.32Å; D86-T90 PolarHBondContact O-N 3.33Å; D86-T90 VanDerWaalsContact O-N 3.08Å; D86-S91 PolarHBondContact N-O 2.83Å; D86-S91 PolarHBondContact O-N 3.01Å
87	K	95.3	Very high	97.9	Very high	94 Å²	94	49 Å²	49	41%	0.409	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.7	176.6	-173.5	-174.9	179.7	-164.9	0	112.3	A72 Y85	A72-K87 HydrophobicContact CB-CB 3.76Å; A72-K87 HydrophobicContact CB-CD 4.12Å; A72-K87 HydrophobicContact CB-CG 4.44Å; Y85-K87 HydrophobicContact CE2-CB 4.24Å
88	G	95.6	Very high	97.9	Very high	73 Å²	73	48 Å²	48	75%	0.753	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-40.8	-178.2	0	0	0	0	0	111.9	D86	D86-G88 WeakPolarHBondContact OD1-CA 3.21Å; D86-G88 PolarHBondContact OD1-N 2.69Å
89	T	96.7	Very high	97.9	Very high	82 Å²	82	45.6 Å²	45.6	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5	176.5	56.7	0	0	0	0	113.8	D86 S91	D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact OD1-N 2.76Å; D86-T89 PolarHBondContact OD1-OG1 3.08Å; D86-T89 PolarHBondContact OD2-OG1 3.38Å; T89-S91 VanDerWaalsContact C-N 3.29Å; T89-S91 PolarHBondContact O-N 2.86Å; T89-S91 PolarHBondContact OG1-OG 2.96Å
90	T	96.6	Very high	97.9	Very high	67 Å²	67	46.3 Å²	46.3	41%	0.411	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	48.3	-176.6	55.1	0	0	0	0	112.5	S43 Y44 D86	S43-T90 CarbonylContact C-O 3.6Å; S43-T90 VanDerWaalsContact CA-O 3.23Å; S43-T90 WeakPolarHBondContact CA-O 3.35Å; S43-T90 WeakPolarHBondContact CB-O 3.37Å; Y44-T90 WeakPolarHBondContact CD1-O 3.15Å; Y44-T90 HydrophobicContact CE2-CG2 4.43Å; Y44-T90 PolarHBondContact N-O 3.11Å; Y44-T90 WeakPolarHBondContact O-CB 3.39Å; D86-T90 WeakPolarHBondContact O-CA 3.32Å; D86-T90 PolarHBondContact O-N 3.33Å; D86-T90 VanDerWaalsContact O-N 3.08Å
91	S	97.8	Very high	97.9	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.042	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-135.8	158.3	-171.5	72.2	0	0	0	0	114.9	C42 D86 T89 H93	C42-S91 WeakPolarHBondContact O-CA 3.25Å; C42-S91 WeakPolarHBondContact O-CB 3.36Å; D86-S91 PolarHBondContact N-O 2.83Å; D86-S91 PolarHBondContact O-N 3.01Å; T89-S91 VanDerWaalsContact C-N 3.29Å; T89-S91 PolarHBondContact O-N 2.86Å; T89-S91 PolarHBondContact OG1-OG 2.96Å; S91-H93 VanDerWaalsContact CB-NE2 3.26Å; S91-H93 WeakPolarHBondContact CB-NE2 3.25Å; S91-H93 PolarHBondContact OG-NE2 3.02Å
92	F	98.2	Very high	97.8	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.322	C	S	.	.			