A0A075B6D4_MOUSE Loading...

T cell receptor alpha variable 6-5

AlphaFold DB , UniProt , Accession A0A075B6D4, Species MOUSE (Mus musculus, Mouse), Gene Trav6-5, Length 111 aa.

						>A0A075B6D4_MOUSE|A0A075B6D4|Trav6-5
MNLCPELGILLFLMLESNGDSVTQTEGPVTLSEGTSLTVNCSYETKQYPTLFWYVQYPGEGPQLLFKVPKANEKGSNRGFEATYNKEATSFHLQKASVQESDSAVYYCALS
					

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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	42.8	Very low	51.2	Low	244 Å²	244	144.4 Å²	144.4	100%	1.202	80%	0.799	S	S	*	*				0	130	0	-72.5	162.8	68.4	0	0	107.2
2	N	33.3	Very low	51.7	Low	154 Å²	154	145.8 Å²	145.8	82%	0.824	79%	0.791	S	S	*	*			trans	-71.9	142.3	-172.4	-78.2	-56.9	0	0	0	113.1
3	L	47	Very low	52	Low	155 Å²	155	145.8 Å²	145.8	81%	0.812	79%	0.79	S	S	*	*			trans	46.3	115.2	141.7	-73	140.8	0	0	0	120.1
4	C	61.4	Low	51.9	Low	118 Å²	118	146.4 Å²	146.4	80%	0.797	79%	0.787	S	S	*	*			trans	-118.1	120.7	144.2	-160.7	0	0	0	0	107.5	E6	C4-E6 PolarHBondContact O-N 3.03Å
5	P	46	Very low	51.9	Low	98 Å²	98	147 Å²	147	64%	0.636	79%	0.789	S	S	*	*			trans	-83.2	106.5	-179.9	31.7	-27.2	0	0	0	108.4	L7	P5-L7 PolarHBondContact O-N 3.37Å
6	E	50.1	Low	51.7	Low	186 Å²	186	147.3 Å²	147.3	87%	0.869	78%	0.784	S	S	*	*			trans	-71.5	102.2	165.2	-68	-161.3	160.2	0	0	107.3	C4 G8	C4-E6 PolarHBondContact O-N 3.03Å; E6-G8 PolarHBondContact O-N 2.79Å
7	L	50	Low	52	Low	156 Å²	156	144.3 Å²	144.3	82%	0.817	78%	0.778	S	S	*	*			trans	-57.1	91.3	161.1	-86.8	102.5	0	0	0	107.2	P5 I9	P5-L7 PolarHBondContact O-N 3.37Å; L7-I9 PolarHBondContact O-N 2.83Å
8	G	57.3	Low	52.8	Low	69 Å²	69	143.3 Å²	143.3	71%	0.711	77%	0.772	S	S	*	*			trans	-59.8	103	164.5	0	0	0	0	0	107.1	E6 L10	E6-G8 PolarHBondContact O-N 2.79Å; G8-L10 PolarHBondContact O-N 2.93Å
9	I	61	Low	54.4	Low	146 Å²	146	137.9 Å²	137.9	75%	0.749	75%	0.753	S	S	*	*			trans	-63.8	94.5	169.9	-61.5	163.7	0	0	0	105.1	L7 L11	L7-I9 PolarHBondContact O-N 2.83Å; I9-L11 HydrophobicContact CG2-CD1 3.95Å; I9-L11 PolarHBondContact O-N 2.84Å
10	L	59.5	Low	56.3	Low	130 Å²	130	134.8 Å²	134.8	68%	0.681	74%	0.736	S	S	*	*			trans	-70.5	86.6	172.8	-172	63.9	0	0	0	106.5	G8 F12	G8-L10 PolarHBondContact O-N 2.93Å; L10-F12 HydrophobicContact CB-CE2 4.38Å; L10-F12 HydrophobicContact CD2-CD2 4.18Å; L10-F12 HydrophobicContact CD2-CE1 4.24Å; L10-F12 HydrophobicContact CD2-CE2 3.34Å; L10-F12 HydrophobicContact CD2-CZ 3.37Å; L10-F12 HydrophobicContact CG-CD2 4.08Å; L10-F12 HydrophobicContact CG-CE2 3.74Å; L10-F12 HydrophobicContact CG-CZ 4.04Å; L10-F12 PolarHBondContact O-N 2.85Å
11	L	55.2	Low	58.2	Low	132 Å²	132	130.5 Å²	130.5	69%	0.691	72%	0.716	S	S	*	*			trans	-66.6	87.2	174.8	-130.9	113.1	0	0	0	106.9	I9 L13	I9-L11 HydrophobicContact CG2-CD1 3.95Å; I9-L11 PolarHBondContact O-N 2.84Å; L11-L13 HydrophobicContact CD2-CD2 3.96Å; L11-L13 PolarHBondContact O-N 2.87Å
12	F	57.5	Low	60.8	Low	161 Å²	161	121.3 Å²	121.3	71%	0.706	67%	0.674	S	S	*	*			trans	-64.7	94.2	164.7	-76.1	-80.4	0	0	0	106.2	L10 M14	L10-F12 HydrophobicContact CB-CE2 4.38Å; L10-F12 HydrophobicContact CD2-CD2 4.18Å; L10-F12 HydrophobicContact CD2-CE1 4.24Å; L10-F12 HydrophobicContact CD2-CE2 3.34Å; L10-F12 HydrophobicContact CD2-CZ 3.37Å; L10-F12 HydrophobicContact CG-CD2 4.08Å; L10-F12 HydrophobicContact CG-CE2 3.74Å; L10-F12 HydrophobicContact CG-CZ 4.04Å; L10-F12 PolarHBondContact O-N 2.85Å; F12-M14 PolarHBondContact O-N 3.31Å
13	L	54.9	Low	63.8	Low	147 Å²	147	118.1 Å²	118.1	77%	0.77	66%	0.659	S	S	*	*			trans	-61.5	89.3	160	-65.7	172.7	0	0	0	105.3	L11 L15	L11-L13 HydrophobicContact CD2-CD2 3.96Å; L11-L13 PolarHBondContact O-N 2.87Å; L13-L15 PolarHBondContact O-N 3.24Å
14	M	50.2	Low	66.2	Low	153 Å²	153	114 Å²	114	75%	0.754	64%	0.636	S	S	*	*			trans	-65.6	81.5	163.1	-65.9	-108.6	-73.4	0	0	104.7	F12 E16	F12-M14 PolarHBondContact O-N 3.31Å; M14-E16 PolarHBondContact O-N 2.78Å
15	L	52.4	Low	67.7	Low	156 Å²	156	110.7 Å²	110.7	82%	0.817	61%	0.613	S	S	*	*			trans	-70.4	83.7	167.9	-166.9	75.7	0	0	0	104.7	L13 S17	L13-L15 PolarHBondContact O-N 3.24Å; L15-S17 PolarHBondContact O-N 2.77Å
16	E	48.4	Very low	69.7	Low	151 Å²	151	114.7 Å²	114.7	71%	0.706	62%	0.623	S	S	*	*			trans	-62.4	92.2	165.7	-74.5	-177.9	174.6	0	0	106.3	M14 N18	M14-E16 PolarHBondContact O-N 2.78Å; E16-N18 PolarHBondContact O-N 2.72Å
17	S	57.9	Low	71.6	Confident	97 Å²	97	108.6 Å²	108.6	68%	0.678	61%	0.61	S	S	*	*			trans	-67	110	169.9	63.9	0	0	0	0	106.2	L15 G19	L15-S17 PolarHBondContact O-N 2.77Å; S17-G19 PolarHBondContact O-N 3.33Å
18	N	65.7	Low	73.6	Confident	126 Å²	126	107.3 Å²	107.3	67%	0.674	61%	0.611	S	S	*	*			trans	-71.9	53.3	163.1	-69.1	-82.4	0	0	0	109	E16 K46	E16-N18 PolarHBondContact O-N 2.72Å; N18-K46 PolarHBondContact OD1-NZ 3.14Å
19	G	83.3	Confident	75.3	Confident	41 Å²	41	107.9 Å²	107.9	42%	0.423	60%	0.6	S	S	.	*			trans	-92.5	142.2	-177.7	0	0	0	0	0	109.8	S17	S17-G19 PolarHBondContact O-N 3.33Å
20	D	91.9	Very high	76.9	Confident	75 Å²	75	107.3 Å²	107.3	40%	0.401	60%	0.604	S	S	.	*			trans	-69.5	140.9	165.4	-57.7	-38.4	0	0	0	109	E44 T45 L110	D20-E44 CarbonylContact C-O 3.51Å; D20-E44 VanDerWaalsContact CA-O 3.25Å; D20-E44 WeakPolarHBondContact CA-O 3.48Å; D20-T45 VanDerWaalsContact OD1-CA 3.27Å; D20-T45 WeakPolarHBondContact OD1-CA 3Å; D20-T45 WeakPolarHBondContact OD1-CB 3.44Å; D20-T45 PolarHBondContact OD1-OG1 2.82Å; D20-L110 HydrophobicContact CB-CD1 3.42Å; D20-L110 VanDerWaalsContact CB-CD1 3.42Å; D20-L110 HydrophobicContact CB-CD2 4.06Å; D20-L110 HydrophobicContact CB-CG 4.23Å
21	S	95.8	Very high	78.6	Confident	46 Å²	46	104.7 Å²	104.7	32%	0.322	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.4	156.9	-177.4	76.6	0	0	0	0	112.3	Y43 E44 L110	S21-Y43 CarbonylContact O-C 3.56Å; S21-Y43 VanDerWaalsContact O-CA 3.26Å; S21-Y43 WeakPolarHBondContact O-CA 3.3Å; S21-E44 PolarHBondContact N-O 2.9Å; S21-E44 PolarHBondContact O-N 3.41Å; S21-L110 WeakPolarHBondContact O-CD2 3.14Å
22	V	97.1	Very high	80.6	Confident	51 Å²	51	102.7 Å²	102.7	31%	0.309	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121	141.7	166.7	-67.4	0	0	0	0	109.2	S42 C108 L110	V22-S42 CarbonylContact C-O 3.56Å; V22-S42 VanDerWaalsContact CA-O 3.28Å; V22-S42 WeakPolarHBondContact CA-O 3.29Å; V22-C108 WeakPolarHBondContact CG2-O 3.45Å; V22-L110 HydrophobicContact CG1-CB 4.29Å; V22-L110 HydrophobicContact CG1-CD2 3.72Å; V22-L110 HydrophobicContact CG1-CG 4.3Å
23	T	97.6	Very high	82.5	Confident	86 Å²	86	101.3 Å²	101.3	53%	0.528	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	169.7	-60.5	0	0	0	0	108.5	C41 S42	T23-C41 CarbonylContact O-C 3.54Å; T23-C41 WeakPolarHBondContact O-CA 3.29Å; T23-S42 PolarHBondContact N-O 3.01Å; T23-S42 PolarHBondContact O-N 2.96Å; T23-S42 PolarHBondContact O-OG 3.02Å
24	Q	97	Very high	84.5	Confident	68 Å²	68	96.6 Å²	96.6	32%	0.318	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	169.5	-177.8	66.1	179.4	4.9	0	0	112.4	E26 N40	Q24-E26 PolarHBondContact O-N 3.46Å; Q24-N40 CarbonylContact C-O 3.52Å; Q24-N40 WeakPolarHBondContact CA-O 3.38Å; Q24-N40 WeakPolarHBondContact CB-O 3.44Å
25	T	92	Very high	86.8	Confident	50 Å²	50	92 Å²	92	31%	0.307	55%	0.551	S	S	.	*			trans	-56.7	127.7	174.2	-53.4	0	0	0	0	110	V29 N40	T25-V29 HydrophobicContact CG2-CG2 4.31Å; T25-N40 PolarHBondContact N-O 2.87Å; T25-N40 WeakPolarHBondContact OG1-CB 3.44Å; T25-N40 PolarHBondContact OG1-N 2.92Å; T25-N40 PolarHBondContact OG1-O 3.14Å
