A0A075B5Z8_MOUSE Loading...

T cell receptor alpha variable 6-1

AlphaFold DB , UniProt , Accession A0A075B5Z8, Species MOUSE (Mus musculus, Mouse), Gene Trav6-1, Length 112 aa.

						>A0A075B5Z8_MOUSE|A0A075B5Z8|Trav6-1
MNYSPALVTVMLFVFGRTHGDSVTQMQGQVTLSEDDFLFINCTYSTTWYPTLFWYVQYPGEGPQLLLKVTTANNKGISRGFEATYDKGTTSFHLQKASVQESDSAVYYCVLG
					

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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	47.8	Very low	68.1	Low	231 Å²	231	145.8 Å²	145.8	100%	1.138	81%	0.812	S	S	*	*				0	115.7	0	-71	153.2	95	0	0	106.6
2	N	51.4	Low	68.1	Low	169 Å²	169	146.3 Å²	146.3	90%	0.904	81%	0.81	S	S	*	*			trans	-77.5	122.9	-172.3	-66.8	-20.9	0	0	0	109.6	S4	N2-S4 PolarHBondContact O-N 3.14Å
3	Y	62.7	Low	68.1	Low	224 Å²	224	146.5 Å²	146.5	88%	0.878	80%	0.798	S	S	*	*			trans	-79.5	110.2	167.7	-77.9	-86.5	0	0	0	108
4	S	68.5	Low	68.3	Low	111 Å²	111	145.4 Å²	145.4	78%	0.776	80%	0.798	S	S	*	*			trans	-75.9	121	162.8	-169.5	0	0	0	0	107.3	N2 A6	N2-S4 PolarHBondContact O-N 3.14Å; S4-A6 PolarHBondContact O-N 3.21Å
5	P	64.1	Low	67.6	Low	115 Å²	115	147.9 Å²	147.9	75%	0.747	80%	0.798	S	S	*	*			trans	-67	120.3	-178.1	26.1	-31.4	0	0	0	109.3	L7	P5-L7 PolarHBondContact O-N 2.78Å; P5-L7 VanDerWaalsContact O-N 3.12Å
6	A	73.8	Confident	67	Low	93 Å²	93	141.8 Å²	141.8	77%	0.769	78%	0.781	S	S	*	*			trans	-63.7	113.3	170.9	0	0	0	0	0	108.6	S4 V8	S4-A6 PolarHBondContact O-N 3.21Å; A6-V8 PolarHBondContact O-N 2.67Å; A6-V8 VanDerWaalsContact O-N 3.13Å
7	L	74.4	Confident	66.3	Low	159 Å²	159	147.2 Å²	147.2	83%	0.832	79%	0.787	S	S	*	*			trans	-68.6	103.5	176.4	-115.8	159.3	0	0	0	108.9	P5 T9	P5-L7 PolarHBondContact O-N 2.78Å; P5-L7 VanDerWaalsContact O-N 3.12Å; L7-T9 PolarHBondContact O-N 2.87Å
8	V	76	Confident	65.9	Low	124 Å²	124	146.4 Å²	146.4	75%	0.752	79%	0.789	S	S	*	*			trans	-84.8	110.8	173.6	-178.4	0	0	0	0	108.3	A6 V10	A6-V8 PolarHBondContact O-N 2.67Å; A6-V8 VanDerWaalsContact O-N 3.13Å; V8-V10 HydrophobicContact CG1-CG2 4.29Å
9	T	74	Confident	65.8	Low	114 Å²	114	146.6 Å²	146.6	70%	0.699	78%	0.784	S	S	*	*			trans	-97.7	116	174.3	24	0	0	0	0	109.6	L7	L7-T9 PolarHBondContact O-N 2.87Å
10	V	79.7	Confident	66.6	Low	118 Å²	118	141.9 Å²	141.9	72%	0.715	77%	0.771	S	S	*	*			trans	-98.2	105.1	174.8	-178.7	0	0	0	0	108.1	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.29Å; V10-L12 HydrophobicContact CG1-CG 4.38Å
11	M	76.3	Confident	67.7	Low	146 Å²	146	138.2 Å²	138.2	72%	0.719	75%	0.751	S	S	*	*			trans	-90.4	103.7	173.2	-67.1	-163.6	-159.2	0	0	110.2	F13	M11-F13 HydrophobicContact CB-CD2 4.49Å; M11-F13 HydrophobicContact CB-CE2 4.05Å; M11-F13 PolarHBondContact O-N 3.08Å; M11-F13 HydrophobicContact SD-CZ 4.24Å
12	L	68	Low	70	Confident	152 Å²	152	129.8 Å²	129.8	80%	0.796	71%	0.714	S	S	*	*			trans	-83.2	99.7	170.1	-74	163.7	0	0	0	109.2	V10 V14	V10-L12 HydrophobicContact CG1-CG 4.38Å; L12-V14 PolarHBondContact O-N 2.8Å; L12-V14 VanDerWaalsContact O-N 3.08Å
13	F	68.3	Low	72.1	Confident	148 Å²	148	124.1 Å²	124.1	65%	0.649	69%	0.686	S	S	*	*			trans	-74.6	93.9	169.4	-69.4	-82.3	0	0	0	109.5	M11 F15	M11-F13 HydrophobicContact CB-CD2 4.49Å; M11-F13 HydrophobicContact CB-CE2 4.05Å; M11-F13 PolarHBondContact O-N 3.08Å; M11-F13 HydrophobicContact SD-CZ 4.24Å; F13-F15 VanDerWaalsContact C-N 3.3Å; F13-F15 HydrophobicContact CB-CD2 4.04Å; F13-F15 HydrophobicContact CB-CE2 3.66Å; F13-F15 HydrophobicContact CB-CZ 4.23Å; F13-F15 HydrophobicContact CG-CE2 4.37Å; F13-F15 PolarHBondContact O-N 3.16Å; F13-F15 VanDerWaalsContact O-N 3.07Å
14	V	70.8	Confident	73.7	Confident	131 Å²	131	117 Å²	117	79%	0.794	67%	0.666	S	S	*	*			trans	-77.7	88.4	165.8	-170.9	0	0	0	0	106.9	L12 G16	L12-V14 PolarHBondContact O-N 2.8Å; L12-V14 VanDerWaalsContact O-N 3.08Å; V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 3.05Å
15	F	58.7	Low	74.9	Confident	183 Å²	183	115.1 Å²	115.1	80%	0.803	65%	0.645	S	S	*	*			trans	-64.5	97.4	166.5	-69.7	-80.3	0	0	0	107.2	F13	F13-F15 VanDerWaalsContact C-N 3.3Å; F13-F15 HydrophobicContact CB-CD2 4.04Å; F13-F15 HydrophobicContact CB-CE2 3.66Å; F13-F15 HydrophobicContact CB-CZ 4.23Å; F13-F15 HydrophobicContact CG-CE2 4.37Å; F13-F15 PolarHBondContact O-N 3.16Å; F13-F15 VanDerWaalsContact O-N 3.07Å
16	G	57.6	Low	75.8	Confident	51 Å²	51	116.1 Å²	116.1	53%	0.526	64%	0.641	S	S	.	*			trans	-54.5	152.6	174.6	0	0	0	0	0	110.8	V14 T18	V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 3.05Å; G16-T18 PolarHBondContact O-N 2.76Å
17	R	55.8	Low	76.1	Confident	233 Å²	233	114.8 Å²	114.8	88%	0.879	62%	0.619	S	S	*	*			trans	-46.3	115	175.4	-86.5	-180	161.7	161.1	-4.9	110	H19	R17-H19 PolarHBondContact O-N 3.22Å; R17-H19 VanDerWaalsContact O-N 3.08Å
18	T	58.7	Low	76.6	Confident	134 Å²	134	110.6 Å²	110.6	82%	0.822	62%	0.615	S	S	*	*			trans	-68.8	103	166.7	55.1	0	0	0	0	106.8	G16 G20	G16-T18 PolarHBondContact O-N 2.76Å; T18-G20 PolarHBondContact O-N 3.39Å
19	H	64.6	Low	77.3	Confident	150 Å²	150	113.5 Å²	113.5	69%	0.694	62%	0.62	S	S	*	*			trans	-67.3	84.8	163.2	-81.7	-104.1	0	0	0	106.8	R17	R17-H19 PolarHBondContact O-N 3.22Å; R17-H19 VanDerWaalsContact O-N 3.08Å
20	G	80.8	Confident	78.1	Confident	51 Å²	51	111.2 Å²	111.2	53%	0.526	61%	0.606	S	S	.	*			trans	-72.3	134.9	173.5	0	0	0	0	0	109.2	T18	T18-G20 PolarHBondContact O-N 3.39Å
21	D	90.7	Very high	78.8	Confident	66 Å²	66	111.5 Å²	111.5	35%	0.353	61%	0.608	S	S	.	*			trans	-66	141.3	167.7	-61.8	-34	0	0	0	109.3	S45 T46 W48 L111	D21-S45 CarbonylContact C-O 3.57Å; D21-S45 VanDerWaalsContact CA-O 3.28Å; D21-S45 WeakPolarHBondContact CA-O 3.47Å; D21-T46 VanDerWaalsContact OD1-CA 3.26Å; D21-T46 WeakPolarHBondContact OD1-CA 3.44Å; D21-T46 WeakPolarHBondContact OD1-CB 3.05Å; D21-T46 PolarHBondContact OD1-OG1 2.89Å; D21-W48 PolarHBondContact OD2-NE1 3.1Å; D21-L111 HydrophobicContact CB-CD1 3.44Å; D21-L111 VanDerWaalsContact CB-CD1 3.44Å; D21-L111 HydrophobicContact CB-CD2 4.05Å; D21-L111 HydrophobicContact CB-CG 4.37Å
22	S	94.5	Very high	79.7	Confident	53 Å²	53	107.8 Å²	107.8	37%	0.371	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.6	155.4	-179.1	53.8	0	0	0	0	112.7	Y44 S45 L111	S22-Y44 CarbonylContact O-C 3.48Å; S22-Y44 VanDerWaalsContact O-CA 3.24Å; S22-Y44 WeakPolarHBondContact O-CA 3.5Å; S22-S45 PolarHBondContact N-O 3.05Å; S22-S45 PolarHBondContact O-N 3.13Å; S22-L111 VanDerWaalsContact O-CD2 3.22Å; S22-L111 WeakPolarHBondContact O-CD2 3.11Å
23	V	96.1	Very high	81.1	Confident	51 Å²	51	104.4 Å²	104.4	31%	0.309	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.9	145.7	168	-85.2	0	0	0	0	108.7	T43 C109 L111	V23-T43 CarbonylContact C-O 3.55Å; V23-T43 VanDerWaalsContact CA-O 3.26Å; V23-T43 WeakPolarHBondContact CA-O 3.32Å; V23-C109 WeakPolarHBondContact CG2-O 3.04Å; V23-L111 HydrophobicContact CB-CD2 4.44Å; V23-L111 HydrophobicContact CG1-CB 4.08Å; V23-L111 HydrophobicContact CG1-CD2 3.8Å; V23-L111 HydrophobicContact CG1-CG 4.42Å
24	T	96.1	Very high	82.4	Confident	75 Å²	75	103.4 Å²	103.4	46%	0.46	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	120.6	175.2	-59.2	0	0	0	0	109.5	C42 T43	T24-C42 WeakPolarHBondContact O-CA 3.28Å; T24-T43 PolarHBondContact N-O 3.06Å; T24-T43 PolarHBondContact O-N 2.9Å
25	Q	94.5	Very high	83.7	Confident	70 Å²	70	103 Å²	103	33%	0.327	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.4	117.8	170.6	-69.3	-179.4	-117.2	0	0	108.5	N41 C42 W54 Y107 C109	Q25-N41 WeakPolarHBondContact CA-O 3.47Å; Q25-C42 HydrophobicContact CG-CB 4.48Å; Q25-W54 HydrophobicContact CG-CH2 4.48Å; Q25-Y107 PolarHBondContact NE2-O 3.08Å; Q25-C109 HydrophobicContact CG-CB 4.09Å