trans	-151.9	53.1	-176.4	-166.1	-129.3	0	0	0	111.2	C42 L52 W54 F67 V69 A83 T84 L94	C42-F92 PolarHBondContact O-N 2.96Å; L52-F92 HydrophobicContact CB-CD1 3.56Å; L52-F92 HydrophobicContact CB-CD2 4.29Å; L52-F92 HydrophobicContact CB-CE1 3.58Å; L52-F92 HydrophobicContact CB-CE2 4.34Å; L52-F92 HydrophobicContact CB-CG 3.92Å; L52-F92 HydrophobicContact CB-CZ 3.99Å; L52-F92 HydrophobicContact CD1-CB 3.66Å; L52-F92 HydrophobicContact CD1-CD1 4.19Å; L52-F92 HydrophobicContact CD1-CD2 4.05Å; L52-F92 HydrophobicContact CD1-CG 3.72Å; L52-F92 HydrophobicContact CG-CD1 4.46Å; L52-F92 HydrophobicContact CG-CG 4.45Å; W54-F92 AromaticContact CD1-CD1 3.52Å; W54-F92 AromaticContact CD1-CE1 3.17Å; W54-F92 AromaticContact CD1-CZ 3.89Å; W54-F92 HydrophobicContact CG-CE1 4.19Å; W54-F92 WeakPolarHBondContact CZ2-O 3.33Å; W54-F92 AromaticContact NE1-CD1 3.29Å; W54-F92 VanDerWaalsContact NE1-CD1 3.29Å; W54-F92 AromaticContact NE1-CE1 3.5Å; W54-F92 PolarHBondContact NE1-O 2.92Å; F67-F92 HydrophobicContact CD2-CZ 4.26Å; F67-F92 HydrophobicContact CE2-CE1 4.24Å; F67-F92 AromaticContact CE2-CZ 3.72Å; F67-F92 HydrophobicContact CE2-CZ 3.72Å; V69-F92 HydrophobicContact CB-CE2 3.88Å; V69-F92 HydrophobicContact CB-CZ 3.81Å; V69-F92 HydrophobicContact CG1-CE2 4.41Å; V69-F92 HydrophobicContact CG2-CE2 3.69Å; V69-F92 HydrophobicContact CG2-CZ 3.52Å; A83-F92 HydrophobicContact CB-CD1 4.42Å; A83-F92 HydrophobicContact CB-CD2 3.76Å; A83-F92 HydrophobicContact CB-CE1 4.26Å; A83-F92 HydrophobicContact CB-CE2 3.55Å; A83-F92 HydrophobicContact CB-CG 4.21Å; A83-F92 HydrophobicContact CB-CZ 3.82Å; T84-F92 WeakPolarHBondContact O-CD2 3.21Å; F92-L94 PolarHBondContact O-N 2.89Å
93	H	98.6	Very high	97.7	Very high	64 Å²	64	52.9 Å²	52.9	30%	0.296	31%	0.313	S	S	.	.			trans	-62.5	130.4	-175.7	-50	-58.1	0	0	0	111.5	T39 V40 N41 C42 A83 S91	T39-H93 HydrophobicContact CG2-CB 4.32Å; V40-H93 CarbonylContact O-C 3.57Å; V40-H93 WeakPolarHBondContact O-CA 3.49Å; N41-H93 WeakPolarHBondContact CA-ND1 3.29Å; C42-H93 PolarHBondContact N-ND1 3.36Å; C42-H93 VanDerWaalsContact N-ND1 3.19Å; C42-H93 PolarHBondContact O-ND1 2.95Å; A83-H93 VanDerWaalsContact CA-O 3.32Å; A83-H93 WeakPolarHBondContact CA-O 3.45Å; A83-H93 WeakPolarHBondContact CB-O 3.43Å; S91-H93 VanDerWaalsContact CB-NE2 3.26Å; S91-H93 WeakPolarHBondContact CB-NE2 3.25Å; S91-H93 PolarHBondContact OG-NE2 3.02Å
94	L	98.7	Very high	97.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.8	173.4	-170.2	67.2	0	0	0	109.3	T39 V40 W54 L66 F67 F81 E82 F92 Y107	T39-L94 CarbonylContact C-O 3.52Å; T39-L94 VanDerWaalsContact CA-O 3.31Å; T39-L94 WeakPolarHBondContact CA-O 3.28Å; V40-L94 HydrophobicContact CB-CB 4.16Å; V40-L94 PolarHBondContact N-O 3.25Å; V40-L94 PolarHBondContact O-N 3.04Å; W54-L94 HydrophobicContact CB-CD1 4.39Å; W54-L94 HydrophobicContact CD2-CB 3.97Å; W54-L94 HydrophobicContact CD2-CD1 4.07Å; W54-L94 HydrophobicContact CD2-CD2 4.09Å; W54-L94 HydrophobicContact CD2-CG 4.28Å; W54-L94 HydrophobicContact CE3-CB 4.36Å; W54-L94 HydrophobicContact CE3-CD2 3.95Å; W54-L94 HydrophobicContact CG-CD1 3.86Å; W54-L94 HydrophobicContact CH2-CB 3.97Å; W54-L94 HydrophobicContact CZ2-CB 3.55Å; W54-L94 HydrophobicContact CZ3-CB 4.35Å; W54-L94 HydrophobicContact CZ3-CD2 4.24Å; L66-L94 