26	E	88.6	Confident	89	Confident	181 Å²	181	88.6 Å²	88.6	85%	0.846	54%	0.54	S	S	*	.			trans	-86.3	144	-178	-64.4	-174.4	174.8	0	0	112.1	Q24	Q24-E26 PolarHBondContact O-N 3.46Å
27	G	90.9	Very high	91.3	Very high	59 Å²	59	82.3 Å²	82.3	61%	0.608	51%	0.511	S	S	*	.	S	Bend	trans	78.2	177	173.4	0	0	0	0	0	115
28	P	92.3	Very high	93.2	Very high	129 Å²	129	81.1 Å²	81.1	84%	0.838	50%	0.499	S	S	*	.			trans	-72.7	140.3	178.9	29.9	-33.5	0	0	0	111.2
29	V	92.4	Very high	94.7	Very high	80 Å²	80	76 Å²	76	49%	0.485	47%	0.473	S	S	.	.			trans	-109.4	124	172.1	-179.5	0	0	0	0	108.2	T25 L31 L37	T25-V29 HydrophobicContact CG2-CG2 4.31Å; V29-L31 HydrophobicContact CG1-CD1 4.24Å; V29-L31 HydrophobicContact CG1-CD2 4.2Å; V29-L31 HydrophobicContact CG1-CG 3.95Å; V29-L37 HydrophobicContact CG1-CD1 4.24Å
30	T	94.9	Very high	95.4	Very high	135 Å²	135	78 Å²	78	83%	0.828	47%	0.474	S	S	*	.			trans	-113.9	122.6	176.9	-52.9	0	0	0	0	109.4
31	L	94.7	Very high	95.7	Very high	74 Å²	74	74.5 Å²	74.5	39%	0.387	46%	0.455	S	S	.	.			trans	-129.3	155	-178.9	-60.6	175.5	0	0	0	109.9	V29 T35 L37 V98	V29-L31 HydrophobicContact CG1-CD1 4.24Å; V29-L31 HydrophobicContact CG1-CD2 4.2Å; V29-L31 HydrophobicContact CG1-CG 3.95Å; L31-T35 HydrophobicContact CD2-CG2 4.47Å; L31-L37 HydrophobicContact CD1-CB 3.85Å; L31-L37 HydrophobicContact CD1-CD1 3.61Å; L31-L37 HydrophobicContact CD1-CG 4.31Å; L31-V98 HydrophobicContact CB-CG2 4.14Å; L31-V98 HydrophobicContact CD1-CG1 4.41Å
32	S	97.1	Very high	95.8	Very high	90 Å²	90	74.6 Å²	74.6	63%	0.629	46%	0.456	S	S	*	.			trans	-78.1	146.3	168.4	-57	0	0	0	0	110.4	T35 V98	S32-T35 WeakPolarHBondContact O-CB 3.43Å; S32-T35 PolarHBondContact O-N 2.96Å; S32-T35 VanDerWaalsContact O-N 3.14Å; S32-T35 PolarHBondContact O-OG1 2.95Å; S32-V98 WeakPolarHBondContact O-CG2 3.4Å
33	E	97	Very high	95.8	Very high	133 Å²	133	72.9 Å²	72.9	62%	0.621	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	145.6	172.7	-69.5	-163.3	133.8	0	0	111.8	T35 V98 E100	E33-T35 PolarHBondContact O-N 3.13Å; E33-V98 WeakPolarHBondContact CA-O 3.25Å; E33-E100 WeakPolarHBondContact OE1-CB 3.14Å; E33-E100 PolarHBondContact OE1-N 3.05Å
34	G	97.8	Very high	95.7	Very high	48 Å²	48	75.4 Å²	75.4	50%	0.495	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-12.3	-176.2	0	0	0	0	0	114.6	S97 V98	G34-S97 WeakPolarHBondContact CA-OG 3.2Å; G34-V98 PolarHBondContact N-O 2.92Å
35	T	98.1	Very high	95.6	Very high	57 Å²	57	73.7 Å²	73.7	35%	0.35	44%	0.444	S	S	.	.			trans	-76.9	148.8	179	-49.3	0	0	0	0	110.8	L31 S32 E33 V98	L31-T35 HydrophobicContact CD2-CG2 4.47Å; S32-T35 WeakPolarHBondContact O-CB 3.43Å; S32-T35 PolarHBondContact O-N 2.96Å; S32-T35 VanDerWaalsContact O-N 3.14Å; S32-T35 PolarHBondContact O-OG1 2.95Å; E33-T35 PolarHBondContact O-N 3.13Å; T35-V98 WeakPolarHBondContact O-CG2 3.46Å; T35-V98 PolarHBondContact O-N 3.11Å
36	S	98.1	Very high	95.5	Very high	83 Å²	83	79.5 Å²	79.5	58%	0.58	47%	0.465	S	S	*	.			trans	-75.2	139.9	171.1	55.8	0	0	0	0	111.3	K95 A96	S36-K95 CarbonylContact C-O 3.52Å; S36-K95 WeakPolarHBondContact CA-O 3.43Å; S36-A96 WeakPolarHBondContact CA-O 3.26Å
37	L	97	Very high	95.5	Very high	20 Å²	20	77.1 Å²	77.1	11%	0.105	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.9	175.4	171.5	68.1	0	0	0	109.8	V29 L31 V39 F80 Q94 K95 V98	V29-L37 HydrophobicContact CG1-CD1 4.24Å; L31-L37 HydrophobicContact CD1-CB 3.85Å; L31-L37 HydrophobicContact CD1-CD1 3.61Å; L31-L37 HydrophobicContact CD1-CG 4.31Å; L37-V39 HydrophobicContact CD1-CG2 3.79Å; L37-V39 HydrophobicContact CD2-CG2 4.16Å; L37-V39 HydrophobicContact CG-CG2 4.04Å; L37-F80 HydrophobicContact CD2-CE1 3.93Å; L37-Q94 VanDerWaalsContact O-CA 3.3Å; L37-Q94 WeakPolarHBondContact O-CA 3.34Å; L37-K95 HydrophobicContact CB-CB 4.44Å; L37-K95 PolarHBondContact N-O 2.9Å; L37-K95 PolarHBondContact O-N 2.76Å; L37-V98 HydrophobicContact CB-CG1 3.46Å; L37-V98 VanDerWaalsContact CB-CG1 3.46Å; L37-V98 HydrophobicContact CD2-CG1 4.12Å; L37-V98 HydrophobicContact CG-CG1 4.41Å
38	T	97.8	Very high	95.6	Very high	71 Å²	71	82.9 Å²	82.9	44%	0.436	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.5	162.1	-65.1	0	0	0	0	108.4	H92 L93 Q94	T38-H92 HydrophobicContact CG2-CB 4.33Å; T38-L93 CarbonylContact C-O 3.58Å; T38-L93 VanDerWaalsContact CA-O 3.29Å; T38-L93 WeakPolarHBondContact CA-O 3.43Å; T38-Q94 HydrophobicContact CG2-CG 4.22Å
39	V	97.8	Very high	95.8	Very high	18 Å²	18	76.8 Å²	76.8	11%	0.109	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.1	170.3	-175.3	0	0	0	0	107.4	L37 C41 W53 H92 L93	L37-V39 HydrophobicContact CD1-CG2 3.79Å; L37-V39 HydrophobicContact CD2-CG2 4.16Å; L37-V39 HydrophobicContact CG-CG2 4.04Å; V39-C41 PolarHBondContact O-N 3.12Å; V39-W53 HydrophobicContact CB-CH2 4.27Å; V39-W53 HydrophobicContact CG1-CH2 3.88Å; V39-W53 HydrophobicContact CG1-CZ3 4.48Å; V39-H92 CarbonylContact O-C 3.51Å; V39-H92 WeakPolarHBondContact O-CA 3.39Å; V39-L93 HydrophobicContact CB-CB 4.18Å; V39-L93 PolarHBondContact N-O 3.34Å; V39-L93 PolarHBondContact O-N 3.05Å
40	N	98	Very high	96	Very high	85 Å²	85	74.6 Å²	74.6	46%	0.455	41%	0.406	S	S	.	.			trans	-67.5	133.8	177.9	-62.3	-24.4	0	0	0	109.4	Q24 T25	Q24-N40 CarbonylContact C-O 3.52Å; Q24-N40 WeakPolarHBondContact CA-O 3.38Å; Q24-N40 WeakPolarHBondContact CB-O 3.44Å; T25-N40 PolarHBondContact N-O 2.87Å; T25-N40 WeakPolarHBondContact OG1-CB 3.44Å; T25-N40 PolarHBondContact OG1-N 2.92Å; T25-N40 PolarHBondContact OG1-O 3.14Å
41	C	98.3	Very high	96.2	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.007	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.6	163.2	175.5	0	0	0	0	109.1	T23 V39 W53 S90 F91 H92 C108	T23-C41 CarbonylContact O-C 3.54Å; T23-C41 WeakPolarHBondContact O-CA 3.29Å; V39-C41 PolarHBondContact O-N 3.12Å; C41-W53 HydrophobicContact CB-CH2 3.98Å; C41-W53 HydrophobicContact CB-CZ2 3.49Å; C41-W53 VanDerWaalsContact CB-CZ2 3.49Å; C41-S90 WeakPolarHBondContact O-CA 3.41Å; C41-F91 PolarHBondContact O-N 2.78Å; C41-H92 PolarHBondContact N-ND1 2.88Å; C41-H92 VanDerWaalsContact N-ND1 3.11Å; C41-H92 PolarHBondContact O-CE1 3.02Å; C41-H92 VanDerWaalsContact O-CE1 3.27Å; C41-H92 PolarHBondContact O-ND1 3.11Å; C41-C108 HydrophobicContact CB-CB 3.58Å; C41-C108 WeakPolarHBondContact CB-SG 3.35Å; C41-C108 WeakPolarHBondContact SG-CB 3.42Å; C41-C108 CovalentContact SG-SG 2.02Å; C41-C108 PolarHBondContact SG-SG 3.16Å
42	S	98	Very high	96.4	Very high	47 Å²	47	66 Å²	66	33%	0.329	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.2	170	55.7	0	0	0	0	108.7	V22 T23 T89	V22-S42 CarbonylContact C-O 3.56Å; V22-S42 VanDerWaalsContact CA-O 3.28Å; V22-S42 WeakPolarHBondContact CA-O 3.29Å; T23-S42 PolarHBondContact N-O 3.01Å; T23-S42 PolarHBondContact O-N 2.96Å; T23-S42 PolarHBondContact O-OG 3.02Å; S42-T89 VanDerWaalsContact CA-O 3.28Å; S42-T89 WeakPolarHBondContact CA-O 3.37Å