26	M	82.4	Confident	85.5	Confident	137 Å²	137	97.5 Å²	97.5	68%	0.675	55%	0.549	S	S	*	.			trans	-80.6	-31.3	-175.8	-69.1	-163.6	-68.8	0	0	113.1	N41	M26-N41 HydrophobicContact CB-CB 4.22Å; M26-N41 HydrophobicContact CE-CB 3.9Å
27	Q	80	Confident	87.5	Confident	64 Å²	64	100.5 Å²	100.5	30%	0.299	55%	0.548	S	S	.	.			trans	-88	130.4	-178.6	-73.8	153.6	-64.7	0	0	109.7	V30 F39 I40 N41	Q27-V30 HydrophobicContact CB-CG2 3.96Å; Q27-V30 HydrophobicContact CG-CG2 4.32Å; Q27-F39 PolarHBondContact NE2-O 2.93Å; Q27-F39 PolarHBondContact OE1-O 2.82Å; Q27-F39 VanDerWaalsContact OE1-O 3.13Å; Q27-I40 VanDerWaalsContact OE1-CA 3.3Å; Q27-N41 PolarHBondContact OE1-ND2 2.89Å
28	G	85	Confident	89.4	Confident	72 Å²	72	90 Å²	90	74%	0.742	51%	0.51	S	S	*	.			trans	-81.8	-121.7	166	0	0	0	0	0	110.1
29	Q	90.3	Very high	91.2	Very high	185 Å²	185	86.9 Å²	86.9	86%	0.864	49%	0.485	S	S	*	.			trans	-74.1	132.7	174.6	-173	175.3	-24.3	0	0	111
30	V	91.3	Very high	92.7	Very high	65 Å²	65	80.6 Å²	80.6	39%	0.394	46%	0.456	S	S	.	.			trans	-122.1	135.2	173.9	-174.7	0	0	0	0	107.8	Q27 L32	Q27-V30 HydrophobicContact CB-CG2 3.96Å; Q27-V30 HydrophobicContact CG-CG2 4.32Å; V30-L32 HydrophobicContact CG1-CD1 4.43Å; V30-L32 HydrophobicContact CG1-CD2 3.98Å; V30-L32 HydrophobicContact CG1-CG 3.93Å
31	T	94.5	Very high	93.5	Very high	124 Å²	124	79.7 Å²	79.7	76%	0.761	44%	0.439	S	S	*	.			trans	-116.5	124.2	173.5	-56.3	0	0	0	0	107.9
32	L	95	Very high	93.8	Very high	68 Å²	68	76.6 Å²	76.6	36%	0.356	42%	0.422	S	S	.	.			trans	-126.1	156	179.9	-62.4	178	0	0	0	109.2	V30 D36 L38 V99	V30-L32 HydrophobicContact CG1-CD1 4.43Å; V30-L32 HydrophobicContact CG1-CD2 3.98Å; V30-L32 HydrophobicContact CG1-CG 3.93Å; L32-D36 HydrophobicContact CB-CB 4.01Å; L32-D36 HydrophobicContact CD2-CB 4.41Å; L32-L38 HydrophobicContact CD1-CB 3.98Å; L32-L38 HydrophobicContact CD1-CD1 3.64Å; L32-L38 HydrophobicContact CD1-CG 4.44Å; L32-V99 HydrophobicContact CB-CG2 4.03Å; L32-V99 HydrophobicContact CD1-CG1 4.27Å; L32-V99 HydrophobicContact CD1-CG2 4.35Å
33	S	96.9	Very high	94	Very high	81 Å²	81	76.4 Å²	76.4	57%	0.566	42%	0.419	S	S	*	.			trans	-86.2	162.6	169.5	-49.9	0	0	0	0	110	D36 V99	S33-D36 WeakPolarHBondContact CB-OD2 3.17Å; S33-D36 PolarHBondContact N-OD2 2.72Å; S33-D36 VanDerWaalsContact O-CB 3.25Å; S33-D36 WeakPolarHBondContact O-CB 3.25Å; S33-D36 PolarHBondContact O-N 2.91Å; S33-V99 WeakPolarHBondContact O-CG2 3.32Å
34	E	96.7	Very high	94	Very high	127 Å²	127	74.7 Å²	74.7	59%	0.593	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	146.8	171	-66.8	-166.8	135.8	0	0	111.1	D36 V99	E34-D36 PolarHBondContact O-N 2.62Å; E34-D36 VanDerWaalsContact O-N 3.14Å; E34-V99 WeakPolarHBondContact CA-O 3.4Å
35	D	96.9	Very high	93.9	Very high	123 Å²	123	74.5 Å²	74.5	66%	0.658	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	0	-175.6	-61.6	-48.2	0	0	0	116.5	S98 V99	D35-S98 PolarHBondContact OD1-OG 2.77Å; D35-V99 PolarHBondContact N-O 2.69Å
36	D	97.9	Very high	93.8	Very high	67 Å²	67	72.6 Å²	72.6	36%	0.358	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-67.2	153.5	171.1	-76.8	-19.1	0	0	0	111.7	L32 S33 E34 V99	L32-D36 HydrophobicContact CB-CB 4.01Å; L32-D36 HydrophobicContact CD2-CB 4.41Å; S33-D36 WeakPolarHBondContact CB-OD2 3.17Å; S33-D36 PolarHBondContact N-OD2 2.72Å; S33-D36 VanDerWaalsContact O-CB 3.25Å; S33-D36 WeakPolarHBondContact O-CB 3.25Å; S33-D36 PolarHBondContact O-N 2.91Å; E34-D36 PolarHBondContact O-N 2.62Å; E34-D36 VanDerWaalsContact O-N 3.14Å; D36-V99 HydrophobicContact CB-CG2 4.22Å; D36-V99 WeakPolarHBondContact O-CG2 3.24Å; D36-V99 PolarHBondContact O-N 3Å
37	F	97.8	Very high	94.2	Very high	114 Å²	114	71.6 Å²	71.6	50%	0.5	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-79.4	123.1	172.9	178.3	-105.8	0	0	0	111	F39 Q95 K96	F37-F39 HydrophobicContact CD1-CB 4.3Å; F37-F39 HydrophobicContact CE1-CB 3.75Å; F37-F39 AromaticContact CE1-CD2 4Å; F37-F39 HydrophobicContact CE1-CD2 4Å; F37-F39 HydrophobicContact CE1-CG 4.34Å; F37-F39 HydrophobicContact CZ-CD2 4.26Å; F37-Q95 HydrophobicContact CE2-CB 4.26Å; F37-Q95 HydrophobicContact CZ-CB 4.07Å; F37-Q95 HydrophobicContact CZ-CG 4.19Å; F37-K96 VanDerWaalsContact CD2-O 3.32Å; F37-K96 WeakPolarHBondContact CD2-O 3.46Å
38	L	96.6	Very high	94.7	Very high	14 Å²	14	74 Å²	74	7%	0.073	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.5	171.9	178.3	69.2	0	0	0	110.9	L32 I40 F81 Q95 K96 V99	L32-L38 HydrophobicContact CD1-CB 3.98Å; L32-L38 HydrophobicContact CD1-CD1 3.64Å; L32-L38 HydrophobicContact CD1-CG 4.44Å; L38-I40 HydrophobicContact CD1-CD1 4.13Å; L38-I40 HydrophobicContact CD1-CG1 3.78Å; L38-I40 HydrophobicContact CD2-CD1 4.23Å; L38-I40 HydrophobicContact CD2-CG1 4.34Å; L38-I40 HydrophobicContact CG-CD1 4.43Å; L38-I40 HydrophobicContact CG-CG1 4.04Å; L38-F81 HydrophobicContact CD2-CD1 4.17Å; L38-F81 HydrophobicContact CD2-CE1 3.56Å; L38-Q95 WeakPolarHBondContact O-CA 3.49Å; L38-K96 HydrophobicContact CB-CB 4.05Å; L38-K96 HydrophobicContact CD2-CB 4.3Å; L38-K96 PolarHBondContact N-O 2.84Å; L38-K96 PolarHBondContact O-N 3.02Å; L38-V99 HydrophobicContact CB-CG1 3.51Å; L38-V99 HydrophobicContact CD2-CG1 4.35Å; L38-V99 HydrophobicContact CG-CG1 4.44Å
39	F	96.9	Very high	94.9	Very high	68 Å²	68	77.9 Å²	77.9	30%	0.298	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.1	168.2	-170.9	-86.1	0	0	0	110	Q27 F37 N41 H93 L94 Q95	Q27-F39 PolarHBondContact NE2-O 2.93Å; Q27-F39 PolarHBondContact OE1-O 2.82Å; Q27-F39 VanDerWaalsContact OE1-O 3.13Å; F37-F39 HydrophobicContact CD1-CB 4.3Å; F37-F39 HydrophobicContact CE1-CB 3.75Å; F37-F39 AromaticContact CE1-CD2 4Å; F37-F39 HydrophobicContact CE1-CD2 4Å; F37-F39 HydrophobicContact CE1-CG 4.34Å; F37-F39 HydrophobicContact CZ-CD2 4.26Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.42Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.5Å; F39-H93 HydrophobicContact CE1-CB 4.39Å; F39-H93 HydrophobicContact CE2-CB 4.14Å; F39-H93 HydrophobicContact CZ-CB 3.82Å; F39-H93 AromaticContact CZ-CG 3.77Å; F39-L94 CarbonylContact C-O 3.56Å; F39-L94 WeakPolarHBondContact CA-O 3.35Å; F39-Q95 HydrophobicContact CD2-CG 3.64Å; F39-Q95 HydrophobicContact CE2-CG 4.04Å; F39-Q95 VanDerWaalsContact CE2-NE2 3.26Å
40	I	96.7	Very high	95.2	Very high	17 Å²	17	69 Å²	69	9%	0.087	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.3	175.7	-49.3	-176.7	0	0	0	109.6	Q27 L38 C42 W54 H93 L94 Y107	Q27-I40 VanDerWaalsContact OE1-CA 3.3Å; L38-I40 HydrophobicContact CD1-CD1 4.13Å; L38-I40 HydrophobicContact CD1-CG1 3.78Å; L38-I40 HydrophobicContact CD2-CD1 4.23Å; L38-I40 HydrophobicContact CD2-CG1 4.34Å; L38-I40 HydrophobicContact CG-CD1 4.43Å; L38-I40 HydrophobicContact CG-CG1 4.04Å; I40-C42 PolarHBondContact O-N 2.95Å; I40-W54 HydrophobicContact CB-CH2 4.1Å; I40-W54 HydrophobicContact CG2-CH2 3.63Å; I40-W54 HydrophobicContact CG2-CZ3 4.23Å; I40-H93 VanDerWaalsContact O-CA 3.32Å; I40-H93 WeakPolarHBondContact O-CA 3.23Å; I40-L94 HydrophobicContact CB-CB 4.18Å; I40-L94 HydrophobicContact CD1-CD2 4.25Å; I40-L94 PolarHBondContact N-O 3.05Å; I40-L94 PolarHBondContact O-N 2.95Å; I40-Y107 HydrophobicContact CD1-CD2 4.01Å; I40-Y107 HydrophobicContact CD1-CG 4.05Å
41	N	97	Very high	95.4	Very high	33 Å²	33	67.4 Å²	67.4	18%	0.176	35%	0.352	C	S	.	.			trans	-72.4	125.5	177.4	-76.7	-88	0	0	0	111.6	Q25 M26 Q27 F39 H93	Q25-N41 WeakPolarHBondContact CA-O 3.47Å; M26-N41 HydrophobicContact CB-CB 4.22Å; M26-N41 HydrophobicContact CE-CB 3.9Å; Q27-N41 PolarHBondContact OE1-ND2 2.89Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.42Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.5Å; N41-H93 WeakPolarHBondContact CA-ND1 3.46Å; N41-H93 PolarHBondContact OD1-CE1 3.09Å