HydrophobicContact CD2-CD1 4.08Å; L66-L94 HydrophobicContact CD2-CD2 4.44Å; F67-L94 HydrophobicContact CE1-CD1 3.89Å; F67-L94 HydrophobicContact CZ-CD1 3.56Å; F81-L94 HydrophobicContact CB-CD1 3.89Å; F81-L94 HydrophobicContact CD1-CD1 4.08Å; F81-L94 HydrophobicContact CD1-CD2 3.81Å; F81-L94 HydrophobicContact CD1-CG 3.79Å; F81-L94 HydrophobicContact CE1-CD2 4.17Å; F81-L94 HydrophobicContact CG-CD1 4.36Å; E82-L94 CarbonylContact O-C 3.55Å; E82-L94 WeakPolarHBondContact O-CA 3.46Å; F92-L94 PolarHBondContact O-N 2.89Å; L94-Y107 HydrophobicContact CD2-CD1 3.43Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L94-Y107 HydrophobicContact CD2-CE1 3.99Å; L94-Y107 HydrophobicContact CD2-CG 3.92Å
95	Q	98.6	Very high	97.6	Very high	71 Å²	71	55 Å²	55	33%	0.332	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.9	-178.2	-58.9	-178.3	-54.6	0	0	110.6	L38 T39 F81 E82	L38-Q95 VanDerWaalsContact O-CA 3.3Å; L38-Q95 WeakPolarHBondContact O-CA 3.26Å; T39-Q95 HydrophobicContact CG2-CG 4.23Å; F81-Q95 CarbonylContact C-O 3.52Å; F81-Q95 VanDerWaalsContact CA-O 3.27Å; F81-Q95 WeakPolarHBondContact CA-O 3.44Å; E82-Q95 HydrophobicContact CG-CB 4.03Å; E82-Q95 PolarHBondContact N-O 3.11Å; E82-Q95 PolarHBondContact O-N 2.88Å
96	K	98.5	Very high	97.6	Very high	19 Å²	19	58.4 Å²	58.4	8%	0.083	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	130.8	169.1	-180	159.9	-177.7	160.5	0	108.8	S37 L38 R79 F81 S98 D103	S37-K96 CarbonylContact C-O 3.58Å; S37-K96 WeakPolarHBondContact CA-O 3.33Å; L38-K96 HydrophobicContact CB-CB 4.45Å; L38-K96 PolarHBondContact N-O 3.04Å; L38-K96 PolarHBondContact O-N 2.98Å; R79-K96 PolarHBondContact O-NZ 2.8Å; F81-K96 HydrophobicContact CD1-CB 3.75Å; F81-K96 HydrophobicContact CD1-CD 4.01Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 3.95Å; F81-K96 HydrophobicContact CE1-CB 3.84Å; F81-K96 HydrophobicContact CE1-CD 3.73Å; F81-K96 HydrophobicContact CE1-CG 4.43Å; F81-K96 HydrophobicContact CE2-CD 3.63Å; F81-K96 HydrophobicContact CG-CB 4.38Å; F81-K96 HydrophobicContact CG-CD 4.12Å; F81-K96 HydrophobicContact CZ-CB 4.49Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; K96-S98 WeakPolarHBondContact CE-O 3.42Å; K96-S98 PolarHBondContact O-N 3.36Å; K96-D103 WeakPolarHBondContact CD-OD2 3.4Å; K96-D103 WeakPolarHBondContact CE-OD2 3.48Å; K96-D103 IonicContact NZ-OD1 2.83Å; K96-D103 PolarHBondContact NZ-OD1 2.88Å; K96-D103 IonicContact NZ-OD2 2.91Å; K96-D103 PolarHBondContact NZ-OD2 2.91Å
97	A	98.4	Very high	97.6	Very high	86 Å²	86	56.7 Å²	56.7	71%	0.711	34%	0.342	S	S	*	.	S	Bend	trans	-69.2	-33.5	-173.7	0	0	0	0	0	113.3	S37	S37-A97 WeakPolarHBondContact CA-O 3.24Å
98	S	98.2	Very high	97.8	Very high	55 Å²	55	56.1 Å²	56.1	39%	0.385	34%	0.338	S	S	.	.	S	Bend	trans	-147.2	110.8	-177.9	170.8	0	0	0	0	108.7	G35 K96	G35-S98 WeakPolarHBondContact CA-OG 3.49Å; K96-S98 WeakPolarHBondContact CE-O 3.42Å; K96-S98 PolarHBondContact O-N 3.36Å