43	Y	96.2	Very high	96.4	Very high	16 Å²	16	61.7 Å²	61.7	6%	0.063	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.3	-179	70.8	-94.1	0	0	0	110.7	S21 T45 P49 L51 Y84 T89	S21-Y43 CarbonylContact O-C 3.56Å; S21-Y43 VanDerWaalsContact O-CA 3.26Å; S21-Y43 WeakPolarHBondContact O-CA 3.3Å; Y43-T45 HydrophobicContact CD2-CG2 3.65Å; Y43-T45 HydrophobicContact CE2-CG2 3.7Å; Y43-P49 HydrophobicContact CD2-CG 4.09Å; Y43-P49 HydrophobicContact CE2-CG 3.9Å; Y43-L51 HydrophobicContact CD1-CD1 3.81Å; Y43-L51 HydrophobicContact CD1-CD2 4.03Å; Y43-L51 HydrophobicContact CE1-CD1 3.72Å; Y43-L51 HydrophobicContact CG-CD2 4.16Å; Y43-Y84 HydrophobicContact CE1-CD2 4.33Å; Y43-Y84 AromaticContact CE1-CE2 3.99Å; Y43-Y84 HydrophobicContact CE1-CE2 3.99Å; Y43-Y84 AromaticContact CZ-CE2 3.83Å; Y43-Y84 WeakPolarHBondContact OH-CE2 3.49Å; Y43-T89 PolarHBondContact N-O 3.34Å; Y43-T89 WeakPolarHBondContact O-CB 3.07Å
44	E	96	Very high	96.5	Very high	138 Å²	138	58.9 Å²	58.9	65%	0.645	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.9	173.8	-172.5	173.9	-175.5	0	0	108.5	D20 S21	D20-E44 CarbonylContact C-O 3.51Å; D20-E44 VanDerWaalsContact CA-O 3.25Å; D20-E44 WeakPolarHBondContact CA-O 3.48Å; S21-E44 PolarHBondContact N-O 2.9Å; S21-E44 PolarHBondContact O-N 3.41Å
45	T	93.7	Very high	96.5	Very high	33 Å²	33	56.6 Å²	56.6	20%	0.202	28%	0.284	C	S	.	.			trans	-162.3	154.2	177.5	178.7	0	0	0	0	110.2	D20 Y43 Q47 P49	D20-T45 VanDerWaalsContact OD1-CA 3.27Å; D20-T45 WeakPolarHBondContact OD1-CA 3Å; D20-T45 WeakPolarHBondContact OD1-CB 3.44Å; D20-T45 PolarHBondContact OD1-OG1 2.82Å; Y43-T45 HydrophobicContact CD2-CG2 3.65Å; Y43-T45 HydrophobicContact CE2-CG2 3.7Å; T45-Q47 PolarHBondContact OG1-N 2.85Å; T45-Q47 VanDerWaalsContact OG1-N 3.12Å; T45-P49 HydrophobicContact CG2-CB 4.26Å; T45-P49 VanDerWaalsContact CG2-CD 3.49Å; T45-P49 HydrophobicContact CG2-CG 3.65Å
46	K	90.4	Very high	96.5	Very high	171 Å²	171	56.3 Å²	56.3	74%	0.743	28%	0.279	S	S	*	.	S	Bend	trans	-88.9	-4.2	173.5	-65.3	177.8	179.8	175.1	0	113	N18	N18-K46 PolarHBondContact OD1-NZ 3.14Å
47	Q	89.3	Confident	96.5	Very high	132 Å²	132	54.5 Å²	54.5	62%	0.617	26%	0.26	S	S	*	.	S	Bend	trans	-112.3	-169.2	-173.7	-62.5	-167.4	-23.9	0	0	112.5	T45 P49	T45-Q47 PolarHBondContact OG1-N 2.85Å; T45-Q47 VanDerWaalsContact OG1-N 3.12Å; Q47-P49 WeakPolarHBondContact O-CD 3.1Å
48	Y	92.2	Very high	96.4	Very high	180 Å²	180	59 Å²	59	71%	0.706	29%	0.29	S	S	*	.			trans	-104	84	172.6	-62.7	-87.2	0	0	0	108.3	K86	Y48-K86 VanDerWaalsContact CE1-NZ 3.29Å
49	P	96	Very high	96.4	Very high	1 Å²	1	60 Å²	60	1%	0.006	32%	0.315	C	S	.	.			trans	-69.6	152.1	-172.1	31	-40.5	0	0	0	110.9	Y43 T45 Q47 L51 Y84 L110 S111	Y43-P49 HydrophobicContact CD2-CG 4.09Å; Y43-P49 HydrophobicContact CE2-CG 3.9Å; T45-P49 HydrophobicContact CG2-CB 4.26Å; T45-P49 VanDerWaalsContact CG2-CD 3.49Å; T45-P49 HydrophobicContact CG2-CG 3.65Å; Q47-P49 WeakPolarHBondContact O-CD 3.1Å; P49-L51 HydrophobicContact CB-CD2 4.05Å; P49-L51 HydrophobicContact CG-CD2 3.86Å; P49-L51 HydrophobicContact CG-CG 4.41Å; P49-Y84 WeakPolarHBondContact CD-OH 3.24Å; P49-Y84 WeakPolarHBondContact CG-OH 3.26Å; P49-Y84 WeakPolarHBondContact O-CE1 3.33Å; P49-Y84 PolarHBondContact O-OH 2.85Å; P49-Y84 VanDerWaalsContact O-OH 3.07Å; P49-L110 HydrophobicContact CB-CB 4.01Å; P49-L110 HydrophobicContact CB-CD1 3.99Å; P49-S111 CarbonylContact C-O 3.52Å; P49-S111 VanDerWaalsContact CA-O 3.28Å; P49-S111 WeakPolarHBondContact CA-O 3.28Å
50	T	97.7	Very high	96.4	Very high	33 Å²	33	63.5 Å²	63.5	20%	0.202	33%	0.33	C	S	.	.			trans	-80.4	134.5	153.1	-62.9	0	0	0	0	108.1	F52 K67 P69 L110 S111	T50-F52 HydrophobicContact CG2-CD2 4.35Å; T50-F52 HydrophobicContact CG2-CE1 3.88Å; T50-F52 HydrophobicContact CG2-CE2 3.61Å; T50-F52 HydrophobicContact CG2-CZ 3.32Å; T50-F52 WeakPolarHBondContact O-CD2 3.44Å; T50-F52 WeakPolarHBondContact O-CE2 3.44Å; T50-K67 HydrophobicContact CG2-CB 4.31Å; T50-P69 HydrophobicContact CG2-CB 4.39Å; T50-L110 WeakPolarHBondContact O-CA 3.4Å; T50-S111 PolarHBondContact N-O 2.85Å; T50-S111 PolarHBondContact O-N 2.86Å
51	L	98.5	Very high	96.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145	-179.8	-58.7	179.5	0	0	0	111	Y43 P49 K67 V68 Y84 F91 L110	Y43-L51 HydrophobicContact CD1-CD1 3.81Å; Y43-L51 HydrophobicContact CD1-CD2 4.03Å; Y43-L51 HydrophobicContact CE1-CD1 3.72Å; Y43-L51 HydrophobicContact CG-CD2 4.16Å; P49-L51 HydrophobicContact CB-CD2 4.05Å; P49-L51 HydrophobicContact CG-CD2 3.86Å; P49-L51 HydrophobicContact CG-CG 4.41Å; L51-K67 CarbonylContact O-C 3.49Å; L51-K67 VanDerWaalsContact O-CA 3.27Å; L51-K67 WeakPolarHBondContact O-CA 3.28Å; L51-V68 PolarHBondContact N-O 2.83Å; L51-V68 PolarHBondContact O-N 2.93Å; L51-Y84 HydrophobicContact CD1-CD1 3.82Å; L51-Y84 HydrophobicContact CD1-CD2 3.49Å; L51-Y84 VanDerWaalsContact CD1-CD2 3.49Å; L51-Y84 HydrophobicContact CD1-CE1 4.04Å; L51-Y84 HydrophobicContact CD1-CE2 3.77Å; L51-Y84 HydrophobicContact CD1-CG 3.56Å; L51-Y84 HydrophobicContact CG-CD1 4.08Å; L51-Y84 HydrophobicContact CG-CE1 4.06Å; L51-Y84 HydrophobicContact CG-CG 4.32Å; L51-F91 HydrophobicContact CB-CD1 3.56Å; L51-F91 HydrophobicContact CB-CD2 4.21Å; L51-F91 HydrophobicContact CB-CE1 3.61Å; L51-F91 HydrophobicContact CB-CE2 4.28Å; L51-F91 HydrophobicContact CB-CG 3.86Å; L51-F91 HydrophobicContact CB-CZ 3.99Å; L51-F91 HydrophobicContact CD1-CB 3.65Å; L51-F91 HydrophobicContact CD1-CD1 4.25Å; L51-F91 HydrophobicContact CD1-CD2 3.95Å; L51-F91 HydrophobicContact CD1-CG 3.71Å; L51-F91 HydrophobicContact CG-CD1 4.48Å; L51-F91 HydrophobicContact CG-CG 4.41Å; L51-L110 HydrophobicContact CD2-CB 3.61Å
52	F	98.6	Very high	96.3	Very high	28 Å²	28	65.2 Å²	65.2	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.5	-173.2	-52.9	-101	0	0	0	110.4	T50 Y54 L64 K67 A109 S111	T50-F52 HydrophobicContact CG2-CD2 4.35Å; T50-F52 HydrophobicContact CG2-CE1 3.88Å; T50-F52 HydrophobicContact CG2-CE2 3.61Å; T50-F52 HydrophobicContact CG2-CZ 3.32Å; T50-F52 WeakPolarHBondContact O-CD2 3.44Å; T50-F52 WeakPolarHBondContact O-CE2 3.44Å; F52-Y54 HydrophobicContact CB-CD2 4.01Å; F52-Y54 HydrophobicContact CB-CE2 3.52Å; F52-Y54 HydrophobicContact CD1-CE2 4.32Å; F52-Y54 HydrophobicContact CG-CE2 4.07Å; F52-L64 HydrophobicContact CB-CD1 4.45Å; F52-L64 HydrophobicContact CD1-CD1 3.94Å; F52-K67 HydrophobicContact CD1-CB 3.43Å; F52-K67 VanDerWaalsContact CD1-CB 3.43Å; F52-K67 HydrophobicContact CD1-CD 4.44Å; F52-K67 HydrophobicContact CE1-CB 3.66Å; F52-K67 HydrophobicContact CE1-CD 3.88Å; F52-K67 HydrophobicContact CE1-CG 4.42Å; F52-K67 HydrophobicContact CG-CB 4.26Å; F52-A109 HydrophobicContact CB-CB 4.32Å; F52-A109 PolarHBondContact N-O 3.3Å; F52-A109 PolarHBondContact O-N 3.47Å; F52-S111 VanDerWaalsContact CE2-OG 3.25Å; F52-S111 WeakPolarHBondContact CE2-OG 3.06Å; F52-S111 WeakPolarHBondContact CZ-OG 3.4Å