42	C	97.4	Very high	95.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.1	162	176.4	0	0	0	0	110	T24 Q25 I40 W54 S91 F92 H93 C109	T24-C42 WeakPolarHBondContact O-CA 3.28Å; Q25-C42 HydrophobicContact CG-CB 4.48Å; I40-C42 PolarHBondContact O-N 2.95Å; C42-W54 HydrophobicContact CB-CH2 3.97Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; C42-S91 WeakPolarHBondContact O-CA 3.49Å; C42-F92 PolarHBondContact O-N 2.69Å; C42-H93 PolarHBondContact N-ND1 2.89Å; C42-C109 HydrophobicContact CB-CB 3.53Å; C42-C109 WeakPolarHBondContact CB-SG 3.12Å; C42-C109 WeakPolarHBondContact SG-CB 3.38Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.12Å
43	T	97.4	Very high	95.8	Very high	49 Å²	49	59.8 Å²	59.8	30%	0.301	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.9	166.3	57.6	0	0	0	0	109.6	V23 T24 T90	V23-T43 CarbonylContact C-O 3.55Å; V23-T43 VanDerWaalsContact CA-O 3.26Å; V23-T43 WeakPolarHBondContact CA-O 3.32Å; T24-T43 PolarHBondContact N-O 3.06Å; T24-T43 PolarHBondContact O-N 2.9Å; T43-T90 CarbonylContact C-O 3.57Å; T43-T90 VanDerWaalsContact CA-O 3.28Å; T43-T90 WeakPolarHBondContact CA-O 3.43Å; T43-T90 WeakPolarHBondContact CB-O 3.49Å
44	Y	95.6	Very high	95.8	Very high	16 Å²	16	56 Å²	56	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.1	178.7	70.7	-92.3	0	0	0	110.6	S22 T46 P50 L52 Y85 T90	S22-Y44 CarbonylContact O-C 3.48Å; S22-Y44 VanDerWaalsContact O-CA 3.24Å; S22-Y44 WeakPolarHBondContact O-CA 3.5Å; Y44-T46 HydrophobicContact CD2-CG2 3.59Å; Y44-T46 HydrophobicContact CE2-CG2 3.64Å; Y44-P50 HydrophobicContact CD2-CG 4.02Å; Y44-P50 HydrophobicContact CE2-CG 3.86Å; Y44-L52 HydrophobicContact CD1-CD1 3.66Å; Y44-L52 HydrophobicContact CD1-CD2 4.05Å; Y44-L52 HydrophobicContact CE1-CD1 3.6Å; Y44-L52 HydrophobicContact CG-CD2 4.16Å; Y44-Y85 HydrophobicContact CE1-CD2 4.19Å; Y44-Y85 AromaticContact CE1-CE2 3.91Å; Y44-Y85 HydrophobicContact CE1-CE2 3.91Å; Y44-Y85 AromaticContact CZ-CE2 3.76Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.32Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.33Å; Y44-T90 WeakPolarHBondContact CD1-O 2.94Å; Y44-T90 HydrophobicContact CE2-CG2 4.38Å; Y44-T90 PolarHBondContact N-O 3.14Å; Y44-T90 WeakPolarHBondContact O-CB 3.04Å
45	S	95.4	Very high	95.9	Very high	70 Å²	70	53.5 Å²	53.5	49%	0.49	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.4	174.6	169.6	0	0	0	0	108.2	D21 S22	D21-S45 CarbonylContact C-O 3.57Å; D21-S45 VanDerWaalsContact CA-O 3.28Å; D21-S45 WeakPolarHBondContact CA-O 3.47Å; S22-S45 PolarHBondContact N-O 3.05Å; S22-S45 PolarHBondContact O-N 3.13Å
46	T	93.1	Very high	96	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.19	23%	0.233	C	C	.	.			trans	-159.8	159.9	179	-177.5	0	0	0	0	110.1	D21 Y44 W48 P50	D21-T46 VanDerWaalsContact OD1-CA 3.26Å; D21-T46 WeakPolarHBondContact OD1-CA 3.44Å; D21-T46 WeakPolarHBondContact OD1-CB 3.05Å; D21-T46 PolarHBondContact OD1-OG1 2.89Å; Y44-T46 HydrophobicContact CD2-CG2 3.59Å; Y44-T46 HydrophobicContact CE2-CG2 3.64Å; T46-W48 PolarHBondContact OG1-N 3.05Å; T46-W48 PolarHBondContact OG1-NE1 3.34Å; T46-P50 HydrophobicContact CG2-CB 4.35Å; T46-P50 HydrophobicContact CG2-CG 3.74Å
47	T	89.9	Confident	96	Very high	116 Å²	116	47.1 Å²	47.1	71%	0.712	23%	0.229	S	C	*	.	S	Bend	trans	-93.8	-6.5	179.4	56.8	0	0	0	0	113.8
48	W	89.6	Confident	95.9	Very high	113 Å²	113	43.9 Å²	43.9	43%	0.428	21%	0.214	S	C	.	.	S	Bend	trans	-125.1	-168.2	-175.2	57.1	-81.9	0	0	0	111.9	D21 T46 P50 G112	D21-W48 PolarHBondContact OD2-NE1 3.1Å; T46-W48 PolarHBondContact OG1-N 3.05Å; T46-W48 PolarHBondContact OG1-NE1 3.34Å; W48-P50 HydrophobicContact CH2-CB 4.35Å; W48-P50 VanDerWaalsContact CZ3-CA 3.46Å; W48-P50 HydrophobicContact CZ3-CB 4.36Å; W48-P50 WeakPolarHBondContact O-CD 3.46Å; W48-G112 VanDerWaalsContact CH2-C 3.43Å; W48-G112 WeakPolarHBondContact CH2-O 3.26Å
49	Y	91.1	Very high	95.9	Very high	154 Å²	154	48.5 Å²	48.5	60%	0.604	24%	0.244	S	C	*	.			trans	-98.5	88.1	-179.6	-66.8	-85.1	0	0	0	110.3	K87	Y49-K87 HydrophobicContact CD1-CD 4.36Å; Y49-K87 HydrophobicContact CE1-CD 3.78Å; Y49-K87 VanDerWaalsContact CE1-CE 3.48Å; Y49-K87 PolarHBondContact OH-NZ 2.8Å
50	P	95	Very high	95.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.			trans	-68.1	153.9	-175.6	31.2	-40.8	0	0	0	111.8	Y44 T46 W48 L52 Y85 L111	Y44-P50 HydrophobicContact CD2-CG 4.02Å; Y44-P50 HydrophobicContact CE2-CG 3.86Å; T46-P50 HydrophobicContact CG2-CB 4.35Å; T46-P50 HydrophobicContact CG2-CG 3.74Å; W48-P50 HydrophobicContact CH2-CB 4.35Å; W48-P50 VanDerWaalsContact CZ3-CA 3.46Å; W48-P50 HydrophobicContact CZ3-CB 4.36Å; W48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-L52 HydrophobicContact CB-CD2 3.97Å; P50-L52 HydrophobicContact CG-CD2 3.8Å; P50-L52 HydrophobicContact CG-CG 4.22Å; P50-Y85 VanDerWaalsContact CD-OH 3.25Å; P50-Y85 WeakPolarHBondContact CD-OH 3.27Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; P50-L111 HydrophobicContact CB-CB 4.36Å
51	T	96.8	Very high	95.9	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.184	29%	0.293	C	S	.	.			trans	-82.8	131.2	154.1	-59.2	0	0	0	0	108.3	F53 K68 T70 G112	T51-F53 HydrophobicContact CG2-CD1 4.48Å; T51-F53 HydrophobicContact CG2-CD2 4.26Å; T51-F53 HydrophobicContact CG2-CE1 3.82Å; T51-F53 HydrophobicContact CG2-CE2 3.52Å; T51-F53 HydrophobicContact CG2-CZ 3.27Å; T51-F53 WeakPolarHBondContact O-CD2 3.32Å; T51-F53 WeakPolarHBondContact O-CE2 3.21Å; T51-K68 HydrophobicContact CG2-CD 4.33Å; T51-K68 HydrophobicContact CG2-CG 3.8Å; T51-T70 HydrophobicContact CG2-CG2 3.67Å; T51-G112 PolarHBondContact N-O 3.42Å; T51-G112 PolarHBondContact O-N 3.22Å
52	L	98.3	Very high	95.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.2	-179.2	-58.6	176.4	0	0	0	110.3	Y44 P50 K68 V69 Y85 F92 L111	Y44-L52 HydrophobicContact CD1-CD1 3.66Å; Y44-L52 HydrophobicContact CD1-CD2 4.05Å; Y44-L52 HydrophobicContact CE1-CD1 3.6Å; Y44-L52 HydrophobicContact CG-CD2 4.16Å; P50-L52 HydrophobicContact CB-CD2 3.97Å; P50-L52 HydrophobicContact CG-CD2 3.8Å; P50-L52 HydrophobicContact CG-CG 4.22Å; L52-K68 CarbonylContact O-C 3.6Å; L52-K68 WeakPolarHBondContact O-CA 3.37Å; L52-V69 PolarHBondContact N-O 2.85Å; L52-V69 PolarHBondContact O-N 2.76Å; L52-Y85 HydrophobicContact CD1-CD1 4.08Å; L52-Y85 HydrophobicContact CD1-CD2 3.36Å; L52-Y85 HydrophobicContact CD1-CE1 4.37Å; L52-Y85 HydrophobicContact CD1-CE2 3.74Å; L52-Y85 HydrophobicContact CD1-CG 3.6Å; L52-Y85 HydrophobicContact CG-CD1 4.39Å; L52-Y85 HydrophobicContact CG-CD2 4.42Å; L52-Y85 HydrophobicContact CG-CG 4.37Å; L52-F92 HydrophobicContact CB-CB 4.4Å; L52-F92 HydrophobicContact CB-CD1 3.51Å; L52-F92 HydrophobicContact CB-CD2 4.05Å; L52-F92 HydrophobicContact CB-CE1 3.54Å; L52-F92 HydrophobicContact CB-CE2 4.12Å; L52-F92 HydrophobicContact CB-CG 3.75Å; L52-F92 HydrophobicContact CB-CZ 3.83Å; L52-F92 HydrophobicContact CD1-CB 3.74Å; L52-F92 HydrophobicContact CD1-CD1 4.42Å; L52-F92 HydrophobicContact CD1-CD2 4.02Å; L52-F92 HydrophobicContact CD1-CG 3.84Å; L52-F92 HydrophobicContact CG-CG 4.4Å; L52-L111 HydrophobicContact CD2-CB 3.83Å
53	F	98.4	Very high	96	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	-175.5	-51.1	-97.9	0	0	0	110	T51 Y55 L65 L67 K68 V110	T51-F53 HydrophobicContact CG2-CD1 4.48Å; T51-F53 HydrophobicContact CG2-CD2 4.26Å; T51-F53 HydrophobicContact CG2-CE1 3.82Å; T51-F53 HydrophobicContact CG2-CE2 3.52Å; T51-F53 HydrophobicContact CG2-CZ 3.27Å; T51-F53 WeakPolarHBondContact O-CD2 3.32Å; T51-F53 WeakPolarHBondContact O-CE2 3.21Å; F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.77Å; F53-Y55 HydrophobicContact CG-CE2 4.26Å; F53-L65 HydrophobicContact CB-CD1 4.29Å; F53-L65 HydrophobicContact CD1-CD1 3.74Å; F53-L65 HydrophobicContact CG-CD1 4.5Å; F53-L67 WeakPolarHBondContact CA-O 3.18Å; F53-K68 HydrophobicContact CD1-CB 3.89Å; F53-K68 HydrophobicContact CD1-CD 4.22Å; F53-K68 HydrophobicContact CD1-CG 3.73Å; F53-K68 HydrophobicContact CE1-CB 4.18Å; F53-K68 HydrophobicContact CE1-CD 3.63Å; F53-K68 HydrophobicContact CE1-CG 3.54Å; F53-K68 HydrophobicContact CZ-CD 4.49Å; F53-K68 HydrophobicContact CZ-CG 4.39Å; F53-V110 HydrophobicContact CB-CB 4.3Å; F53-V110 PolarHBondContact N-O 2.8Å; F53-V110 PolarHBondContact O-N 2.85Å