99	V	98.3	Very high	97.9	Very high	14 Å²	14	53 Å²	53	9%	0.085	30%	0.304	C	S	.	.			trans	-79.8	150	177.1	-60.3	0	0	0	0	111.8	L32 S33 E34 G35 T36 L38 D103	L32-V99 HydrophobicContact CB-CG2 4.15Å; L32-V99 HydrophobicContact CD1-CG1 4.41Å; S33-V99 WeakPolarHBondContact O-CG2 3.13Å; E34-V99 WeakPolarHBondContact CA-O 3.44Å; G35-V99 PolarHBondContact N-O 2.91Å; T36-V99 WeakPolarHBondContact O-CG2 3.39Å; T36-V99 PolarHBondContact O-N 3.14Å; L38-V99 HydrophobicContact CB-CG1 3.48Å; L38-V99 VanDerWaalsContact CB-CG1 3.48Å; L38-V99 HydrophobicContact CD2-CG1 4.13Å; L38-V99 HydrophobicContact CG-CG1 4.42Å; V99-D103 WeakPolarHBondContact CA-OD2 3.42Å
100	Q	98.1	Very high	98	Very high	109 Å²	109	51.7 Å²	51.7	51%	0.509	30%	0.296	S	S	.	.			trans	-123.7	160.4	175.5	-59.3	175.8	22.7	0	0	109.6	S102 D103	Q100-S102 PolarHBondContact O-N 2.99Å; Q100-S102 VanDerWaalsContact O-N 3.14Å; Q100-D103 PolarHBondContact N-OD2 2.68Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.07Å; Q100-D103 PolarHBondContact O-N 2.84Å
101	E	96.9	Very high	97.9	Very high	152 Å²	152	50 Å²	50	71%	0.71	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.6	-37.3	174.8	-174.4	179.1	-171.6	0	0	112.6	E34 D103 S104	E34-E101 WeakPolarHBondContact OE1-CB 3.34Å; E34-E101 PolarHBondContact OE1-N 2.93Å; E101-D103 PolarHBondContact O-N 3.01Å; E101-D103 VanDerWaalsContact O-N 3.11Å; E101-S104 VanDerWaalsContact O-CB 3.25Å; E101-S104 WeakPolarHBondContact O-CB 3.2Å; E101-S104 PolarHBondContact O-N 2.78Å; E101-S104 PolarHBondContact O-OG 3.08Å
102	S	96.9	Very high	97.6	Very high	79 Å²	79	53.7 Å²	53.7	55%	0.552	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.3	-11	177	66.4	0	0	0	0	115.1	Q100 S104	Q100-S102 PolarHBondContact O-N 2.99Å; Q100-S102 VanDerWaalsContact O-N 3.14Å; S102-S104 VanDerWaalsContact C-N 3.26Å
103	D	97.9	Very high	97.6	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.091	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-82.9	-1.2	172.9	-64.7	-44.1	0	0	0	113	F81 K96 V99 Q100 E101 A105 Y107	F81-D103 HydrophobicContact CE2-CB 4.48Å; F81-D103 VanDerWaalsContact CE2-OD1 3.27Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.37Å; F81-D103 HydrophobicContact CZ-CB 3.98Å; K96-D103 WeakPolarHBondContact CD-OD2 3.4Å; K96-D103 WeakPolarHBondContact CE-OD2 3.48Å; K96-D103 IonicContact NZ-OD1 2.83Å; K96-D103 PolarHBondContact NZ-OD1 2.88Å; K96-D103 IonicContact NZ-OD2 2.91Å; K96-D103 PolarHBondContact NZ-OD2 2.91Å; V99-D103 WeakPolarHBondContact CA-OD2 3.42Å; Q100-D103 PolarHBondContact N-OD2 2.68Å; Q100-D103 VanDerWaalsContact O-CB 3.26Å; Q100-D103 WeakPolarHBondContact O-CB 3.07Å; Q100-D103 PolarHBondContact O-N 2.84Å; E101-D103 PolarHBondContact O-N 3.01Å; E101-D103 VanDerWaalsContact O-N 3.11Å; D103-A105 PolarHBondContact O-N 2.74Å; D103-Y107 WeakPolarHBondContact O-CE2 3.16Å; D103-Y107 PolarHBondContact O-OH 3.38Å; D103-Y107 VanDerWaalsContact O-OH 3.08Å