53	W	98.7	Very high	96.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.5	157.7	-82.9	102.4	0	0	0	109	V39 C41 L65 F66 F91 L93 Y107 C108	V39-W53 HydrophobicContact CB-CH2 4.27Å; V39-W53 HydrophobicContact CG1-CH2 3.88Å; V39-W53 HydrophobicContact CG1-CZ3 4.48Å; C41-W53 HydrophobicContact CB-CH2 3.98Å; C41-W53 HydrophobicContact CB-CZ2 3.49Å; C41-W53 VanDerWaalsContact CB-CZ2 3.49Å; W53-L65 HydrophobicContact CB-CB 4.26Å; W53-L65 HydrophobicContact CB-CD2 4.23Å; W53-L65 WeakPolarHBondContact O-CA 2.98Å; W53-L65 VanDerWaalsContact O-CB 3.24Å; W53-L65 WeakPolarHBondContact O-CB 3.32Å; W53-L65 PolarHBondContact O-N 2.82Å; W53-F66 HydrophobicContact CB-CE2 4.13Å; W53-F66 HydrophobicContact CB-CZ 4.11Å; W53-F66 AromaticContact CD1-CE2 3.63Å; W53-F66 AromaticContact CD1-CZ 3.75Å; W53-F66 HydrophobicContact CG-CE2 4.24Å; W53-F66 HydrophobicContact CG-CZ 4.19Å; W53-F66 PolarHBondContact N-O 2.96Å; W53-F66 PolarHBondContact O-N 3.44Å; W53-F91 AromaticContact CD1-CD1 3.5Å; W53-F91 AromaticContact CD1-CE1 3.2Å; W53-F91 AromaticContact CD1-CZ 3.98Å; W53-F91 HydrophobicContact CG-CE1 4.23Å; W53-F91 WeakPolarHBondContact CZ2-O 3.39Å; W53-F91 AromaticContact NE1-CD1 3.31Å; W53-F91 VanDerWaalsContact NE1-CD1 3.31Å; W53-F91 AromaticContact NE1-CE1 3.57Å; W53-F91 PolarHBondContact NE1-O 3.25Å; W53-L93 HydrophobicContact CB-CD1 4.36Å; W53-L93 HydrophobicContact CD2-CB 3.95Å; W53-L93 HydrophobicContact CD2-CD1 4.06Å; W53-L93 HydrophobicContact CD2-CD2 4.09Å; W53-L93 HydrophobicContact CD2-CG 4.27Å; W53-L93 HydrophobicContact CE3-CB 4.34Å; W53-L93 HydrophobicContact CE3-CD2 3.94Å; W53-L93 HydrophobicContact CG-CD1 3.84Å; W53-L93 HydrophobicContact CH2-CB 3.96Å; W53-L93 HydrophobicContact CZ2-CB 3.54Å; W53-L93 HydrophobicContact CZ3-CB 4.35Å; W53-L93 HydrophobicContact CZ3-CD2 4.23Å; W53-Y107 WeakPolarHBondContact CA-O 3.47Å; W53-Y107 VanDerWaalsContact CE3-C 3.41Å; W53-C108 HydrophobicContact CD2-CB 4.38Å; W53-C108 HydrophobicContact CE3-CB 4.25Å; W53-C108 HydrophobicContact CH2-CB 3.69Å; W53-C108 HydrophobicContact CZ2-CB 3.8Å; W53-C108 HydrophobicContact CZ3-CB 3.91Å
54	Y	98.5	Very high	96.4	Very high	75 Å²	75	70 Å²	70	29%	0.294	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	156.3	168.6	-67.6	-99.5	0	0	0	109.6	F52 P62 Q63 L64 Y106 Y107 A109	F52-Y54 HydrophobicContact CB-CD2 4.01Å; F52-Y54 HydrophobicContact CB-CE2 3.52Å; F52-Y54 HydrophobicContact CD1-CE2 4.32Å; F52-Y54 HydrophobicContact CG-CE2 4.07Å; Y54-P62 HydrophobicContact CD1-CB 4.48Å; Y54-Q63 CarbonylContact C-O 3.52Å; Y54-Q63 WeakPolarHBondContact CA-O 3.43Å; Y54-Q63 WeakPolarHBondContact CB-O 3.14Å; Y54-Q63 WeakPolarHBondContact CD1-O 3.42Å; Y54-L64 HydrophobicContact CD1-CB 4.37Å; Y54-L64 HydrophobicContact CE1-CB 4.11Å; Y54-L64 HydrophobicContact CE1-CD1 4.11Å; Y54-L64 HydrophobicContact CE2-CD1 4.32Å; Y54-Y106 WeakPolarHBondContact O-CA 3.28Å; Y54-Y107 PolarHBondContact N-O 3.01Å; Y54-Y107 PolarHBondContact O-N 2.83Å; Y54-A109 HydrophobicContact CD2-CB 4.45Å; Y54-A109 HydrophobicContact CE2-CB 4.29Å
55	V	98.2	Very high	96.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.7	177.3	58.6	0	0	0	0	108.6	Y57 Q63 L65 A104 V105 Y106	V55-Y57 HydrophobicContact CG1-CE2 4.35Å; V55-Y57 HydrophobicContact CG2-CE1 4.34Å; V55-Y57 HydrophobicContact CG2-CE2 4.05Å; V55-Q63 HydrophobicContact CG1-CB 4.25Å; V55-Q63 PolarHBondContact N-O 2.8Å; V55-Q63 PolarHBondContact O-N 3.27Å; V55-L65 HydrophobicContact CG1-CB 4.19Å; V55-L65 HydrophobicContact CG1-CD1 4.29Å; V55-A104 HydrophobicContact CG2-CB 3.65Å; V55-V105 CarbonylContact C-O 3.48Å; V55-V105 WeakPolarHBondContact CA-O 3.31Å; V55-Y106 HydrophobicContact CB-CD1 4.1Å; V55-Y106 HydrophobicContact CB-CE1 3.96Å; V55-Y106 HydrophobicContact CG2-CD1 4.1Å; V55-Y106 HydrophobicContact CG2-CE1 3.63Å; V55-Y106 HydrophobicContact CG2-CE2 4.45Å
56	Q	98.1	Very high	96.8	Very high	50 Å²	50	62.8 Å²	62.8	23%	0.234	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	107.7	178.2	-175.3	175.8	13.4	0	0	109.3	E60 A104 V105 Y107	Q56-E60 VanDerWaalsContact CG-O 3.29Å; Q56-E60 WeakPolarHBondContact CG-O 3.36Å; Q56-E60 PolarHBondContact NE2-O 3.21Å; Q56-A104 WeakPolarHBondContact O-CB 3.48Å; Q56-V105 HydrophobicContact CB-CB 4.39Å; Q56-V105 PolarHBondContact N-O 2.8Å; Q56-V105 PolarHBondContact O-N 2.97Å; Q56-Y107 HydrophobicContact CB-CE2 3.82Å; Q56-Y107 PolarHBondContact OE1-OH 2.81Å
57	Y	97	Very high	97.2	Very high	46 Å²	46	60.5 Å²	60.5	18%	0.18	33%	0.328	C	S	.	.			trans	-74.9	155.5	173.7	-66.1	-71.5	0	0	0	111	V55 G59 E60 R78 A104	V55-Y57 HydrophobicContact CG1-CE2 4.35Å; V55-Y57 HydrophobicContact CG2-CE1 4.34Å; V55-Y57 HydrophobicContact CG2-CE2 4.05Å; Y57-G59 PolarHBondContact O-N 2.69Å; Y57-E60 PolarHBondContact O-N 3.04Å; Y57-R78 PolarHBondContact OH-NE 2.81Å; Y57-R78 PolarHBondContact OH-NH2 2.88Å; Y57-R78 VanDerWaalsContact OH-NH2 3.09Å; Y57-A104 HydrophobicContact CD1-CB 3.75Å; Y57-A104 HydrophobicContact CE1-CB 3.91Å; Y57-A104 HydrophobicContact CG-CB 4.44Å
58	P	96.1	Very high	97.6	Very high	113 Å²	113	54.3 Å²	54.3	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	125.5	177.6	-26.7	35.3	0	0	0	112.4	E60	P58-E60 VanDerWaalsContact C-N 3.26Å; P58-E60 PolarHBondContact O-N 2.93Å
59	G	97.2	Very high	97.8	Very high	93 Å²	93	48.7 Å²	48.7	96%	0.959	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-1.2	179.8	0	0	0	0	0	115.3	Y57	Y57-G59 PolarHBondContact O-N 2.69Å
60	E	97	Very high	97.9	Very high	91 Å²	91	55 Å²	55	43%	0.425	31%	0.312	S	S	.	.	S	Bend	trans	-106.5	166	178.2	-61.5	-175	-164.1	0	0	112	Q56 Y57 P58 Q63	Q56-E60 VanDerWaalsContact CG-O 3.29Å; Q56-E60 WeakPolarHBondContact CG-O 3.36Å; Q56-E60 PolarHBondContact NE2-O 3.21Å; Y57-E60 PolarHBondContact O-N 3.04Å; P58-E60 VanDerWaalsContact C-N 3.26Å; P58-E60 PolarHBondContact O-N 2.93Å; E60-Q63 PolarHBondContact OE2-NE2 3.11Å
61	G	97.3	Very high	97.9	Very high	44 Å²	44	55 Å²	55	45%	0.454	32%	0.315	S	S	.	.			trans	-82.8	164.5	168.5	0	0	0	0	0	112.2	Q63	G61-Q63 PolarHBondContact O-N 2.9Å
62	P	97.8	Very high	97.7	Very high	79 Å²	79	61 Å²	61	51%	0.513	35%	0.347	S	S	.	.			trans	-59	129.4	174.3	-23.1	33.8	0	0	0	112.2	Y54	Y54-P62 HydrophobicContact CD1-CB 4.48Å
63	Q	98.4	Very high	97.7	Very high	80 Å²	80	63.4 Å²	63.4	37%	0.374	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.3	177.2	-65.4	173.5	8.8	0	0	109.9	Y54 V55 E60 G61 L65	Y54-Q63 CarbonylContact C-O 3.52Å; Y54-Q63 WeakPolarHBondContact CA-O 3.43Å; Y54-Q63 WeakPolarHBondContact CB-O 3.14Å; Y54-Q63 WeakPolarHBondContact CD1-O 3.42Å; V55-Q63 HydrophobicContact CG1-CB 4.25Å; V55-Q63 PolarHBondContact N-O 2.8Å; V55-Q63 PolarHBondContact O-N 3.27Å; E60-Q63 PolarHBondContact OE2-NE2 3.11Å; G61-Q63 PolarHBondContact O-N 2.9Å; Q63-L65 PolarHBondContact O-N 2.9Å
64	L	98.4	Very high	97.7	Very high	83 Å²	83	68.7 Å²	68.7	44%	0.435	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.7	174.7	-178.8	65.6	0	0	0	109.4	F52 Y54 F66 K67	F52-L64 HydrophobicContact CB-CD1 4.45Å; F52-L64 HydrophobicContact CD1-CD1 3.94Å; Y54-L64 HydrophobicContact CD1-CB 4.37Å; Y54-L64 HydrophobicContact CE1-CB 4.11Å; Y54-L64 HydrophobicContact CE1-CD1 4.11Å; Y54-L64 HydrophobicContact CE2-CD1 4.32Å; L64-F66 WeakPolarHBondContact CD1-O 3.27Å; L64-K67 HydrophobicContact CD1-CB 4.45Å
65	L	98.4	Very high	97.7	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-55.8	171.2	-174.4	64.2	0	0	0	109.5	W53 V55 Q63 N77 F80 L93 Y106	W53-L65 HydrophobicContact CB-CB 4.26Å; W53-L65 HydrophobicContact CB-CD2 4.23Å; W53-L65 WeakPolarHBondContact O-CA 2.98Å; W53-L65 VanDerWaalsContact O-CB 3.24Å; W53-L65 WeakPolarHBondContact O-CB 3.32Å; W53-L65 PolarHBondContact O-N 2.82Å; V55-L65 HydrophobicContact CG1-CB 4.19Å; V55-L65 HydrophobicContact CG1-CD1 4.29Å; Q63-L65 PolarHBondContact O-N 2.9Å; L65-N77 HydrophobicContact CD1-CB 4.05Å; L65-N77 HydrophobicContact CG-CB 4.3Å; L65-N77 VanDerWaalsContact O-CB 3.31Å; L65-N77 WeakPolarHBondContact O-CB 3.14Å; L65-N77 PolarHBondContact O-ND2 2.84Å; L65-F80 HydrophobicContact CD2-CB 3.98Å; L65-F80 HydrophobicContact CD2-CD2 4.34Å; L65-F80 HydrophobicContact CD2-CG 4.13Å; L65-L93 HydrophobicContact CD2-CD1 4.1Å; L65-L93 HydrophobicContact CD2-CD2 4.5Å; L65-Y106 HydrophobicContact CD2-CD1 4.27Å; L65-Y106 HydrophobicContact CD2-CE1 4.1Å