54	W	98.4	Very high	96	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.6	153.1	-73.8	87.4	0	0	0	109.7	Q25 I40 C42 L66 L67 F92 L94 Y108 C109	Q25-W54 HydrophobicContact CG-CH2 4.48Å; I40-W54 HydrophobicContact CB-CH2 4.1Å; I40-W54 HydrophobicContact CG2-CH2 3.63Å; I40-W54 HydrophobicContact CG2-CZ3 4.23Å; C42-W54 HydrophobicContact CB-CH2 3.97Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.31Å; W54-L66 WeakPolarHBondContact O-CA 3.24Å; W54-L66 WeakPolarHBondContact O-CB 3.36Å; W54-L66 PolarHBondContact O-N 3.49Å; W54-L67 HydrophobicContact CB-CD1 4.38Å; W54-L67 HydrophobicContact CB-CD2 4.31Å; W54-L67 HydrophobicContact CB-CG 3.93Å; W54-L67 HydrophobicContact CG-CD1 4.49Å; W54-L67 HydrophobicContact CG-CD2 4.45Å; W54-L67 HydrophobicContact CG-CG 4.36Å; W54-L67 PolarHBondContact N-O 2.9Å; W54-L67 PolarHBondContact O-N 3.01Å; W54-F92 AromaticContact CD1-CD1 3.48Å; W54-F92 VanDerWaalsContact CD1-CD1 3.48Å; W54-F92 AromaticContact CD1-CE1 3.37Å; W54-F92 HydrophobicContact CG-CE1 4.44Å; W54-F92 WeakPolarHBondContact CZ2-O 3.38Å; W54-F92 AromaticContact NE1-CD1 3.37Å; W54-F92 AromaticContact NE1-CE1 3.79Å; W54-F92 PolarHBondContact NE1-O 3.21Å; W54-L94 HydrophobicContact CB-CD1 4.39Å; W54-L94 HydrophobicContact CD2-CB 3.99Å; W54-L94 HydrophobicContact CD2-CD1 4.24Å; W54-L94 HydrophobicContact CD2-CD2 4.02Å; W54-L94 HydrophobicContact CD2-CG 4.32Å; W54-L94 HydrophobicContact CE3-CB 4.47Å; W54-L94 HydrophobicContact CE3-CD2 4.03Å; W54-L94 HydrophobicContact CG-CB 4.48Å; W54-L94 HydrophobicContact CG-CD1 3.9Å; W54-L94 HydrophobicContact CG-CD2 4.36Å; W54-L94 HydrophobicContact CG-CG 4.49Å; W54-L94 HydrophobicContact CH2-CB 4.16Å; W54-L94 HydrophobicContact CZ2-CB 3.64Å; W54-L94 HydrophobicContact CZ3-CD2 4.44Å; W54-Y108 CarbonylContact C-O 3.59Å; W54-Y108 VanDerWaalsContact CA-O 3.31Å; W54-Y108 WeakPolarHBondContact CA-O 3.14Å; W54-C109 HydrophobicContact CD2-CB 4.14Å; W54-C109 HydrophobicContact CE3-CB 4.09Å; W54-C109 HydrophobicContact CH2-CB 3.66Å; W54-C109 HydrophobicContact CZ2-CB 3.7Å; W54-C109 HydrophobicContact CZ3-CB 3.85Å
55	Y	98.3	Very high	96.1	Very high	75 Å²	75	61.7 Å²	61.7	29%	0.294	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.5	166.4	-74.2	-101.2	0	0	0	109.5	F53 P63 Q64 L65 Y107 Y108 V110	F53-Y55 HydrophobicContact CB-CD2 4.13Å; F53-Y55 HydrophobicContact CB-CE2 3.77Å; F53-Y55 HydrophobicContact CG-CE2 4.26Å; Y55-P63 HydrophobicContact CD1-CB 4.22Å; Y55-Q64 CarbonylContact C-O 3.5Å; Y55-Q64 WeakPolarHBondContact CA-O 3.34Å; Y55-Q64 VanDerWaalsContact CD1-C 3.41Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.47Å; Y55-L65 HydrophobicContact CD1-CB 4.49Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 4.27Å; Y55-L65 HydrophobicContact CE2-CD1 4.06Å; Y55-Y107 CarbonylContact O-C 3.56Å; Y55-Y107 WeakPolarHBondContact O-CA 3.32Å; Y55-Y108 PolarHBondContact N-O 3.49Å; Y55-Y108 PolarHBondContact O-N 3.37Å; Y55-V110 HydrophobicContact CD2-CB 4.47Å; Y55-V110 HydrophobicContact CD2-CG2 3.98Å; Y55-V110 HydrophobicContact CE2-CG2 4.41Å
56	V	98	Very high	96.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.3	172.5	61.4	0	0	0	0	108.8	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CE2 4.22Å; V56-Y58 HydrophobicContact CG2-CE1 4.05Å; V56-Y58 HydrophobicContact CG2-CE2 4.23Å; V56-Q64 HydrophobicContact CG1-CB 4.28Å; V56-Q64 PolarHBondContact N-O 3.46Å; V56-Q64 PolarHBondContact O-N 2.81Å; V56-L66 HydrophobicContact CB-CB 4.29Å; V56-L66 HydrophobicContact CG1-CB 4.08Å; V56-L66 HydrophobicContact CG1-CD1 4.4Å; V56-A105 HydrophobicContact CG2-CB 3.48Å; V56-A105 VanDerWaalsContact CG2-CB 3.48Å; V56-V106 CarbonylContact C-O 3.58Å; V56-V106 WeakPolarHBondContact CA-O 3.37Å; V56-Y107 HydrophobicContact CB-CD1 4.1Å; V56-Y107 HydrophobicContact CB-CE1 3.94Å; V56-Y107 HydrophobicContact CG2-CD1 4.05Å; V56-Y107 HydrophobicContact CG2-CE1 3.57Å
57	Q	98	Very high	96.5	Very high	56 Å²	56	57.6 Å²	57.6	26%	0.262	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	107.6	175.6	-174.9	175.3	11.9	0	0	109.6	E61 A105 V106 Y108	Q57-E61 WeakPolarHBondContact CG-O 3.44Å; Q57-E61 PolarHBondContact NE2-O 3.04Å; Q57-A105 WeakPolarHBondContact O-CB 3.4Å; Q57-V106 HydrophobicContact CB-CB 4.48Å; Q57-V106 PolarHBondContact N-O 3.38Å; Q57-V106 PolarHBondContact O-N 2.8Å; Q57-Y108 HydrophobicContact CB-CE2 3.83Å; Q57-Y108 PolarHBondContact OE1-OH 3.13Å; Q57-Y108 VanDerWaalsContact OE1-OH 3.14Å
58	Y	97.2	Very high	96.9	Very high	46 Å²	46	57.6 Å²	57.6	18%	0.18	31%	0.311	C	S	.	.			trans	-75.9	156.8	174.5	-62.3	-68.8	0	0	0	111.4	V56 G60 E61 S102 A105	V56-Y58 HydrophobicContact CG1-CE2 4.22Å; V56-Y58 HydrophobicContact CG2-CE1 4.05Å; V56-Y58 HydrophobicContact CG2-CE2 4.23Å; Y58-G60 PolarHBondContact O-N 2.87Å; Y58-E61 PolarHBondContact O-N 2.86Å; Y58-S102 WeakPolarHBondContact CE1-O 3.42Å; Y58-A105 HydrophobicContact CD1-CB 3.63Å; Y58-A105 HydrophobicContact CE1-CB 3.85Å; Y58-A105 HydrophobicContact CG-CB 4.42Å
59	P	96.2	Very high	97.3	Very high	111 Å²	111	52.6 Å²	52.6	72%	0.721	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	124.1	177.1	-26.6	35.3	0	0	0	112.4	E61	P59-E61 VanDerWaalsContact C-N 3.26Å; P59-E61 PolarHBondContact O-N 2.81Å
60	G	97	Very high	97.5	Very high	94 Å²	94	49 Å²	49	97%	0.969	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1.4	179.6	0	0	0	0	0	115.4	Y58	Y58-G60 PolarHBondContact O-N 2.87Å
61	E	96.7	Very high	97.6	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	31%	0.308	S	S	.	.	S	Bend	trans	-105.7	166.1	178.1	-62.4	-174.6	-158.7	0	0	112.2	Q57 Y58 P59 Q64	Q57-E61 WeakPolarHBondContact CG-O 3.44Å; Q57-E61 PolarHBondContact NE2-O 3.04Å; Y58-E61 PolarHBondContact O-N 2.86Å; P59-E61 VanDerWaalsContact C-N 3.26Å; P59-E61 PolarHBondContact O-N 2.81Å; E61-Q64 PolarHBondContact OE2-NE2 2.98Å
62	G	97.1	Very high	97.6	Very high	44 Å²	44	52.2 Å²	52.2	45%	0.454	31%	0.309	S	S	.	.			trans	-82.7	164.5	169	0	0	0	0	0	112.3	Q64	G62-Q64 PolarHBondContact O-N 3.47Å
63	P	97.8	Very high	97.5	Very high	80 Å²	80	57.5 Å²	57.5	52%	0.519	34%	0.337	S	S	.	.			trans	-59.3	130.2	174.5	-23.3	33.8	0	0	0	112.3	Y55	Y55-P63 HydrophobicContact CD1-CB 4.22Å
64	Q	98.2	Very high	97.5	Very high	64 Å²	64	60 Å²	60	30%	0.299	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.9	177.4	-64.1	176.2	10.8	0	0	110.2	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.5Å; Y55-Q64 WeakPolarHBondContact CA-O 3.34Å; Y55-Q64 VanDerWaalsContact CD1-C 3.41Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.47Å; V56-Q64 HydrophobicContact CG1-CB 4.28Å; V56-Q64 PolarHBondContact N-O 3.46Å; V56-Q64 PolarHBondContact O-N 2.81Å; E61-Q64 PolarHBondContact OE2-NE2 2.98Å; G62-Q64 PolarHBondContact O-N 3.47Å; Q64-L66 PolarHBondContact O-N 3.29Å
65	L	98.2	Very high	97.4	Very high	88 Å²	88	65.1 Å²	65.1	46%	0.461	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	120.2	174.9	-177.4	72.5	0	0	0	109.5	F53 Y55	F53-L65 HydrophobicContact CB-CD1 4.29Å; F53-L65 HydrophobicContact CD1-CD1 3.74Å; F53-L65 HydrophobicContact CG-CD1 4.5Å; Y55-L65 HydrophobicContact CD1-CB 4.49Å; Y55-L65 HydrophobicContact CE1-CB 4.1Å; Y55-L65 HydrophobicContact CE1-CD1 4.27Å; Y55-L65 HydrophobicContact CE2-CD1 4.06Å