104	S	97.4	Very high	97.5	Very high	78 Å²	78	55.9 Å²	55.9	55%	0.545	34%	0.342	S	S	.	.			trans	-66.3	99.3	178.5	-60.1	0	0	0	0	111.3	E101 S102	E101-S104 VanDerWaalsContact O-CB 3.25Å; E101-S104 WeakPolarHBondContact O-CB 3.2Å; E101-S104 PolarHBondContact O-N 2.78Å; E101-S104 PolarHBondContact O-OG 3.08Å; S102-S104 VanDerWaalsContact C-N 3.26Å
105	A	97.7	Very high	97.5	Very high	29 Å²	29	59.1 Å²	59.1	24%	0.24	36%	0.361	C	S	.	.	S	Bend	trans	-157.9	171.1	-177.2	0	0	0	0	0	111.1	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.59Å; Q57-A105 WeakPolarHBondContact O-CB 3.38Å; Y58-A105 HydrophobicContact CD1-CB 3.71Å; Y58-A105 HydrophobicContact CE1-CB 3.88Å; Y58-A105 HydrophobicContact CG-CB 4.4Å; D103-A105 PolarHBondContact O-N 2.74Å; A105-Y107 HydrophobicContact CB-CD2 4.46Å; A105-Y107 HydrophobicContact CB-CE2 3.82Å
106	V	97.8	Very high	97.4	Very high	73 Å²	73	58.4 Å²	58.4	44%	0.442	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.6	166.6	-170.7	0	0	0	0	109.1	V56 Q57 Y108	V56-V106 CarbonylContact C-O 3.53Å; V56-V106 WeakPolarHBondContact CA-O 3.32Å; Q57-V106 HydrophobicContact CB-CB 4.43Å; Q57-V106 PolarHBondContact N-O 2.98Å; Q57-V106 PolarHBondContact O-N 2.78Å; V106-Y108 HydrophobicContact CB-CE2 3.99Å; V106-Y108 HydrophobicContact CG1-CD2 4.39Å; V106-Y108 HydrophobicContact CG1-CE1 3.82Å; V106-Y108 HydrophobicContact CG1-CE2 3.67Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.21Å
107	Y	98.2	Very high	97.3	Very high	22 Å²	22	60.8 Å²	60.8	9%	0.086	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.3	179	-66.5	-96.2	0	0	0	110.4	Q25 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact NE2-O 2.89Å; Y55-Y107 WeakPolarHBondContact O-CA 3.2Å; V56-Y107 HydrophobicContact CB-CD1 4.02Å; V56-Y107 HydrophobicContact CB-CE1 3.9Å; V56-Y107 HydrophobicContact CG2-CD1 4.01Å; V56-Y107 HydrophobicContact CG2-CE1 3.55Å; V56-Y107 HydrophobicContact CG2-CE2 4.41Å; L66-Y107 HydrophobicContact CD2-CD1 4.28Å; L66-Y107 HydrophobicContact CD2-CE1 4.1Å; F81-Y107 HydrophobicContact CD1-CE1 4.46Å; F81-Y107 AromaticContact CE1-CE1 3.99Å; F81-Y107 HydrophobicContact CE1-CE1 3.99Å; F81-Y107 AromaticContact CE1-CZ 3.97Å; F81-Y107 HydrophobicContact CE2-CE1 4.17Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.41Å; F81-Y107 AromaticContact CZ-CE1 3.86Å; F81-Y107 HydrophobicContact CZ-CE1 3.86Å; F81-Y107 HydrophobicContact CZ-CE2 4.49Å; F81-Y107 AromaticContact CZ-CZ 3.56Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.44Å; L94-Y107 HydrophobicContact CD2-CD1 3.43Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L94-Y107 HydrophobicContact CD2-CE1 3.99Å; L94-Y107 HydrophobicContact CD2-CG 3.92Å; D103-Y107 WeakPolarHBondContact O-CE2 3.16Å; D103-Y107 PolarHBondContact O-OH 3.38Å; D103-Y107 VanDerWaalsContact O-OH 3.08Å; A105-Y107 HydrophobicContact CB-CD2 4.46Å; A105-Y107 HydrophobicContact CB-CE2 3.82Å