66	F	98.7	Very high	97.7	Very high	16 Å²	16	69 Å²	69	7%	0.07	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	166.3	169.6	52.5	-103	0	0	0	110.7	W53 L64 V68 N77 F80 A82 F91 L93	W53-F66 HydrophobicContact CB-CE2 4.13Å; W53-F66 HydrophobicContact CB-CZ 4.11Å; W53-F66 AromaticContact CD1-CE2 3.63Å; W53-F66 AromaticContact CD1-CZ 3.75Å; W53-F66 HydrophobicContact CG-CE2 4.24Å; W53-F66 HydrophobicContact CG-CZ 4.19Å; W53-F66 PolarHBondContact N-O 2.96Å; W53-F66 PolarHBondContact O-N 3.44Å; L64-F66 WeakPolarHBondContact CD1-O 3.27Å; F66-V68 HydrophobicContact CD2-CG2 4.32Å; F66-N77 HydrophobicContact CD1-CB 3.9Å; F66-F80 HydrophobicContact CE1-CB 4.16Å; F66-A82 HydrophobicContact CE2-CB 3.8Å; F66-A82 HydrophobicContact CZ-CB 3.79Å; F66-F91 HydrophobicContact CD2-CZ 4.25Å; F66-F91 HydrophobicContact CE2-CE1 4.17Å; F66-F91 AromaticContact CE2-CZ 3.74Å; F66-F91 HydrophobicContact CE2-CZ 3.74Å; F66-L93 HydrophobicContact CE1-CD1 3.92Å; F66-L93 HydrophobicContact CZ-CD1 3.58Å
67	K	98.3	Very high	97.7	Very high	124 Å²	124	69.8 Å²	69.8	54%	0.539	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.9	173.1	69.5	178.4	-178	177.1	0	111	T50 L51 F52 L64	T50-K67 HydrophobicContact CG2-CB 4.31Å; L51-K67 CarbonylContact O-C 3.49Å; L51-K67 VanDerWaalsContact O-CA 3.27Å; L51-K67 WeakPolarHBondContact O-CA 3.28Å; F52-K67 HydrophobicContact CD1-CB 3.43Å; F52-K67 VanDerWaalsContact CD1-CB 3.43Å; F52-K67 HydrophobicContact CD1-CD 4.44Å; F52-K67 HydrophobicContact CE1-CB 3.66Å; F52-K67 HydrophobicContact CE1-CD 3.88Å; F52-K67 HydrophobicContact CE1-CG 4.42Å; F52-K67 HydrophobicContact CG-CB 4.26Å; L64-K67 HydrophobicContact CD1-CB 4.45Å
68	V	98.5	Very high	97.7	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	105.4	-179.7	-177.1	0	0	0	0	108.7	L51 F66 E73 G75 Y84 F91	L51-V68 PolarHBondContact N-O 2.83Å; L51-V68 PolarHBondContact O-N 2.93Å; F66-V68 HydrophobicContact CD2-CG2 4.32Å; V68-E73 HydrophobicContact CG1-CB 3.55Å; V68-G75 VanDerWaalsContact CG2-CA 3.46Å; V68-Y84 HydrophobicContact CG1-CD1 4.11Å; V68-F91 HydrophobicContact CB-CE2 3.88Å; V68-F91 HydrophobicContact CB-CZ 3.82Å; V68-F91 HydrophobicContact CG1-CE2 4.47Å; V68-F91 HydrophobicContact CG2-CE2 3.7Å; V68-F91 HydrophobicContact CG2-CZ 3.52Å
69	P	97.6	Very high	97.8	Very high	61 Å²	61	69.2 Å²	69.2	40%	0.396	40%	0.399	S	S	.	.			trans	-78	-24.1	-174	-17.1	31.9	0	0	0	115.1	T50	T50-P69 HydrophobicContact CG2-CB 4.39Å
70	K	97.5	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	-125.7	147	-172.5	-53.5	-175.3	-167.2	158.2	0	112	E73 Y84	K70-E73 HydrophobicContact CB-CG 4.1Å; K70-E73 WeakPolarHBondContact CD-OE1 2.95Å; K70-E73 WeakPolarHBondContact O-CB 3.45Å; K70-E73 PolarHBondContact O-N 2.82Å; K70-Y84 WeakPolarHBondContact O-CD1 3.32Å
71	A	96.7	Very high	97.9	Very high	32 Å²	32	63.6 Å²	63.6	26%	0.264	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	145.5	172	0	0	0	0	0	111.4	E73 Y84 K86	A71-E73 PolarHBondContact O-N 2.02Å; A71-E73 VanDerWaalsContact O-N 3.16Å; A71-Y84 HydrophobicContact CB-CD2 4.47Å; A71-Y84 HydrophobicContact CB-CE2 4.29Å; A71-K86 HydrophobicContact CB-CB 3.75Å; A71-K86 HydrophobicContact CB-CD 4.09Å; A71-K86 HydrophobicContact CB-CG 4.39Å
72	N	95.8	Very high	98	Very high	125 Å²	125	61.5 Å²	61.5	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	0.9	-178.9	-49.3	-41.7	0	0	0	115.2	Y84	N72-Y84 WeakPolarHBondContact CA-O 3.15Å; N72-Y84 PolarHBondContact N-O 2.82Å
73	E	98.1	Very high	98	Very high	79 Å²	79	60.7 Å²	60.7	37%	0.369	32%	0.32	S	S	.	.			trans	-80.1	158.2	167.4	-68.5	-178.2	-178.2	0	0	110.7	V68 K70 A71 Y84	V68-E73 HydrophobicContact CG1-CB 3.55Å; K70-E73 HydrophobicContact CB-CG 4.1Å; K70-E73 WeakPolarHBondContact CD-OE1 2.95Å; K70-E73 WeakPolarHBondContact O-CB 3.45Å; K70-E73 PolarHBondContact O-N 2.82Å; A71-E73 PolarHBondContact O-N 2.02Å; A71-E73 VanDerWaalsContact O-N 3.16Å; E73-Y84 PolarHBondContact O-N 3.05Å
74	K	98.2	Very high	98	Very high	112 Å²	112	57 Å²	57	49%	0.487	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.9	179.7	171.6	172.7	153.1	162.9	0	109.6	E81 A82	K74-E81 VanDerWaalsContact CE-OE2 3.32Å; K74-E81 WeakPolarHBondContact CE-OE2 3.45Å; K74-E81 IonicContact NZ-OE1 2.87Å; K74-E81 PolarHBondContact NZ-OE1 2.81Å; K74-E81 IonicContact NZ-OE2 2.64Å; K74-E81 PolarHBondContact NZ-OE2 3.36Å; K74-A82 WeakPolarHBondContact CA-O 3.49Å
75	G	98.2	Very high	98	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	146.1	169.4	0	0	0	0	0	110	V68 E81 A82	V68-G75 VanDerWaalsContact CG2-CA 3.46Å; G75-E81 WeakPolarHBondContact O-CA 3.47Å; G75-A82 PolarHBondContact N-O 2.74Å; G75-A82 PolarHBondContact O-N 2.71Å
76	S	98.3	Very high	97.9	Very high	74 Å²	74	60.1 Å²	60.1	52%	0.517	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	138.4	171.5	-175.7	0	0	0	0	111.8	F80	S76-F80 CarbonylContact C-O 3.58Å; S76-F80 WeakPolarHBondContact CA-O 3.2Å; S76-F80 WeakPolarHBondContact CB-O 3.27Å; S76-F80 PolarHBondContact OG-O 2.91Å
77	N	98.4	Very high	97.7	Very high	67 Å²	67	68.2 Å²	68.2	36%	0.358	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	142.6	172.2	-163.4	-16.9	0	0	0	109.6	L65 F66 G79 F80	L65-N77 HydrophobicContact CD1-CB 4.05Å; L65-N77 HydrophobicContact CG-CB 4.3Å; L65-N77 VanDerWaalsContact O-CB 3.31Å; L65-N77 WeakPolarHBondContact O-CB 3.14Å; L65-N77 PolarHBondContact O-ND2 2.84Å; F66-N77 HydrophobicContact CD1-CB 3.9Å; N77-G79 PolarHBondContact O-N 2.91Å; N77-G79 VanDerWaalsContact O-N 3.11Å; N77-F80 PolarHBondContact N-O 2.88Å; N77-F80 WeakPolarHBondContact O-CA 3.49Å; N77-F80 WeakPolarHBondContact O-CB 3.46Å; N77-F80 PolarHBondContact O-N 3.31Å
78	R	96.6	Very high	97.7	Very high	99 Å²	99	64.8 Å²	64.8	37%	0.374	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	35.1	178.7	-59.9	-166	-70.3	-114.7	9.7	114.8	Y57 F80 K95	Y57-R78 PolarHBondContact OH-NE 2.81Å; Y57-R78 PolarHBondContact OH-NH2 2.88Å; Y57-R78 VanDerWaalsContact OH-NH2 3.09Å; R78-F80 HydrophobicContact CB-CD2 4.32Å; R78-F80 PolarHBondContact O-N 3.09Å; R78-K95 PolarHBondContact O-NZ 3.25Å
79	G	97.7	Very high	97.6	Very high	49 Å²	49	67.9 Å²	67.9	51%	0.505	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-0.7	-177.5	0	0	0	0	0	114.8	N77	N77-G79 PolarHBondContact O-N 2.91Å; N77-G79 VanDerWaalsContact O-N 3.11Å