66	L	98.3	Very high	97.4	Very high	5 Å²	5	62 Å²	62	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-54.6	173.3	178.5	61.8	0	0	0	110.4	W54 V56 Q64 S78 R79 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.31Å; W54-L66 WeakPolarHBondContact O-CA 3.24Å; W54-L66 WeakPolarHBondContact O-CB 3.36Å; W54-L66 PolarHBondContact O-N 3.49Å; V56-L66 HydrophobicContact CB-CB 4.29Å; V56-L66 HydrophobicContact CG1-CB 4.08Å; V56-L66 HydrophobicContact CG1-CD1 4.4Å; Q64-L66 PolarHBondContact O-N 3.29Å; L66-S78 WeakPolarHBondContact O-CB 3.31Å; L66-S78 PolarHBondContact O-OG 2.85Å; L66-R79 HydrophobicContact CD1-CB 4.39Å; L66-F81 HydrophobicContact CD1-CD2 3.95Å; L66-F81 HydrophobicContact CD1-CG 4.45Å; L66-F81 HydrophobicContact CD2-CB 4.14Å; L66-F81 HydrophobicContact CD2-CD1 4.28Å; L66-F81 HydrophobicContact CD2-CD2 4.15Å; L66-F81 HydrophobicContact CD2-CG 3.93Å; L66-L94 HydrophobicContact CD2-CD1 4.13Å; L66-L94 HydrophobicContact CD2-CD2 4.04Å; L66-Y107 HydrophobicContact CD2-CD1 3.9Å; L66-Y107 HydrophobicContact CD2-CE1 3.81Å
67	L	97.6	Very high	97.4	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.7	-179.7	68.4	85.1	0	0	0	111.6	F53 W54 V69 A83 F92 L94	F53-L67 WeakPolarHBondContact CA-O 3.18Å; W54-L67 HydrophobicContact CB-CD1 4.38Å; W54-L67 HydrophobicContact CB-CD2 4.31Å; W54-L67 HydrophobicContact CB-CG 3.93Å; W54-L67 HydrophobicContact CG-CD1 4.49Å; W54-L67 HydrophobicContact CG-CD2 4.45Å; W54-L67 HydrophobicContact CG-CG 4.36Å; W54-L67 PolarHBondContact N-O 2.9Å; W54-L67 PolarHBondContact O-N 3.01Å; L67-V69 HydrophobicContact CD1-CG2 4.4Å; L67-A83 HydrophobicContact CD1-CB 3.98Å; L67-A83 HydrophobicContact CD2-CB 3.8Å; L67-F92 HydrophobicContact CD1-CE1 3.43Å; L67-F92 VanDerWaalsContact CD1-CE1 3.43Å; L67-F92 HydrophobicContact CD1-CE2 4.2Å; L67-F92 HydrophobicContact CD1-CZ 3.15Å; L67-L94 HydrophobicContact CD2-CD1 3.43Å; L67-L94 VanDerWaalsContact CD2-CD1 3.43Å
68	K	97.9	Very high	97.4	Very high	116 Å²	116	66.1 Å²	66.1	50%	0.504	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	131.8	180	175.3	-174.2	-175.8	-175.3	0	109.2	T51 L52 F53 T70	T51-K68 HydrophobicContact CG2-CD 4.33Å; T51-K68 HydrophobicContact CG2-CG 3.8Å; L52-K68 CarbonylContact O-C 3.6Å; L52-K68 WeakPolarHBondContact O-CA 3.37Å; F53-K68 HydrophobicContact CD1-CB 3.89Å; F53-K68 HydrophobicContact CD1-CD 4.22Å; F53-K68 HydrophobicContact CD1-CG 3.73Å; F53-K68 HydrophobicContact CE1-CB 4.18Å; F53-K68 HydrophobicContact CE1-CD 3.63Å; F53-K68 HydrophobicContact CE1-CG 3.54Å; F53-K68 HydrophobicContact CZ-CD 4.49Å; F53-K68 HydrophobicContact CZ-CG 4.39Å; K68-T70 HydrophobicContact CD-CG2 4.46Å; K68-T70 HydrophobicContact CG-CG2 4.41Å
69	V	98.3	Very high	97.4	Very high	8 Å²	8	70.4 Å²	70.4	5%	0.048	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.7	173.2	-175.8	0	0	0	0	109.2	L52 L67 N74 G76 Y85 F92	L52-V69 PolarHBondContact N-O 2.85Å; L52-V69 PolarHBondContact O-N 2.76Å; L67-V69 HydrophobicContact CD1-CG2 4.4Å; V69-N74 HydrophobicContact CG1-CB 3.96Å; V69-G76 VanDerWaalsContact CG2-N 3.33Å; V69-Y85 HydrophobicContact CG1-CD1 4.19Å; V69-Y85 HydrophobicContact CG1-CG 4.48Å; V69-F92 HydrophobicContact CB-CE2 3.8Å; V69-F92 HydrophobicContact CB-CZ 3.85Å; V69-F92 HydrophobicContact CG2-CE2 3.67Å; V69-F92 HydrophobicContact CG2-CZ 3.67Å
70	T	97	Very high	97.4	Very high	80 Å²	80	67.3 Å²	67.3	49%	0.491	40%	0.395	S	S	.	.			trans	-99.2	-17.1	-175.4	52	0	0	0	0	113.6	T51 K68	T51-T70 HydrophobicContact CG2-CG2 3.67Å; K68-T70 HydrophobicContact CD-CG2 4.46Å; K68-T70 HydrophobicContact CG-CG2 4.41Å
71	T	96.9	Very high	97.5	Very high	73 Å²	73	62.9 Å²	62.9	45%	0.448	35%	0.349	S	S	.	.	S	Bend	trans	-118.9	128.6	-170.9	-54	0	0	0	0	109.2	N74 Y85	T71-N74 WeakPolarHBondContact CB-ND2 3.47Å; T71-N74 WeakPolarHBondContact O-CB 3.45Å; T71-N74 PolarHBondContact O-N 2.77Å; T71-Y85 WeakPolarHBondContact O-CD1 3.44Å
72	A	95.7	Very high	97.6	Very high	24 Å²	24	61.7 Å²	61.7	20%	0.198	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	143.5	175.5	0	0	0	0	0	111.5	N74 Y85 K87	A72-N74 PolarHBondContact O-N 3.01Å; A72-Y85 HydrophobicContact CB-CE1 4.26Å; A72-Y85 HydrophobicContact CB-CE2 4.34Å; A72-K87 HydrophobicContact CB-CB 3.89Å; A72-K87 HydrophobicContact CB-CD 4.17Å
73	N	96.3	Very high	97.7	Very high	110 Å²	110	59.6 Å²	59.6	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	12.6	-178.3	-48.9	-37.5	0	0	0	115	Y85	N73-Y85 WeakPolarHBondContact CA-O 3Å; N73-Y85 PolarHBondContact N-O 3.34Å
74	N	97.9	Very high	97.7	Very high	85 Å²	85	58.7 Å²	58.7	46%	0.455	32%	0.315	S	S	.	.			trans	-93.5	160.1	168.5	-75.9	-11.6	0	0	0	111.3	V69 T71 A72 Y85	V69-N74 HydrophobicContact CG1-CB 3.96Å; T71-N74 WeakPolarHBondContact CB-ND2 3.47Å; T71-N74 WeakPolarHBondContact O-CB 3.45Å; T71-N74 PolarHBondContact O-N 2.77Å; A72-N74 PolarHBondContact O-N 3.01Å; N74-Y85 PolarHBondContact O-N 2.98Å
75	K	97.8	Very high	97.7	Very high	109 Å²	109	55.8 Å²	55.8	47%	0.474	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.6	178	-177.1	164.8	62.2	158.7	0	110.4	I77 E82 A83	K75-I77 HydrophobicContact CG-CG1 4.29Å; K75-E82 HydrophobicContact CD-CB 4.35Å; K75-E82 WeakPolarHBondContact CD-OE2 3.43Å; K75-E82 IonicContact NZ-OE2 2.77Å; K75-E82 PolarHBondContact NZ-OE2 2.75Å; K75-A83 WeakPolarHBondContact CA-O 3.38Å
76	G	97.9	Very high	97.7	Very high	10 Å²	10	54 Å²	54	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.7	168.9	0	0	0	0	0	110.1	V69 E82 A83	V69-G76 VanDerWaalsContact CG2-N 3.33Å; G76-E82 WeakPolarHBondContact O-CA 3.47Å; G76-A83 PolarHBondContact N-O 3.21Å; G76-A83 PolarHBondContact O-N 2.85Å
77	I	98.2	Very high	97.5	Very high	106 Å²	106	58 Å²	58	54%	0.544	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.3	176.6	-54.1	-179.8	0	0	0	108.2	K75 F81 E82	K75-I77 HydrophobicContact CG-CG1 4.29Å; I77-F81 CarbonylContact C-O 3.49Å; I77-F81 VanDerWaalsContact CA-O 3.27Å; I77-F81 WeakPolarHBondContact CA-O 3.47Å; I77-E82 HydrophobicContact CD1-CG 4.43Å; I77-E82 HydrophobicContact CG1-CG 4.01Å; I77-E82 HydrophobicContact CG2-CG 4.26Å
78	S	98	Very high	97.4	Very high	36 Å²	36	61 Å²	61	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	131.5	178.7	-178.4	0	0	0	0	110.7	L66 G80 F81	L66-S78 WeakPolarHBondContact O-CB 3.31Å; L66-S78 PolarHBondContact O-OG 2.85Å; S78-G80 PolarHBondContact O-N 2.71Å; S78-G80 VanDerWaalsContact O-N 3.1Å; S78-F81 PolarHBondContact N-O 2.85Å; S78-F81 WeakPolarHBondContact O-CA 3.32Å; S78-F81 WeakPolarHBondContact O-CB 3.48Å; S78-F81 PolarHBondContact O-N 2.89Å
79	R	96.2	Very high	97.4	Very high	136 Å²	136	59.1 Å²	59.1	51%	0.513	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	33.1	179.2	-57	179.4	179.5	173.7	-2.1	113.9	L66 F81	L66-R79 HydrophobicContact CD1-CB 4.39Å; R79-F81 HydrophobicContact CB-CD2 4.2Å; R79-F81 WeakPolarHBondContact O-CD2 3.45Å; R79-F81 PolarHBondContact O-N 2.02Å
80	G	97.3	Very high	97.3	Very high	46 Å²	46	61.9 Å²	61.9	47%	0.474	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-6.5	-176	0	0	0	0	0	115	S78	S78-G80 PolarHBondContact O-N 2.71Å; S78-G80 VanDerWaalsContact O-N 3.1Å