108	Y	98.1	Very high	97.2	Very high	83 Å²	83	59.1 Å²	59.1	33%	0.325	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119	-178.1	-55.8	-84.4	0	0	0	110.2	W54 Y55 Q57 V106	W54-Y108 WeakPolarHBondContact CA-O 3.43Å; Y55-Y108 PolarHBondContact N-O 3.02Å; Y55-Y108 PolarHBondContact O-N 3.34Å; Q57-Y108 HydrophobicContact CB-CE2 3.83Å; Q57-Y108 PolarHBondContact OE1-OH 2.91Å; V106-Y108 HydrophobicContact CB-CE2 3.99Å; V106-Y108 HydrophobicContact CG1-CD2 4.39Å; V106-Y108 HydrophobicContact CG1-CE1 3.82Å; V106-Y108 HydrophobicContact CG1-CE2 3.67Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.21Å
109	C	98.3	Very high	97.2	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.4	164.8	-167.5	0	0	0	0	108.4	C42 W54	C42-C109 HydrophobicContact CB-CB 3.55Å; C42-C109 WeakPolarHBondContact CB-SG 3.41Å; C42-C109 WeakPolarHBondContact SG-CB 3.4Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.79Å; W54-C109 HydrophobicContact CD2-CB 4.35Å; W54-C109 HydrophobicContact CE3-CB 4.25Å; W54-C109 HydrophobicContact CH2-CB 3.63Å; W54-C109 HydrophobicContact CZ2-CB 3.7Å; W54-C109 HydrophobicContact CZ3-CB 3.9Å; W54-C109 VanDerWaalsContact CZ3-N 3.31Å
110	V	97.7	Very high	97.1	Very high	55 Å²	55	62.9 Å²	62.9	33%	0.333	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.1	-179.5	-177.5	0	0	0	0	109.3	F53 Y55	F53-V110 HydrophobicContact CB-CB 4.23Å; F53-V110 PolarHBondContact N-O 3.22Å; F53-V110 PolarHBondContact O-N 3.29Å; Y55-V110 HydrophobicContact CD2-CB 4.45Å; Y55-V110 HydrophobicContact CD2-CG2 3.98Å; Y55-V110 HydrophobicContact CE2-CG2 4.46Å
111	L	95.2	Very high	97	Very high	31 Å²	31	59.1 Å²	59.1	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.2	168.4	176.7	152.6	0	0	0	108.5	D21 V23 Y44 T46 P50 L52	D21-L111 HydrophobicContact CB-CD1 4.31Å; D21-L111 HydrophobicContact CB-CD2 3.56Å; V23-L111 HydrophobicContact CG1-CB 3.67Å; Y44-L111 HydrophobicContact CD2-CD1 3.84Å; Y44-L111 HydrophobicContact CG-CD1 4.14Å; T46-L111 HydrophobicContact CG2-CD1 3.78Å; P50-L111 HydrophobicContact CB-CD1 3.74Å; P50-L111 HydrophobicContact CB-CD2 4.14Å; P50-L111 HydrophobicContact CB-CG 3.54Å; P50-L111 HydrophobicContact CG-CD1 3.96Å; P50-L111 HydrophobicContact CG-CG 4.3Å; L52-L111 HydrophobicContact CD2-CB 4.17Å; L52-L111 HydrophobicContact CD2-CD1 4.45Å; L52-L111 HydrophobicContact CD2-CG 4.31Å
112	G	92	Very high	97	Very high	84 Å²	84	50.6 Å²	50.6	87%	0.866	34%	0.335	S	S	*	.			trans	-146.6	0	173.5	0	0	0	0	0	114	P50 T51	P50-G112 WeakPolarHBondContact CA-O 3.3Å; T51-G112 PolarHBondContact N-O 2.95Å; T51-G112 PolarHBondContact O-N 3.01Å

Retrieved 112 of 112 residues in 140.1 ms (Link to these results)

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