80	F	98.6	Very high	97.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	150.4	166.6	-67.7	-87.7	0	0	0	110.4	L37 L65 F66 S76 N77 R78 L93 Q94 K95 D102 Y106	L37-F80 HydrophobicContact CD2-CE1 3.93Å; L65-F80 HydrophobicContact CD2-CB 3.98Å; L65-F80 HydrophobicContact CD2-CD2 4.34Å; L65-F80 HydrophobicContact CD2-CG 4.13Å; F66-F80 HydrophobicContact CE1-CB 4.16Å; S76-F80 CarbonylContact C-O 3.58Å; S76-F80 WeakPolarHBondContact CA-O 3.2Å; S76-F80 WeakPolarHBondContact CB-O 3.27Å; S76-F80 PolarHBondContact OG-O 2.91Å; N77-F80 PolarHBondContact N-O 2.88Å; N77-F80 WeakPolarHBondContact O-CA 3.49Å; N77-F80 WeakPolarHBondContact O-CB 3.46Å; N77-F80 PolarHBondContact O-N 3.31Å; R78-F80 HydrophobicContact CB-CD2 4.32Å; R78-F80 PolarHBondContact O-N 3.09Å; F80-L93 HydrophobicContact CB-CD1 3.88Å; F80-L93 HydrophobicContact CD1-CD1 4.08Å; F80-L93 HydrophobicContact CD1-CD2 3.81Å; F80-L93 HydrophobicContact CD1-CG 3.8Å; F80-L93 HydrophobicContact CE1-CD2 4.19Å; F80-L93 HydrophobicContact CG-CD1 4.36Å; F80-Q94 CarbonylContact C-O 3.58Å; F80-Q94 VanDerWaalsContact CA-O 3.27Å; F80-Q94 WeakPolarHBondContact CA-O 3.32Å; F80-K95 HydrophobicContact CD1-CB 3.77Å; F80-K95 HydrophobicContact CD1-CD 4Å; F80-K95 HydrophobicContact CD1-CG 4.49Å; F80-K95 HydrophobicContact CD2-CD 3.96Å; F80-K95 HydrophobicContact CE1-CB 3.87Å; F80-K95 HydrophobicContact CE1-CD 3.72Å; F80-K95 HydrophobicContact CE1-CG 4.44Å; F80-K95 HydrophobicContact CE2-CD 3.64Å; F80-K95 HydrophobicContact CG-CB 4.38Å; F80-K95 HydrophobicContact CG-CD 4.12Å; F80-K95 HydrophobicContact CZ-CD 3.5Å; F80-K95 VanDerWaalsContact CZ-CD 3.5Å; F80-D102 HydrophobicContact CE2-CB 4.48Å; F80-D102 VanDerWaalsContact CE2-OD1 3.27Å; F80-D102 WeakPolarHBondContact CE2-OD1 3.14Å; F80-D102 HydrophobicContact CZ-CB 3.98Å; F80-Y106 HydrophobicContact CD1-CE1 4.42Å; F80-Y106 AromaticContact CE1-CE1 3.96Å; F80-Y106 HydrophobicContact CE1-CE1 3.96Å; F80-Y106 AromaticContact CE1-CZ 3.93Å; F80-Y106 HydrophobicContact CE2-CE1 4.14Å; F80-Y106 WeakPolarHBondContact CE2-OH 3.27Å; F80-Y106 AromaticContact CZ-CE1 3.84Å; F80-Y106 HydrophobicContact CZ-CE1 3.84Å; F80-Y106 HydrophobicContact CZ-CE2 4.45Å; F80-Y106 AromaticContact CZ-CZ 3.53Å; F80-Y106 WeakPolarHBondContact CZ-OH 3.25Å
81	E	98.7	Very high	97.7	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.304	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.7	174.4	55.3	-175.4	-117.5	0	0	112.1	K74 G75 L93 Q94	K74-E81 VanDerWaalsContact CE-OE2 3.32Å; K74-E81 WeakPolarHBondContact CE-OE2 3.45Å; K74-E81 IonicContact NZ-OE1 2.87Å; K74-E81 PolarHBondContact NZ-OE1 2.81Å; K74-E81 IonicContact NZ-OE2 2.64Å; K74-E81 PolarHBondContact NZ-OE2 3.36Å; G75-E81 WeakPolarHBondContact O-CA 3.47Å; E81-L93 CarbonylContact O-C 3.55Å; E81-L93 WeakPolarHBondContact O-CA 3.42Å; E81-Q94 HydrophobicContact CG-CB 4.1Å; E81-Q94 PolarHBondContact N-O 2.61Å; E81-Q94 PolarHBondContact O-N 3.12Å
82	A	98.7	Very high	97.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	136.9	167.3	0	0	0	0	0	109.6	F66 K74 G75 F91 H92	F66-A82 HydrophobicContact CE2-CB 3.8Å; F66-A82 HydrophobicContact CZ-CB 3.79Å; K74-A82 WeakPolarHBondContact CA-O 3.49Å; G75-A82 PolarHBondContact N-O 2.74Å; G75-A82 PolarHBondContact O-N 2.71Å; A82-F91 HydrophobicContact CB-CD1 4.34Å; A82-F91 HydrophobicContact CB-CD2 3.8Å; A82-F91 HydrophobicContact CB-CE1 4.17Å; A82-F91 HydrophobicContact CB-CE2 3.58Å; A82-F91 HydrophobicContact CB-CG 4.18Å; A82-F91 HydrophobicContact CB-CZ 3.79Å; A82-H92 WeakPolarHBondContact CA-O 3.27Å; A82-H92 WeakPolarHBondContact CB-O 3.25Å
83	T	98.6	Very high	97.9	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.38	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.6	175.6	-64.3	0	0	0	0	109.3	N85	T83-N85 PolarHBondContact O-N 2.76Å
84	Y	98.4	Very high	97.9	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.012	29%	0.293	C	S	.	.			trans	-75.1	95.3	173.7	-177	168.3	0	0	0	109.2	Y43 P49 L51 V68 K70 A71 N72 E73 K86	Y43-Y84 HydrophobicContact CE1-CD2 4.33Å; Y43-Y84 AromaticContact CE1-CE2 3.99Å; Y43-Y84 HydrophobicContact CE1-CE2 3.99Å; Y43-Y84 AromaticContact CZ-CE2 3.83Å; Y43-Y84 WeakPolarHBondContact OH-CE2 3.49Å; P49-Y84 WeakPolarHBondContact CD-OH 3.24Å; P49-Y84 WeakPolarHBondContact CG-OH 3.26Å; P49-Y84 WeakPolarHBondContact O-CE1 3.33Å; P49-Y84 PolarHBondContact O-OH 2.85Å; P49-Y84 VanDerWaalsContact O-OH 3.07Å; L51-Y84 HydrophobicContact CD1-CD1 3.82Å; L51-Y84 HydrophobicContact CD1-CD2 3.49Å; L51-Y84 VanDerWaalsContact CD1-CD2 3.49Å; L51-Y84 HydrophobicContact CD1-CE1 4.04Å; L51-Y84 HydrophobicContact CD1-CE2 3.77Å; L51-Y84 HydrophobicContact CD1-CG 3.56Å; L51-Y84 HydrophobicContact CG-CD1 4.08Å; L51-Y84 HydrophobicContact CG-CE1 4.06Å; L51-Y84 HydrophobicContact CG-CG 4.32Å; V68-Y84 HydrophobicContact CG1-CD1 4.11Å; K70-Y84 WeakPolarHBondContact O-CD1 3.32Å; A71-Y84 HydrophobicContact CB-CD2 4.47Å; A71-Y84 HydrophobicContact CB-CE2 4.29Å; N72-Y84 WeakPolarHBondContact CA-O 3.15Å; N72-Y84 PolarHBondContact N-O 2.82Å; E73-Y84 PolarHBondContact O-N 3.05Å; Y84-K86 HydrophobicContact CE2-CB 4.19Å
85	N	98	Very high	97.9	Very high	58 Å²	58	49.9 Å²	49.9	31%	0.31	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-92.4	102.8	174.8	-172.3	-23.9	0	0	0	110.3	T83 E87 A88 T89 S90	T83-N85 PolarHBondContact O-N 2.76Å; N85-E87 PolarHBondContact OD1-N 3.23Å; N85-E87 VanDerWaalsContact OD1-N 3.11Å; N85-A88 HydrophobicContact CB-CB 4.38Å; N85-A88 PolarHBondContact OD1-N 2.92Å; N85-T89 WeakPolarHBondContact O-CA 3.46Å; N85-T89 PolarHBondContact O-N 3.02Å; N85-T89 VanDerWaalsContact O-N 3.11Å; N85-S90 PolarHBondContact N-O 2.91Å; N85-S90 PolarHBondContact O-N 2.95Å
86	K	96.1	Very high	97.9	Very high	93 Å²	93	53.8 Å²	53.8	40%	0.404	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.9	-180	-172.4	-170.3	178.1	-153.5	0	112.8	Y48 A71 Y84 T89	Y48-K86 VanDerWaalsContact CE1-NZ 3.29Å; A71-K86 HydrophobicContact CB-CB 3.75Å; A71-K86 HydrophobicContact CB-CD 4.09Å; A71-K86 HydrophobicContact CB-CG 4.39Å; Y84-K86 HydrophobicContact CE2-CB 4.19Å; K86-T89 PolarHBondContact O-N 3.11Å
87	E	95.8	Very high	97.9	Very high	186 Å²	186	52.9 Å²	52.9	87%	0.869	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.9	-176.8	-64.3	-178.8	177.8	0	0	111.6	N85 T89	N85-E87 PolarHBondContact OD1-N 3.23Å; N85-E87 VanDerWaalsContact OD1-N 3.11Å; E87-T89 VanDerWaalsContact C-N 3.34Å
88	A	97.1	Very high	97.9	Very high	53 Å²	53	50.3 Å²	50.3	44%	0.438	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.3	176.2	0	0	0	0	0	113.6	N85 S90	N85-A88 HydrophobicContact CB-CB 4.38Å; N85-A88 PolarHBondContact OD1-N 2.92Å; A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 3.47Å
89	T	96.9	Very high	98	Very high	67 Å²	67	50.8 Å²	50.8	41%	0.411	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	49.4	-176.6	54.9	0	0	0	0	112.8	S42 Y43 N85 K86 E87	S42-T89 VanDerWaalsContact CA-O 3.28Å; S42-T89 WeakPolarHBondContact CA-O 3.37Å; Y43-T89 PolarHBondContact N-O 3.34Å; Y43-T89 WeakPolarHBondContact O-CB 3.07Å; N85-T89 WeakPolarHBondContact O-CA 3.46Å; N85-T89 PolarHBondContact O-N 3.02Å; N85-T89 VanDerWaalsContact O-N 3.11Å; K86-T89 PolarHBondContact O-N 3.11Å; E87-T89 VanDerWaalsContact C-N 3.34Å
90	S	98	Very high	97.9	Very high	11 Å²	11	55.7 Å²	55.7	8%	0.077	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-138.4	155.2	-169.8	75.5	0	0	0	0	115	C41 N85 A88 H92	C41-S90 WeakPolarHBondContact O-CA 3.41Å; N85-S90 PolarHBondContact N-O 2.91Å; N85-S90 PolarHBondContact O-N 2.95Å; A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 3.47Å; S90-H92 VanDerWaalsContact CB-CE1 3.44Å; S90-H92 WeakPolarHBondContact CB-CE1 3.33Å