81	F	98.5	Very high	97.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.7	170.6	-63.7	-94.3	0	0	0	110.8	L38 L66 I77 S78 R79 L94 Q95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CD1 4.17Å; L38-F81 HydrophobicContact CD2-CE1 3.56Å; L66-F81 HydrophobicContact CD1-CD2 3.95Å; L66-F81 HydrophobicContact CD1-CG 4.45Å; L66-F81 HydrophobicContact CD2-CB 4.14Å; L66-F81 HydrophobicContact CD2-CD1 4.28Å; L66-F81 HydrophobicContact CD2-CD2 4.15Å; L66-F81 HydrophobicContact CD2-CG 3.93Å; I77-F81 CarbonylContact C-O 3.49Å; I77-F81 VanDerWaalsContact CA-O 3.27Å; I77-F81 WeakPolarHBondContact CA-O 3.47Å; S78-F81 PolarHBondContact N-O 2.85Å; S78-F81 WeakPolarHBondContact O-CA 3.32Å; S78-F81 WeakPolarHBondContact O-CB 3.48Å; S78-F81 PolarHBondContact O-N 2.89Å; R79-F81 HydrophobicContact CB-CD2 4.2Å; R79-F81 WeakPolarHBondContact O-CD2 3.45Å; R79-F81 PolarHBondContact O-N 2.02Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CD1-CD1 4.23Å; F81-L94 HydrophobicContact CD1-CD2 3.86Å; F81-L94 HydrophobicContact CD1-CG 3.95Å; F81-L94 HydrophobicContact CE1-CD2 4.34Å; F81-L94 HydrophobicContact CG-CD1 4.48Å; F81-Q95 CarbonylContact C-O 3.49Å; F81-Q95 VanDerWaalsContact CA-O 3.24Å; F81-Q95 WeakPolarHBondContact CA-O 3.49Å; F81-K96 HydrophobicContact CD1-CB 3.86Å; F81-K96 HydrophobicContact CD1-CD 4.17Å; F81-K96 HydrophobicContact CD1-CG 4.46Å; F81-K96 HydrophobicContact CD2-CD 4.14Å; F81-K96 HydrophobicContact CE1-CB 3.99Å; F81-K96 HydrophobicContact CE1-CD 3.83Å; F81-K96 HydrophobicContact CE1-CG 4.48Å; F81-K96 HydrophobicContact CE2-CD 3.78Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.31Å; F81-K96 HydrophobicContact CZ-CD 3.59Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.22Å; F81-D103 HydrophobicContact CZ-CB 4.09Å; F81-D103 WeakPolarHBondContact CZ-OD1 3.28Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 AromaticContact CE1-CE1 3.72Å; F81-Y107 HydrophobicContact CE1-CE1 3.72Å; F81-Y107 AromaticContact CE1-CZ 3.78Å; F81-Y107 HydrophobicContact CE2-CE1 4.45Å; F81-Y107 AromaticContact CZ-CE1 3.81Å; F81-Y107 HydrophobicContact CZ-CE1 3.81Å; F81-Y107 AromaticContact CZ-CZ 3.69Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.25Å
82	E	98.5	Very high	97.3	Very high	66 Å²	66	54.8 Å²	54.8	31%	0.308	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.5	176.1	-53.4	-163.3	178.4	0	0	110.7	K75 G76 I77 L94 Q95	K75-E82 HydrophobicContact CD-CB 4.35Å; K75-E82 WeakPolarHBondContact CD-OE2 3.43Å; K75-E82 IonicContact NZ-OE2 2.77Å; K75-E82 PolarHBondContact NZ-OE2 2.75Å; G76-E82 WeakPolarHBondContact O-CA 3.47Å; I77-E82 HydrophobicContact CD1-CG 4.43Å; I77-E82 HydrophobicContact CG1-CG 4.01Å; I77-E82 HydrophobicContact CG2-CG 4.26Å; E82-L94 CarbonylContact O-C 3.6Å; E82-L94 WeakPolarHBondContact O-CA 3.41Å; E82-Q95 PolarHBondContact N-O 2.93Å; E82-Q95 PolarHBondContact O-N 2.78Å
83	A	98.5	Very high	97.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.6	167.2	0	0	0	0	0	110.9	L67 K75 G76 F92 H93 L94	L67-A83 HydrophobicContact CD1-CB 3.98Å; L67-A83 HydrophobicContact CD2-CB 3.8Å; K75-A83 WeakPolarHBondContact CA-O 3.38Å; G76-A83 PolarHBondContact N-O 3.21Å; G76-A83 PolarHBondContact O-N 2.85Å; A83-F92 HydrophobicContact CB-CD1 4.45Å; A83-F92 HydrophobicContact CB-CD2 3.98Å; A83-F92 HydrophobicContact CB-CE1 4.25Å; A83-F92 HydrophobicContact CB-CE2 3.72Å; A83-F92 HydrophobicContact CB-CG 4.36Å; A83-F92 HydrophobicContact CB-CZ 3.91Å; A83-H93 VanDerWaalsContact CA-O 3.26Å; A83-H93 WeakPolarHBondContact CA-O 3.4Å; A83-H93 VanDerWaalsContact CB-O 3.28Å; A83-H93 WeakPolarHBondContact CB-O 3.26Å; A83-L94 HydrophobicContact CB-CD1 4.27Å
84	T	98.4	Very high	97.5	Very high	61 Å²	61	50.3 Å²	50.3	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.3	177.6	-58.8	0	0	0	0	109.1	D86 F92	T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 3.43Å; T84-F92 WeakPolarHBondContact O-CD2 3.5Å
85	Y	98.1	Very high	97.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	28%	0.279	C	S	.	.			trans	-74.8	90.1	169.5	177.5	-179	0	0	0	108.1	Y44 P50 L52 V69 T71 A72 N73 N74 K87	Y44-Y85 HydrophobicContact CE1-CD2 4.19Å; Y44-Y85 AromaticContact CE1-CE2 3.91Å; Y44-Y85 HydrophobicContact CE1-CE2 3.91Å; Y44-Y85 AromaticContact CZ-CE2 3.76Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.32Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.33Å; P50-Y85 VanDerWaalsContact CD-OH 3.25Å; P50-Y85 WeakPolarHBondContact CD-OH 3.27Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; L52-Y85 HydrophobicContact CD1-CD1 4.08Å; L52-Y85 HydrophobicContact CD1-CD2 3.36Å; L52-Y85 HydrophobicContact CD1-CE1 4.37Å; L52-Y85 HydrophobicContact CD1-CE2 3.74Å; L52-Y85 HydrophobicContact CD1-CG 3.6Å; L52-Y85 HydrophobicContact CG-CD1 4.39Å; L52-Y85 HydrophobicContact CG-CD2 4.42Å; L52-Y85 HydrophobicContact CG-CG 4.37Å; V69-Y85 HydrophobicContact CG1-CD1 4.19Å; V69-Y85 HydrophobicContact CG1-CG 4.48Å; T71-Y85 WeakPolarHBondContact O-CD1 3.44Å; A72-Y85 HydrophobicContact CB-CE1 4.26Å; A72-Y85 HydrophobicContact CB-CE2 4.34Å; N73-Y85 WeakPolarHBondContact CA-O 3Å; N73-Y85 PolarHBondContact N-O 3.34Å; N74-Y85 PolarHBondContact O-N 2.98Å; Y85-K87 HydrophobicContact CE2-CB 4.41Å
86	D	97.7	Very high	97.6	Very high	50 Å²	50	45 Å²	45	27%	0.267	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-91.5	107.7	177.3	-177.7	-11.1	0	0	0	110.4	T84 G88 T89 T90 S91	T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 3.43Å; D86-G88 WeakPolarHBondContact OD1-CA 3.48Å; D86-G88 PolarHBondContact OD1-N 2.92Å; D86-T89 WeakPolarHBondContact CB-OG1 3.34Å; D86-T89 PolarHBondContact OD1-N 2.87Å; D86-T89 VanDerWaalsContact OD1-N 3.09Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.28Å; D86-T89 PolarHBondContact OD2-OG1 2.9Å; D86-T90 WeakPolarHBondContact O-CA 3.43Å; D86-T90 PolarHBondContact O-N 2.95Å; D86-S91 PolarHBondContact N-O 3.02Å; D86-S91 PolarHBondContact O-N 2.85Å
87	K	95.4	Very high	97.6	Very high	90 Å²	90	48.5 Å²	48.5	39%	0.391	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.3	177.5	-178.3	-175.5	175.1	-162.9	0	112.3	Y49 A72 Y85	Y49-K87 HydrophobicContact CD1-CD 4.36Å; Y49-K87 HydrophobicContact CE1-CD 3.78Å; Y49-K87 VanDerWaalsContact CE1-CE 3.48Å; Y49-K87 PolarHBondContact OH-NZ 2.8Å; A72-K87 HydrophobicContact CB-CB 3.89Å; A72-K87 HydrophobicContact CB-CD 4.17Å; Y85-K87 HydrophobicContact CE2-CB 4.41Å
88	G	95.6	Very high	97.5	Very high	72 Å²	72	45.2 Å²	45.2	74%	0.742	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-41.4	-177.4	0	0	0	0	0	112.1	D86	D86-G88 WeakPolarHBondContact OD1-CA 3.48Å; D86-G88 PolarHBondContact OD1-N 2.92Å
89	T	96.5	Very high	97.5	Very high	77 Å²	77	44 Å²	44	47%	0.472	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-0.1	176.5	61.1	0	0	0	0	113.7	D86 S91	D86-T89 WeakPolarHBondContact CB-OG1 3.34Å; D86-T89 PolarHBondContact OD1-N 2.87Å; D86-T89 VanDerWaalsContact OD1-N 3.09Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.28Å; D86-T89 PolarHBondContact OD2-OG1 2.9Å; T89-S91 VanDerWaalsContact C-N 3.32Å; T89-S91 PolarHBondContact O-N 2.98Å; T89-S91 WeakPolarHBondContact OG1-CB 3.26Å; T89-S91 PolarHBondContact OG1-OG 2.87Å
90	T	96.5	Very high	97.6	Very high	65 Å²	65	42.7 Å²	42.7	40%	0.399	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	49.9	-174.5	55.8	0	0	0	0	112.4	T43 Y44 D86	T43-T90 CarbonylContact C-O 3.57Å; T43-T90 VanDerWaalsContact CA-O 3.28Å; T43-T90 WeakPolarHBondContact CA-O 3.43Å; T43-T90 WeakPolarHBondContact CB-O 3.49Å; Y44-T90 WeakPolarHBondContact CD1-O 2.94Å; Y44-T90 HydrophobicContact CE2-CG2 4.38Å; Y44-T90 PolarHBondContact N-O 3.14Å; Y44-T90 WeakPolarHBondContact O-CB 3.04Å; D86-T90 WeakPolarHBondContact O-CA 3.43Å; D86-T90 PolarHBondContact O-N 2.95Å
91	S	97.5	Very high	97.5	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.028	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-131.6	158.4	-171.6	75	0	0	0	0	114.2	C42 D86 T89 H93	C42-S91 WeakPolarHBondContact O-CA 3.49Å; D86-S91 PolarHBondContact N-O 3.02Å; D86-S91 PolarHBondContact O-N 2.85Å; T89-S91 VanDerWaalsContact C-N 3.32Å; T89-S91 PolarHBondContact O-N 2.98Å; T89-S91 WeakPolarHBondContact OG1-CB 3.26Å; T89-S91 PolarHBondContact OG1-OG 2.87Å; S91-H93 WeakPolarHBondContact CB-NE2 3.28Å; S91-H93 PolarHBondContact OG-CD2 2.9Å; S91-H93 PolarHBondContact OG-NE2 2.78Å
92	F	97.7	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.			trans	-149.1	52.3	177.8	-162.7	-129.9	0	0	0	111.3	C42 L52 W54 L67 V69 A83 T84 L94	C42-F92 PolarHBondContact O-N 2.69Å; L52-F92 HydrophobicContact CB-CB 4.4Å; L52-F92 HydrophobicContact CB-CD1 3.51Å; L52-F92 HydrophobicContact CB-CD2 4.05Å; L52-F92 HydrophobicContact CB-CE1 3.54Å; L52-F92 HydrophobicContact CB-CE2 4.12Å; L52-F92 HydrophobicContact CB-CG 3.75Å; L52-F92 HydrophobicContact CB-CZ 3.83Å; L52-F92 HydrophobicContact CD1-CB 3.74Å; L52-F92 HydrophobicContact CD1-CD1 4.42Å; L52-F92 HydrophobicContact CD1-CD2 4.02Å; L52-F92 HydrophobicContact CD1-CG 3.84Å; L52-F92 HydrophobicContact CG-CG 4.4Å; W54-F92 AromaticContact CD1-CD1 3.48Å; W54-F92 VanDerWaalsContact CD1-CD1 3.48Å; W54-F92 AromaticContact CD1-CE1 3.37Å; W54-F92 HydrophobicContact CG-CE1 4.44Å; W54-F92 WeakPolarHBondContact CZ2-O 3.38Å; W54-F92 AromaticContact NE1-CD1 3.37Å; W54-F92 AromaticContact NE1-CE1 3.79Å; W54-F92 PolarHBondContact NE1-O 3.21Å; L67-F92 HydrophobicContact CD1-CE1 3.43Å; L67-F92 VanDerWaalsContact CD1-CE1 3.43Å; L67-F92 HydrophobicContact CD1-CE2 4.2Å; L67-F92 HydrophobicContact CD1-CZ 3.15Å; V69-F92 HydrophobicContact CB-CE2 3.8Å; V69-F92 HydrophobicContact CB-CZ 3.85Å; V69-F92 HydrophobicContact CG2-CE2 3.67Å; V69-F92 HydrophobicContact CG2-CZ 3.67Å; A83-F92 HydrophobicContact CB-CD1 4.45Å; A83-F92 HydrophobicContact CB-CD2 3.98Å; A83-F92 HydrophobicContact CB-CE1 4.25Å; A83-F92 HydrophobicContact CB-CE2 3.72Å; A83-F92 HydrophobicContact CB-CG 4.36Å; A83-F92 HydrophobicContact CB-CZ 3.91Å; T84-F92 WeakPolarHBondContact O-CD2 3.5Å; F92-L94 PolarHBondContact O-N 3.44Å
93	H	98.1	Very high	97.3	Very high	41 Å²	41	49.1 Å²	49.1	19%	0.19	29%	0.291	C	S	.	.			trans	-60	133.6	-177.2	-53.1	-60.3	0	0	0	111.6	F39 I40 N41 C42 A83 S91	F39-H93 HydrophobicContact CE1-CB 4.39Å; F39-H93 HydrophobicContact CE2-CB 4.14Å; F39-H93 HydrophobicContact CZ-CB 3.82Å; F39-H93 AromaticContact CZ-CG 3.77Å; I40-H93 VanDerWaalsContact O-CA 3.32Å; I40-H93 WeakPolarHBondContact O-CA 3.23Å; N41-H93 WeakPolarHBondContact CA-ND1 3.46Å; N41-H93 PolarHBondContact OD1-CE1 3.09Å; C42-H93 PolarHBondContact N-ND1 2.89Å; A83-H93 VanDerWaalsContact CA-O 3.26Å; A83-H93 WeakPolarHBondContact CA-O 3.4Å; A83-H93 VanDerWaalsContact CB-O 3.28Å; A83-H93 WeakPolarHBondContact CB-O 3.26Å; S91-H93 WeakPolarHBondContact CB-NE2 3.28Å; S91-H93 PolarHBondContact OG-CD2 2.9Å; S91-H93 PolarHBondContact OG-NE2 2.78Å
94	L	98.1	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.7	174.1	-168	67.9	0	0	0	109.7	F39 I40 W54 L66 L67 F81 E82 A83 F92 Y107	F39-L94 CarbonylContact C-O 3.56Å; F39-L94 WeakPolarHBondContact CA-O 3.35Å; I40-L94 HydrophobicContact CB-CB 4.18Å; I40-L94 HydrophobicContact CD1-CD2 4.25Å; I40-L94 PolarHBondContact N-O 3.05Å; I40-L94 PolarHBondContact O-N 2.95Å; W54-L94 HydrophobicContact CB-CD1 4.39Å; W54-L94 HydrophobicContact CD2-CB 3.99Å; W54-L94 HydrophobicContact CD2-CD1 4.24Å; W54-L94 HydrophobicContact CD2-CD2 4.02Å; W54-L94 HydrophobicContact CD2-CG 4.32Å; W54-L94 HydrophobicContact CE3-CB 4.47Å; W54-L94 HydrophobicContact CE3-CD2 4.03Å; W54-L94 HydrophobicContact CG-CB 4.48Å; W54-L94 HydrophobicContact CG-CD1 3.9Å; W54-L94 HydrophobicContact CG-CD2 4.36Å; W54-L94 HydrophobicContact CG-CG 4.49Å; W54-L94 HydrophobicContact CH2-CB 4.16Å; W54-L94 HydrophobicContact CZ2-CB 3.64Å; W54-L94 HydrophobicContact CZ3-CD2 4.44Å; L66-L94 HydrophobicContact CD2-CD1 4.13Å; L66-L94 HydrophobicContact CD2-CD2 4.04Å; L67-L94 HydrophobicContact CD2-CD1 3.43Å; L67-L94 VanDerWaalsContact CD2-CD1 3.43Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CD1-CD1 4.23Å; F81-L94 HydrophobicContact CD1-CD2 3.86Å; F81-L94 HydrophobicContact CD1-CG 3.95Å; F81-L94 HydrophobicContact CE1-CD2 4.34Å; F81-L94 HydrophobicContact CG-CD1 4.48Å; E82-L94 CarbonylContact O-C 3.6Å; E82-L94 WeakPolarHBondContact O-CA 3.41Å; A83-L94 HydrophobicContact CB-CD1 4.27Å; F92-L94 PolarHBondContact O-N 3.44Å; L94-Y107 HydrophobicContact CD2-CD1 3.54Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 4.05Å
95	Q	97.9	Very high	97.2	Very high	65 Å²	65	51.3 Å²	51.3	30%	0.304	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.2	-179.5	-55	179.4	16.1	0	0	110.7	F37 L38 F39 F81 E82	F37-Q95 HydrophobicContact CE2-CB 4.26Å; F37-Q95 HydrophobicContact CZ-CB 4.07Å; F37-Q95 HydrophobicContact CZ-CG 4.19Å; L38-Q95 WeakPolarHBondContact O-CA 3.49Å; F39-Q95 HydrophobicContact CD2-CG 3.64Å; F39-Q95 HydrophobicContact CE2-CG 4.04Å; F39-Q95 VanDerWaalsContact CE2-NE2 3.26Å; F81-Q95 CarbonylContact C-O 3.49Å; F81-Q95 VanDerWaalsContact CA-O 3.24Å; F81-Q95 WeakPolarHBondContact CA-O 3.49Å; E82-Q95 PolarHBondContact N-O 2.93Å; E82-Q95 PolarHBondContact O-N 2.78Å
96	K	98.1	Very high	97.1	Very high	18 Å²	18	54.8 Å²	54.8	8%	0.078	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132	167.8	-172.2	172.6	-171.2	-174.5	0	109.2	F37 L38 F81 S98 V99 D103	F37-K96 VanDerWaalsContact CD2-O 3.32Å; F37-K96 WeakPolarHBondContact CD2-O 3.46Å; L38-K96 HydrophobicContact CB-CB 4.05Å; L38-K96 HydrophobicContact CD2-CB 4.3Å; L38-K96 PolarHBondContact N-O 2.84Å; L38-K96 PolarHBondContact O-N 3.02Å; F81-K96 HydrophobicContact CD1-CB 3.86Å; F81-K96 HydrophobicContact CD1-CD 4.17Å; F81-K96 HydrophobicContact CD1-CG 4.46Å; F81-K96 HydrophobicContact CD2-CD 4.14Å; F81-K96 HydrophobicContact CE1-CB 3.99Å; F81-K96 HydrophobicContact CE1-CD 3.83Å; F81-K96 HydrophobicContact CE1-CG 4.48Å; F81-K96 HydrophobicContact CE2-CD 3.78Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.31Å; F81-K96 HydrophobicContact CZ-CD 3.59Å; K96-S98 VanDerWaalsContact CE-O 3.28Å; K96-S98 WeakPolarHBondContact CE-O 3.45Å; K96-S98 WeakPolarHBondContact CG-O 3.41Å; K96-V99 HydrophobicContact CB-CG1 4.43Å; K96-V99 HydrophobicContact CD-CG1 4.43Å; K96-D103 WeakPolarHBondContact CD-OD2 3.37Å; K96-D103 WeakPolarHBondContact CE-OD2 3.17Å; K96-D103 IonicContact NZ-OD1 2.69Å; K96-D103 PolarHBondContact NZ-OD1 3.25Å; K96-D103 IonicContact NZ-OD2 2.62Å; K96-D103 PolarHBondContact NZ-OD2 3.26Å
97	A	98.1	Very high	97.1	Very high	82 Å²	82	53.4 Å²	53.4	68%	0.678	32%	0.323	S	S	*	.	S	Bend	trans	-65.7	-42.7	-172.4	0	0	0	0	0	113.7
98	S	97.7	Very high	97.2	Very high	37 Å²	37	53.5 Å²	53.5	26%	0.259	32%	0.322	S	S	.	.	S	Bend	trans	-139.2	122.2	174.3	140.2	0	0	0	0	107.3	D35 K96	D35-S98 PolarHBondContact OD1-OG 2.77Å; K96-S98 VanDerWaalsContact CE-O 3.28Å; K96-S98 WeakPolarHBondContact CE-O 3.45Å; K96-S98 WeakPolarHBondContact CG-O 3.41Å
99	V	97.8	Very high	97.3	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.073	29%	0.288	C	S	.	.			trans	-85.9	152.4	174.9	-63.4	0	0	0	0	111.7	L32 S33 E34 D35 D36 L38 K96 D103	L32-V99 HydrophobicContact CB-CG2 4.03Å; L32-V99 HydrophobicContact CD1-CG1 4.27Å; L32-V99 HydrophobicContact CD1-CG2 4.35Å; S33-V99 WeakPolarHBondContact O-CG2 3.32Å; E34-V99 WeakPolarHBondContact CA-O 3.4Å; D35-V99 PolarHBondContact N-O 2.69Å; D36-V99 HydrophobicContact CB-CG2 4.22Å; D36-V99 WeakPolarHBondContact O-CG2 3.24Å; D36-V99 PolarHBondContact O-N 3Å; L38-V99 HydrophobicContact CB-CG1 3.51Å; L38-V99 HydrophobicContact CD2-CG1 4.35Å; L38-V99 HydrophobicContact CG-CG1 4.44Å; K96-V99 HydrophobicContact CB-CG1 4.43Å; K96-V99 HydrophobicContact CD-CG1 4.43Å; V99-D103 WeakPolarHBondContact CA-OD2 3.38Å