91	F	98.3	Very high	97.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.327	C	S	.	.			trans	-151.1	54.9	-178.2	-165.9	-127.5	0	0	0	111.8	C41 L51 W53 F66 V68 A82 L93	C41-F91 PolarHBondContact O-N 2.78Å; L51-F91 HydrophobicContact CB-CD1 3.56Å; L51-F91 HydrophobicContact CB-CD2 4.21Å; L51-F91 HydrophobicContact CB-CE1 3.61Å; L51-F91 HydrophobicContact CB-CE2 4.28Å; L51-F91 HydrophobicContact CB-CG 3.86Å; L51-F91 HydrophobicContact CB-CZ 3.99Å; L51-F91 HydrophobicContact CD1-CB 3.65Å; L51-F91 HydrophobicContact CD1-CD1 4.25Å; L51-F91 HydrophobicContact CD1-CD2 3.95Å; L51-F91 HydrophobicContact CD1-CG 3.71Å; L51-F91 HydrophobicContact CG-CD1 4.48Å; L51-F91 HydrophobicContact CG-CG 4.41Å; W53-F91 AromaticContact CD1-CD1 3.5Å; W53-F91 AromaticContact CD1-CE1 3.2Å; W53-F91 AromaticContact CD1-CZ 3.98Å; W53-F91 HydrophobicContact CG-CE1 4.23Å; W53-F91 WeakPolarHBondContact CZ2-O 3.39Å; W53-F91 AromaticContact NE1-CD1 3.31Å; W53-F91 VanDerWaalsContact NE1-CD1 3.31Å; W53-F91 AromaticContact NE1-CE1 3.57Å; W53-F91 PolarHBondContact NE1-O 3.25Å; F66-F91 HydrophobicContact CD2-CZ 4.25Å; F66-F91 HydrophobicContact CE2-CE1 4.17Å; F66-F91 AromaticContact CE2-CZ 3.74Å; F66-F91 HydrophobicContact CE2-CZ 3.74Å; V68-F91 HydrophobicContact CB-CE2 3.88Å; V68-F91 HydrophobicContact CB-CZ 3.82Å; V68-F91 HydrophobicContact CG1-CE2 4.47Å; V68-F91 HydrophobicContact CG2-CE2 3.7Å; V68-F91 HydrophobicContact CG2-CZ 3.52Å; A82-F91 HydrophobicContact CB-CD1 4.34Å; A82-F91 HydrophobicContact CB-CD2 3.8Å; A82-F91 HydrophobicContact CB-CE1 4.17Å; A82-F91 HydrophobicContact CB-CE2 3.58Å; A82-F91 HydrophobicContact CB-CG 4.18Å; A82-F91 HydrophobicContact CB-CZ 3.79Å; F91-L93 PolarHBondContact O-N 3.01Å
92	H	98.6	Very high	97.7	Very high	61 Å²	61	57.1 Å²	57.1	28%	0.282	32%	0.317	S	S	.	.			trans	-65.2	131.8	-174	-53.9	-22.6	0	0	0	111.7	T38 V39 C41 A82 S90	T38-H92 HydrophobicContact CG2-CB 4.33Å; V39-H92 CarbonylContact O-C 3.51Å; V39-H92 WeakPolarHBondContact O-CA 3.39Å; C41-H92 PolarHBondContact N-ND1 2.88Å; C41-H92 VanDerWaalsContact N-ND1 3.11Å; C41-H92 PolarHBondContact O-CE1 3.02Å; C41-H92 VanDerWaalsContact O-CE1 3.27Å; C41-H92 PolarHBondContact O-ND1 3.11Å; A82-H92 WeakPolarHBondContact CA-O 3.27Å; A82-H92 WeakPolarHBondContact CB-O 3.25Å; S90-H92 VanDerWaalsContact CB-CE1 3.44Å; S90-H92 WeakPolarHBondContact CB-CE1 3.33Å
93	L	98.6	Very high	97.6	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.9	174.1	-169.4	65.8	0	0	0	109.3	T38 V39 W53 L65 F66 F80 E81 F91 Y106	T38-L93 CarbonylContact C-O 3.58Å; T38-L93 VanDerWaalsContact CA-O 3.29Å; T38-L93 WeakPolarHBondContact CA-O 3.43Å; V39-L93 HydrophobicContact CB-CB 4.18Å; V39-L93 PolarHBondContact N-O 3.34Å; V39-L93 PolarHBondContact O-N 3.05Å; W53-L93 HydrophobicContact CB-CD1 4.36Å; W53-L93 HydrophobicContact CD2-CB 3.95Å; W53-L93 HydrophobicContact CD2-CD1 4.06Å; W53-L93 HydrophobicContact CD2-CD2 4.09Å; W53-L93 HydrophobicContact CD2-CG 4.27Å; W53-L93 HydrophobicContact CE3-CB 4.34Å; W53-L93 HydrophobicContact CE3-CD2 3.94Å; W53-L93 HydrophobicContact CG-CD1 3.84Å; W53-L93 HydrophobicContact CH2-CB 3.96Å; W53-L93 HydrophobicContact CZ2-CB 3.54Å; W53-L93 HydrophobicContact CZ3-CB 4.35Å; W53-L93 HydrophobicContact CZ3-CD2 4.23Å; L65-L93 HydrophobicContact CD2-CD1 4.1Å; L65-L93 HydrophobicContact CD2-CD2 4.5Å; F66-L93 HydrophobicContact CE1-CD1 3.92Å; F66-L93 HydrophobicContact CZ-CD1 3.58Å; F80-L93 HydrophobicContact CB-CD1 3.88Å; F80-L93 HydrophobicContact CD1-CD1 4.08Å; F80-L93 HydrophobicContact CD1-CD2 3.81Å; F80-L93 HydrophobicContact CD1-CG 3.8Å; F80-L93 HydrophobicContact CE1-CD2 4.19Å; F80-L93 HydrophobicContact CG-CD1 4.36Å; E81-L93 CarbonylContact O-C 3.55Å; E81-L93 WeakPolarHBondContact O-CA 3.42Å; F91-L93 PolarHBondContact O-N 3.01Å; L93-Y106 HydrophobicContact CD2-CD1 3.44Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.44Å; L93-Y106 HydrophobicContact CD2-CE1 4.03Å; L93-Y106 HydrophobicContact CD2-CG 3.92Å
94	Q	98.5	Very high	97.6	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.8	-178.2	-59.6	-177.8	-52.1	0	0	110.5	L37 T38 F80 E81	L37-Q94 VanDerWaalsContact O-CA 3.3Å; L37-Q94 WeakPolarHBondContact O-CA 3.34Å; T38-Q94 HydrophobicContact CG2-CG 4.22Å; F80-Q94 CarbonylContact C-O 3.58Å; F80-Q94 VanDerWaalsContact CA-O 3.27Å; F80-Q94 WeakPolarHBondContact CA-O 3.32Å; E81-Q94 HydrophobicContact CG-CB 4.1Å; E81-Q94 PolarHBondContact N-O 2.61Å; E81-Q94 PolarHBondContact O-N 3.12Å
95	K	98.4	Very high	97.5	Very high	18 Å²	18	62.8 Å²	62.8	8%	0.078	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131	169.4	-180	159.6	-178	161.1	0	109	S36 L37 R78 F80 S97 D102	S36-K95 CarbonylContact C-O 3.52Å; S36-K95 WeakPolarHBondContact CA-O 3.43Å; L37-K95 HydrophobicContact CB-CB 4.44Å; L37-K95 PolarHBondContact N-O 2.9Å; L37-K95 PolarHBondContact O-N 2.76Å; R78-K95 PolarHBondContact O-NZ 3.25Å; F80-K95 HydrophobicContact CD1-CB 3.77Å; F80-K95 HydrophobicContact CD1-CD 4Å; F80-K95 HydrophobicContact CD1-CG 4.49Å; F80-K95 HydrophobicContact CD2-CD 3.96Å; F80-K95 HydrophobicContact CE1-CB 3.87Å; F80-K95 HydrophobicContact CE1-CD 3.72Å; F80-K95 HydrophobicContact CE1-CG 4.44Å; F80-K95 HydrophobicContact CE2-CD 3.64Å; F80-K95 HydrophobicContact CG-CB 4.38Å; F80-K95 HydrophobicContact CG-CD 4.12Å; F80-K95 HydrophobicContact CZ-CD 3.5Å; F80-K95 VanDerWaalsContact CZ-CD 3.5Å; K95-S97 VanDerWaalsContact C-N 3.35Å; K95-S97 WeakPolarHBondContact CE-O 3.41Å; K95-S97 PolarHBondContact O-N 2.85Å; K95-D102 WeakPolarHBondContact CD-OD2 3.34Å; K95-D102 WeakPolarHBondContact CE-OD2 3.35Å; K95-D102 IonicContact NZ-OD1 2.81Å; K95-D102 PolarHBondContact NZ-OD1 2.94Å; K95-D102 IonicContact NZ-OD2 2.69Å; K95-D102 PolarHBondContact NZ-OD2 3.05Å
96	A	98.3	Very high	97.5	Very high	87 Å²	87	61.2 Å²	61.2	72%	0.719	35%	0.348	S	S	*	.	S	Bend	trans	-69.2	-33	-173.7	0	0	0	0	0	113.3	S36	S36-A96 WeakPolarHBondContact CA-O 3.26Å
97	S	98	Very high	97.6	Very high	56 Å²	56	60.7 Å²	60.7	39%	0.392	34%	0.344	S	S	.	.	S	Bend	trans	-147.9	111.2	-178.1	171.7	0	0	0	0	108.7	G34 K95	G34-S97 WeakPolarHBondContact CA-OG 3.2Å; K95-S97 VanDerWaalsContact C-N 3.35Å; K95-S97 WeakPolarHBondContact CE-O 3.41Å; K95-S97 PolarHBondContact O-N 2.85Å
98	V	98	Very high	97.7	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.079	31%	0.306	C	S	.	.			trans	-79.3	149.1	177	-61.2	0	0	0	0	111.7	L31 S32 E33 G34 T35 L37 D102	L31-V98 HydrophobicContact CB-CG2 4.14Å; L31-V98 HydrophobicContact CD1-CG1 4.41Å; S32-V98 WeakPolarHBondContact O-CG2 3.4Å; E33-V98 WeakPolarHBondContact CA-O 3.25Å; G34-V98 PolarHBondContact N-O 2.92Å; T35-V98 WeakPolarHBondContact O-CG2 3.46Å; T35-V98 PolarHBondContact O-N 3.11Å; L37-V98 HydrophobicContact CB-CG1 3.46Å; L37-V98 VanDerWaalsContact CB-CG1 3.46Å; L37-V98 HydrophobicContact CD2-CG1 4.12Å; L37-V98 HydrophobicContact CG-CG1 4.41Å; V98-D102 WeakPolarHBondContact CA-OD2 3.1Å
99	Q	97.8	Very high	97.7	Very high	108 Å²	108	51.1 Å²	51.1	51%	0.505	30%	0.296	S	S	.	.			trans	-123.5	160	176	-60.2	178.1	2.7	0	0	109.7	S101 D102	Q99-S101 PolarHBondContact O-N 2.64Å; Q99-S101 VanDerWaalsContact O-N 3.14Å; Q99-D102 PolarHBondContact N-OD2 3.02Å; Q99-D102 VanDerWaalsContact O-CB 3.25Å; Q99-D102 WeakPolarHBondContact O-CB 3.45Å; Q99-D102 PolarHBondContact O-N 2.87Å
100	E	96.2	Very high	97.7	Very high	152 Å²	152	49.4 Å²	49.4	71%	0.71	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-53.1	-36.4	174.6	-174	179.7	-172.9	0	0	112.5	E33 D102 S103	E33-E100 WeakPolarHBondContact OE1-CB 3.14Å; E33-E100 PolarHBondContact OE1-N 3.05Å; E100-D102 PolarHBondContact O-N 2.81Å; E100-D102 VanDerWaalsContact O-N 3.12Å; E100-S103 VanDerWaalsContact O-CB 3.26Å; E100-S103 WeakPolarHBondContact O-CB 3.17Å; E100-S103 PolarHBondContact O-N 2.88Å; E100-S103 PolarHBondContact O-OG 3.07Å
101	S	96.3	Very high	97.5	Very high	78 Å²	78	53.3 Å²	53.3	55%	0.545	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65	-11	177.2	67.5	0	0	0	0	115	Q99 S103	Q99-S101 PolarHBondContact O-N 2.64Å; Q99-S101 VanDerWaalsContact O-N 3.14Å; S101-S103 VanDerWaalsContact C-N 3.27Å
102	D	97.5	Very high	97.5	Very high	17 Å²	17	56 Å²	56	9%	0.091	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-83.3	-1.3	173.2	-64.6	-43.9	0	0	0	113.1	F80 K95 V98 Q99 E100 A104 Y106	F80-D102 HydrophobicContact CE2-CB 4.48Å; F80-D102 VanDerWaalsContact CE2-OD1 3.27Å; F80-D102 WeakPolarHBondContact CE2-OD1 3.14Å; F80-D102 HydrophobicContact CZ-CB 3.98Å; K95-D102 WeakPolarHBondContact CD-OD2 3.34Å; K95-D102 WeakPolarHBondContact CE-OD2 3.35Å; K95-D102 IonicContact NZ-OD1 2.81Å; K95-D102 PolarHBondContact NZ-OD1 2.94Å; K95-D102 IonicContact NZ-OD2 2.69Å; K95-D102 PolarHBondContact NZ-OD2 3.05Å; V98-D102 WeakPolarHBondContact CA-OD2 3.1Å; Q99-D102 PolarHBondContact N-OD2 3.02Å; Q99-D102 VanDerWaalsContact O-CB 3.25Å; Q99-D102 WeakPolarHBondContact O-CB 3.45Å; Q99-D102 PolarHBondContact O-N 2.87Å; E100-D102 PolarHBondContact O-N 2.81Å; E100-D102 VanDerWaalsContact O-N 3.12Å; D102-A104 PolarHBondContact O-N 2.96Å; D102-Y106 WeakPolarHBondContact O-CE2 3.15Å; D102-Y106 PolarHBondContact O-OH 2.9Å; D102-Y106 VanDerWaalsContact O-OH 3.13Å
103	S	96.9	Very high	97.4	Very high	82 Å²	82	55.7 Å²	55.7	57%	0.573	33%	0.329	S	S	*	.			trans	-66	99.2	178.7	-59.6	0	0	0	0	111.2	E100 S101	E100-S103 VanDerWaalsContact O-CB 3.26Å; E100-S103 WeakPolarHBondContact O-CB 3.17Å; E100-S103 PolarHBondContact O-N 2.88Å; E100-S103 PolarHBondContact O-OG 3.07Å; S101-S103 VanDerWaalsContact C-N 3.27Å
104	A	97.1	Very high	97.4	Very high	29 Å²	29	58.8 Å²	58.8	24%	0.24	35%	0.348	C	S	.	.	S	Bend	trans	-158.5	170.9	-177.5	0	0	0	0	0	110.8	V55 Q56 Y57 D102 Y106	V55-A104 HydrophobicContact CG2-CB 3.65Å; Q56-A104 WeakPolarHBondContact O-CB 3.48Å; Y57-A104 HydrophobicContact CD1-CB 3.75Å; Y57-A104 HydrophobicContact CE1-CB 3.91Å; Y57-A104 HydrophobicContact CG-CB 4.44Å; D102-A104 PolarHBondContact O-N 2.96Å; A104-Y106 HydrophobicContact CB-CD2 4.48Å; A104-Y106 HydrophobicContact CB-CE2 3.84Å
105	V	97.2	Very high	97.3	Very high	73 Å²	73	57.8 Å²	57.8	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.4	166.6	-170.8	0	0	0	0	108.9	V55 Q56 Y107	V55-V105 CarbonylContact C-O 3.48Å; V55-V105 WeakPolarHBondContact CA-O 3.31Å; Q56-V105 HydrophobicContact CB-CB 4.39Å; Q56-V105 PolarHBondContact N-O 2.8Å; Q56-V105 PolarHBondContact O-N 2.97Å; V105-Y107 HydrophobicContact CB-CE2 3.98Å; V105-Y107 HydrophobicContact CG1-CD2 4.33Å; V105-Y107 HydrophobicContact CG1-CE1 3.86Å; V105-Y107 HydrophobicContact CG1-CE2 3.63Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.19Å
106	Y	97.8	Very high	97.2	Very high	25 Å²	25	60.3 Å²	60.3	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.6	178.1	-67.2	-96.5	0	0	0	109.6	Y54 V55 L65 F80 L93 D102 A104	Y54-Y106 WeakPolarHBondContact O-CA 3.28Å; V55-Y106 HydrophobicContact CB-CD1 4.1Å; V55-Y106 HydrophobicContact CB-CE1 3.96Å; V55-Y106 HydrophobicContact CG2-CD1 4.1Å; V55-Y106 HydrophobicContact CG2-CE1 3.63Å; V55-Y106 HydrophobicContact CG2-CE2 4.45Å; L65-Y106 HydrophobicContact CD2-CD1 4.27Å; L65-Y106 HydrophobicContact CD2-CE1 4.1Å; F80-Y106 HydrophobicContact CD1-CE1 4.42Å; F80-Y106 AromaticContact CE1-CE1 3.96Å; F80-Y106 HydrophobicContact CE1-CE1 3.96Å; F80-Y106 AromaticContact CE1-CZ 3.93Å; F80-Y106 HydrophobicContact CE2-CE1 4.14Å; F80-Y106 WeakPolarHBondContact CE2-OH 3.27Å; F80-Y106 AromaticContact CZ-CE1 3.84Å; F80-Y106 HydrophobicContact CZ-CE1 3.84Å; F80-Y106 HydrophobicContact CZ-CE2 4.45Å; F80-Y106 AromaticContact CZ-CZ 3.53Å; F80-Y106 WeakPolarHBondContact CZ-OH 3.25Å; L93-Y106 HydrophobicContact CD2-CD1 3.44Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.44Å; L93-Y106 HydrophobicContact CD2-CE1 4.03Å; L93-Y106 HydrophobicContact CD2-CG 3.92Å; D102-Y106 WeakPolarHBondContact O-CE2 3.15Å; D102-Y106 PolarHBondContact O-OH 2.9Å; D102-Y106 VanDerWaalsContact O-OH 3.13Å; A104-Y106 HydrophobicContact CB-CD2 4.48Å; A104-Y106 HydrophobicContact CB-CE2 3.84Å
107	Y	97.8	Very high	97.2	Very high	83 Å²	83	58.5 Å²	58.5	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.3	-179.3	-56.8	-85.8	0	0	0	110.3	W53 Y54 Q56 V105	W53-Y107 WeakPolarHBondContact CA-O 3.47Å; W53-Y107 VanDerWaalsContact CE3-C 3.41Å; Y54-Y107 PolarHBondContact N-O 3.01Å; Y54-Y107 PolarHBondContact O-N 2.83Å; Q56-Y107 HydrophobicContact CB-CE2 3.82Å; Q56-Y107 PolarHBondContact OE1-OH 2.81Å; V105-Y107 HydrophobicContact CB-CE2 3.98Å; V105-Y107 HydrophobicContact CG1-CD2 4.33Å; V105-Y107 HydrophobicContact CG1-CE1 3.86Å; V105-Y107 HydrophobicContact CG1-CE2 3.63Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.19Å
108	C	98.2	Very high	97.1	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.8	165.3	-163.8	0	0	0	0	109.7	V22 C41 W53	V22-C108 WeakPolarHBondContact CG2-O 3.45Å; C41-C108 HydrophobicContact CB-CB 3.58Å; C41-C108 WeakPolarHBondContact CB-SG 3.35Å; C41-C108 WeakPolarHBondContact SG-CB 3.42Å; C41-C108 CovalentContact SG-SG 2.02Å; C41-C108 PolarHBondContact SG-SG 3.16Å; W53-C108 HydrophobicContact CD2-CB 4.38Å; W53-C108 HydrophobicContact CE3-CB 4.25Å; W53-C108 HydrophobicContact CH2-CB 3.69Å; W53-C108 HydrophobicContact CZ2-CB 3.8Å; W53-C108 HydrophobicContact CZ3-CB 3.91Å
109	A	97.9	Very high	97	Very high	29 Å²	29	62.2 Å²	62.2	24%	0.24	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	163	174.8	0	0	0	0	0	111.4	F52 Y54	F52-A109 HydrophobicContact CB-CB 4.32Å; F52-A109 PolarHBondContact N-O 3.3Å; F52-A109 PolarHBondContact O-N 3.47Å; Y54-A109 HydrophobicContact CD2-CB 4.45Å; Y54-A109 HydrophobicContact CE2-CB 4.29Å
110	L	97	Very high	97	Very high	31 Å²	31	58.3 Å²	58.3	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.2	176.5	79	90.3	0	0	0	110.2	D20 S21 V22 P49 T50 L51	D20-L110 HydrophobicContact CB-CD1 3.42Å; D20-L110 VanDerWaalsContact CB-CD1 3.42Å; D20-L110 HydrophobicContact CB-CD2 4.06Å; D20-L110 HydrophobicContact CB-CG 4.23Å; S21-L110 WeakPolarHBondContact O-CD2 3.14Å; V22-L110 HydrophobicContact CG1-CB 4.29Å; V22-L110 HydrophobicContact CG1-CD2 3.72Å; V22-L110 HydrophobicContact CG1-CG 4.3Å; P49-L110 HydrophobicContact CB-CB 4.01Å; P49-L110 HydrophobicContact CB-CD1 3.99Å; T50-L110 WeakPolarHBondContact O-CA 3.4Å; L51-L110 HydrophobicContact CD2-CB 3.61Å
111	S	94	Very high	97.1	Very high	92 Å²	92	49.8 Å²	49.8	64%	0.643	31%	0.311	S	S	*	.			trans	-142.9	0	171.1	75	0	0	0	0	112.5	P49 T50 F52	P49-S111 CarbonylContact C-O 3.52Å; P49-S111 VanDerWaalsContact CA-O 3.28Å; P49-S111 WeakPolarHBondContact CA-O 3.28Å; T50-S111 PolarHBondContact N-O 2.85Å; T50-S111 PolarHBondContact O-N 2.86Å; F52-S111 VanDerWaalsContact CE2-OG 3.25Å; F52-S111 WeakPolarHBondContact CE2-OG 3.06Å; F52-S111 WeakPolarHBondContact CZ-OG 3.4Å

Retrieved 111 of 111 residues in 179 ms (Link to these results)

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