100	Q	97.5	Very high	97.3	Very high	108 Å²	108	49.2 Å²	49.2	51%	0.505	28%	0.281	S	S	.	.			trans	-122.6	160.1	175.2	-63.5	174.4	15.6	0	0	109.1	S102 D103	Q100-S102 PolarHBondContact O-N 2.61Å; Q100-S102 VanDerWaalsContact O-N 3.08Å; Q100-D103 PolarHBondContact N-OD2 2.8Å; Q100-D103 VanDerWaalsContact O-CB 3.32Å; Q100-D103 WeakPolarHBondContact O-CB 3.41Å; Q100-D103 PolarHBondContact O-N 3.49Å
101	E	95.8	Very high	97.2	Very high	152 Å²	152	47.7 Å²	47.7	71%	0.71	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.1	175.9	-171.2	-179	-175.5	0	0	112.2	D103 S104	E101-D103 PolarHBondContact O-N 2.89Å; E101-D103 VanDerWaalsContact O-N 3.16Å; E101-S104 VanDerWaalsContact O-CB 3.24Å; E101-S104 WeakPolarHBondContact O-CB 3.34Å; E101-S104 PolarHBondContact O-N 3.08Å; E101-S104 PolarHBondContact O-OG 3.01Å
102	S	96	Very high	96.9	Very high	77 Å²	77	50.6 Å²	50.6	54%	0.538	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-65.2	-13	177	63.3	0	0	0	0	115	Y58 Q100	Y58-S102 WeakPolarHBondContact CE1-O 3.42Å; Q100-S102 PolarHBondContact O-N 2.61Å; Q100-S102 VanDerWaalsContact O-N 3.08Å
103	D	97.4	Very high	96.9	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.091	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-82.5	1	173.1	-61.4	-49.5	0	0	0	112.7	F81 K96 V99 Q100 E101 A105 Y107	F81-D103 WeakPolarHBondContact CE2-OD1 3.22Å; F81-D103 HydrophobicContact CZ-CB 4.09Å; F81-D103 WeakPolarHBondContact CZ-OD1 3.28Å; K96-D103 WeakPolarHBondContact CD-OD2 3.37Å; K96-D103 WeakPolarHBondContact CE-OD2 3.17Å; K96-D103 IonicContact NZ-OD1 2.69Å; K96-D103 PolarHBondContact NZ-OD1 3.25Å; K96-D103 IonicContact NZ-OD2 2.62Å; K96-D103 PolarHBondContact NZ-OD2 3.26Å; V99-D103 WeakPolarHBondContact CA-OD2 3.38Å; Q100-D103 PolarHBondContact N-OD2 2.8Å; Q100-D103 VanDerWaalsContact O-CB 3.32Å; Q100-D103 WeakPolarHBondContact O-CB 3.41Å; Q100-D103 PolarHBondContact O-N 3.49Å; E101-D103 PolarHBondContact O-N 2.89Å; E101-D103 VanDerWaalsContact O-N 3.16Å; D103-A105 PolarHBondContact O-N 3.07Å; D103-Y107 WeakPolarHBondContact O-CE2 3.24Å; D103-Y107 PolarHBondContact O-OH 2.87Å
104	S	96.7	Very high	96.8	Very high	79 Å²	79	53.7 Å²	53.7	55%	0.552	32%	0.323	S	S	*	.			trans	-65.7	97.9	176.5	-61	0	0	0	0	110.9	E101	E101-S104 VanDerWaalsContact O-CB 3.24Å; E101-S104 WeakPolarHBondContact O-CB 3.34Å; E101-S104 PolarHBondContact O-N 3.08Å; E101-S104 PolarHBondContact O-OG 3.01Å
105	A	97.1	Very high	96.8	Very high	29 Å²	29	56.7 Å²	56.7	24%	0.24	34%	0.341	C	S	.	.	S	Bend	trans	-156.9	171.9	-175.3	0	0	0	0	0	111.7	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.48Å; V56-A105 VanDerWaalsContact CG2-CB 3.48Å; Q57-A105 WeakPolarHBondContact O-CB 3.4Å; Y58-A105 HydrophobicContact CD1-CB 3.63Å; Y58-A105 HydrophobicContact CE1-CB 3.85Å; Y58-A105 HydrophobicContact CG-CB 4.42Å; D103-A105 PolarHBondContact O-N 3.07Å; A105-Y107 HydrophobicContact CB-CE2 3.91Å
106	V	97	Very high	96.7	Very high	75 Å²	75	56.2 Å²	56.2	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132	167.2	-170.8	0	0	0	0	109.4	V56 Q57 Y108	V56-V106 CarbonylContact C-O 3.58Å; V56-V106 WeakPolarHBondContact CA-O 3.37Å; Q57-V106 HydrophobicContact CB-CB 4.48Å; Q57-V106 PolarHBondContact N-O 3.38Å; Q57-V106 PolarHBondContact O-N 2.8Å; V106-Y108 HydrophobicContact CB-CE2 4Å; V106-Y108 HydrophobicContact CG1-CD1 4.45Å; V106-Y108 HydrophobicContact CG1-CD2 4.39Å; V106-Y108 HydrophobicContact CG1-CE1 3.76Å; V106-Y108 HydrophobicContact CG1-CE2 3.7Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.42Å
107	Y	97.3	Very high	96.6	Very high	22 Å²	22	58.6 Å²	58.6	9%	0.086	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.3	-179.4	-65.1	-91.5	0	0	0	110.6	Q25 I40 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact NE2-O 3.08Å; I40-Y107 HydrophobicContact CD1-CD2 4.01Å; I40-Y107 HydrophobicContact CD1-CG 4.05Å; Y55-Y107 CarbonylContact O-C 3.56Å; Y55-Y107 WeakPolarHBondContact O-CA 3.32Å; V56-Y107 HydrophobicContact CB-CD1 4.1Å; V56-Y107 HydrophobicContact CB-CE1 3.94Å; V56-Y107 HydrophobicContact CG2-CD1 4.05Å; V56-Y107 HydrophobicContact CG2-CE1 3.57Å; L66-Y107 HydrophobicContact CD2-CD1 3.9Å; L66-Y107 HydrophobicContact CD2-CE1 3.81Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 AromaticContact CE1-CE1 3.72Å; F81-Y107 HydrophobicContact CE1-CE1 3.72Å; F81-Y107 AromaticContact CE1-CZ 3.78Å; F81-Y107 HydrophobicContact CE2-CE1 4.45Å; F81-Y107 AromaticContact CZ-CE1 3.81Å; F81-Y107 HydrophobicContact CZ-CE1 3.81Å; F81-Y107 AromaticContact CZ-CZ 3.69Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.25Å; L94-Y107 HydrophobicContact CD2-CD1 3.54Å; L94-Y107 HydrophobicContact CD2-CE1 4.12Å; L94-Y107 HydrophobicContact CD2-CG 4.05Å; D103-Y107 WeakPolarHBondContact O-CE2 3.24Å; D103-Y107 PolarHBondContact O-OH 2.87Å; A105-Y107 HydrophobicContact CB-CE2 3.91Å
108	Y	97	Very high	96.5	Very high	91 Å²	91	57.1 Å²	57.1	36%	0.357	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.5	-178.3	-57.6	-79.6	0	0	0	110.5	W54 Y55 Q57 V106	W54-Y108 CarbonylContact C-O 3.59Å; W54-Y108 VanDerWaalsContact CA-O 3.31Å; W54-Y108 WeakPolarHBondContact CA-O 3.14Å; Y55-Y108 PolarHBondContact N-O 3.49Å; Y55-Y108 PolarHBondContact O-N 3.37Å; Q57-Y108 HydrophobicContact CB-CE2 3.83Å; Q57-Y108 PolarHBondContact OE1-OH 3.13Å; Q57-Y108 VanDerWaalsContact OE1-OH 3.14Å; V106-Y108 HydrophobicContact CB-CE2 4Å; V106-Y108 HydrophobicContact CG1-CD1 4.45Å; V106-Y108 HydrophobicContact CG1-CD2 4.39Å; V106-Y108 HydrophobicContact CG1-CE1 3.76Å; V106-Y108 HydrophobicContact CG1-CE2 3.7Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.42Å
109	C	97.5	Very high	96.4	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.034	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.5	168.2	-168.8	0	0	0	0	108.8	V23 Q25 C42 W54	V23-C109 WeakPolarHBondContact CG2-O 3.04Å; Q25-C109 HydrophobicContact CG-CB 4.09Å; C42-C109 HydrophobicContact CB-CB 3.53Å; C42-C109 WeakPolarHBondContact CB-SG 3.12Å; C42-C109 WeakPolarHBondContact SG-CB 3.38Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.12Å; W54-C109 HydrophobicContact CD2-CB 4.14Å; W54-C109 HydrophobicContact CE3-CB 4.09Å; W54-C109 HydrophobicContact CH2-CB 3.66Å; W54-C109 HydrophobicContact CZ2-CB 3.7Å; W54-C109 HydrophobicContact CZ3-CB 3.85Å
110	V	97.1	Very high	96.3	Very high	55 Å²	55	62.1 Å²	62.1	33%	0.333	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.1	-177.9	-176.3	0	0	0	0	109.2	F53 Y55	F53-V110 HydrophobicContact CB-CB 4.3Å; F53-V110 PolarHBondContact N-O 2.8Å; F53-V110 PolarHBondContact O-N 2.85Å; Y55-V110 HydrophobicContact CD2-CB 4.47Å; Y55-V110 HydrophobicContact CD2-CG2 3.98Å; Y55-V110 HydrophobicContact CE2-CG2 4.41Å
111	L	94.9	Very high	96.2	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.5	167.2	78.8	99.9	0	0	0	108.5	D21 S22 V23 P50 L52	D21-L111 HydrophobicContact CB-CD1 3.44Å; D21-L111 VanDerWaalsContact CB-CD1 3.44Å; D21-L111 HydrophobicContact CB-CD2 4.05Å; D21-L111 HydrophobicContact CB-CG 4.37Å; S22-L111 VanDerWaalsContact O-CD2 3.22Å; S22-L111 WeakPolarHBondContact O-CD2 3.11Å; V23-L111 HydrophobicContact CB-CD2 4.44Å; V23-L111 HydrophobicContact CG1-CB 4.08Å; V23-L111 HydrophobicContact CG1-CD2 3.8Å; V23-L111 HydrophobicContact CG1-CG 4.42Å; P50-L111 HydrophobicContact CB-CB 4.36Å; L52-L111 HydrophobicContact CD2-CB 3.83Å
112	G	90.9	Very high	96.3	Very high	65 Å²	65	49.7 Å²	49.7	67%	0.67	32%	0.32	S	S	*	.			trans	-161.7	0	177.3	0	0	0	0	0	112.9	W48 T51	W48-G112 VanDerWaalsContact CH2-C 3.43Å; W48-G112 WeakPolarHBondContact CH2-O 3.26Å; T51-G112 PolarHBondContact N-O 3.42Å; T51-G112 PolarHBondContact O-N 3.22Å

Retrieved 112 of 112 residues in 109.5 ms (Link to these results)

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